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 ST000539 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Hypoxanthine
Hypoxanthine
ME158695
-
C00262
10.01789696
-
L-1-Pyrroline-3-hydroxy-5-carboxylate
-
ME158743
-
C04281
10.05883507
-
Indole 2
Indole
ME159047
-
C00463
10.13992584
-
L-Phenylalanine
Phenylalanine
ME158691
-
C00079
10.16919198
-
Biotin amide
Biotin amide
ME158769
-
C01893
10.39891103
-
4-Aminobutanal
4-Aminobutyraldehyde
ME159009
-
C00555
10.50862175
-
methiin
-
ME159118
-
-
10.54427456
-
Trp-Trp-Tyr-Tyr
-
ME159129
-
-
10.5704306
-
Stachydrine
Stachydrine
ME158910
-
C10172
10.61631077
-
Thalicsessine
Thalicsessine
ME158848
-
C08714
10.72427046
-
L-Kynurenine
Kynurenine
ME158697
-
C00328
10.83178908
-
Leu-Asp-Gln
Leu-Asp-Gln
ME159234
-
-
10.8694352
-
N1-Methyl-4-pyridone-5-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME158799
-
C05843
10.92355073
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME158755
-
C03955
10.92368272
-
O-Acetylcarnitine
CAR 2:0
ME158753
-
C02571
10.92948221
-
3-Nitrotyrosine
Nitrotyrosine
ME159249
-
-
10.93952342
-
Slaframine
Slaframine
ME158855
-
C06185
10.94030926
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME159056
-
C03680
10.98345222
-
Betaine aldehyde
Betaine aldehyde
ME159037
-
C00576
10.99788646
-
D-Pipecolicacid
D-Pipecolic acid
ME158898
-
-
11.07914595
-
Arg-Met-Asn-His
-
ME158971
-
-
11.09504266
-
3-Butynoate
3-Butynoic acid
ME158760
-
C06144
11.09917401
-
gamma-Glutamyl-beta-cyanoalanine
gamma-Glutamyl-beta-cyanoalanine
ME158704
-
C05711
11.13112876
-
Diethanolamine
Diethanolamine
ME158701
-
C06772
11.150477
-
L-proline amide
-
ME158945
-
-
11.17737307
-
Betaine
Betaine
ME158677
-
C00719
11.18814252
-
L-Leucine
Leucine
ME158683
-
C00123
11.2279198
-
D-Galactosamine 2
Galactosamine
ME158771
-
C02262
11.24388949
-
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME158892
-
-
11.2947876
-
Chelilutine
Chelilutine
ME158958
-
C12229
11.31995519
-
Phe-Gly
Phe-Gly
ME158836
-
-
11.34077129
-
1-deoxynojirimycin
-
ME158834
-
C16843
11.34327808
-
Lys-Pro
Lys-Pro
ME158978
-
-
11.34887004
-
Leu-Gly-Ser
Leu-Gly-Ser
ME158985
-
-
11.35663876
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 2
-
ME159179
-
-
11.41265692
-
Codonopsine
Codonopsine
ME159097
-
C10137
11.46955632
-
Imidazole-4-acetate
Imidazoleacetic acid
ME158779
-
C02835
11.478247
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME159240
-
-
11.48585591
-
N5-acetyl-N5-hydroxy-L-ornithine
2,6-Diaminopimelic acid
ME158936
-
-
11.50087516
-
L-Methionine
Methionine
ME158690
-
C00073
11.5029712
-
Asn-Asn-Asn
Asn-Asn-Asn
ME159200
-
-
11.52227789
-
6-Acetamido-2-oxohexanoate
2-Keto-6-acetamidocaproic acid
ME158788
-
C05548
11.54054239
-
Indole
Indole
ME159039
-
C00463
11.59091441
-
L-Tryptophan
Tryptophan
ME158758
-
C00078
11.59441916
-
1(2H)-Isoquinolinone
-
ME159173
-
C06324
11.59697331
-
Asp-Met-Pro-Pro
-
ME159227
-
-
11.6788198
-
Anthranilate
2-Aminobenzoic acid
ME159080
-
C00108
11.68164868
-
Pro-Pro
Pro-Pro
ME158959
-
-
11.69261315
-
Pyridoxamine
Pyridoxamine
ME158745
-
C00534
11.74885118
-
Succinyl proline
Succinylproline
ME158955
-
C11711
11.75243361
-
Leu-Ser
Leu-Ser
ME158948
-
-
11.76495926
-
Isopyridoxal
Isopyridoxal
ME159054
-
C06051
11.76952346
-
Dopaminequinone
Dopamine quinone
ME158729
-
-
11.85265285
-
Ala-Ala-Ala
Ala-Ala-Ala
ME159223
-
-
11.8721539
-
Ala-Gln-Pro
Ala-Gln-Pro
ME158976
-
-
11.87707247
-
DL-Methionine sulfone
Methionine sulfone
ME158810
-
-
11.87776248
-
Dethiobiotin
Dethiobiotin
ME159051
-
C01909
11.89741616
-
Glu-Met-Thr
Glu-Met-Thr
ME158965
-
-
11.90269798
-
Ala-Asn-Gly
Ala-Asn-Gly
ME159106
-
-
11.93176991
-
(S)-Norcoclaurine
(S)-Norcoclaurine
ME159074
-
C06160
11.97225197
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME158930
-
-
11.97397736
-
mildronate
-
ME159177
-
-
11.98165454
-
N-Ethylmaleimide 2
N-Ethylmaleimide
ME159172
-
C02441
12.07381678
-
D-2-Amino-hexano-6-lactam
Undecylprodigiosin
ME158805
-
C05328
12.10249315
-
Hercynine 2
Hercynine
ME159055
-
C05575
12.15263601
-
Glaucarubolone
Glaucarubolone
ME158801
-
C08764
12.17655865
-
Glu-Val
Glu-Val
ME159134
-
-
12.21524435
-
Leu-Ala
Leu-Ala
ME158913
-
-
12.21696696
-
L-Pipecolate
Pipecolic acid
ME158740
-
C00408
12.29039533
-
Gyromitrin
Gyromitrin
ME159170
-
C08305
12.29897692
-
Asn-Leu-Asn-Tyr
-
ME158864
-
-
12.35193833
-
Ala-Asp-Gly 2
Ala-Asp-Gly
ME159108
-
-
12.36408416
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME158708
-
C15532
12.36629233
-
Thr-Cys
Thr-Cys
ME158896
-
-
12.38357981
-
L-Valine
Valine
ME158731
-
C00183
12.40294661
-
L-1-Pyrroline-3-hydroxy-5-carboxylate 2
-
ME158997
-
C04281
12.44371591
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME158782
-
C02727
12.50665285
-
Met-Gly
Met-Gly
ME159242
-
-
12.5217249
-
Met-Ala-Gly
Met-Ala-Gly
ME159175
-
-
12.530078
-
Casein K
-
ME158830
-
C01483
12.53274697
-
Leu-Asn-Ser
Leu-Asn-Ser
ME159083
-
-
12.5338047
-
Erythrulose 1-phosphate
-
ME159093
-
C03394
12.56614852
-
Asn-Tyr
Asn-Tyr
ME159085
-
-
12.64349852
-
Linatine
Linatine
ME158996
-
C05939
12.64640542
-
Met-Met-Val
Met-Met-Val
ME158835
-
-
12.64815776
-
Ile-Met-Met-Thr
-
ME159115
-
-
12.66480879
-
Leu-Leu-Pro
Leu-Leu-Pro
ME159127
-
-
12.68183491
-
Met-Ala-Tyr
Met-Ala-Tyr
ME159241
-
-
12.69181567
-
L-Proline
Proline
ME158674
-
C00148
12.70588045
-
N2-Succinyl-L-arginine
N2-Succinoylarginine
ME158990
-
C03296
12.88011427
-
Linamarin
Linamarin
ME158722
-
C01594
12.893081
-
Ectoine
Ectoine
ME158786
-
C06231
12.89963326
-
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME158734
-
C01152
12.90369608
-
Aspidofractine
-
ME159224
-
C09040
12.92707529
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME158963
-
-
12.93875687
-
Ile-Pro
Ile-Pro
ME158899
-
-
12.93975751
-
L-Tyrosine
Tyrosine
ME158672
-
C00082
12.98096692
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME158914
-
-
12.98356021
-
Ala-Lys-Asn-His
-
ME158802
-
-
12.98904237
-
Met-Thr-Asp
Met-Thr-Asp
ME159189
-
-
13.09090246
-
Ala-Asp-Cys-Gly
-
ME159211
-
-
13.11350206
-
Epinephrinesulfate
Epinephrine sulfate
ME158840
-
-
13.13359824
-
L-Carnitine
Carnitine
ME158676
-
C00487
13.1459692
-
DL-2-Aminooctanoicacid
2-Aminocaprylic acid
ME159152
-
-
13.17095735
-
Ala-Leu-Thr-Pro
-
ME158940
-
-
13.18214042
-
N-(2,3-Dihydroxybenzoyl)-L-serine
N-(2,3-Dihydroxybenzoyl)-L-serine
ME158989
-
C04204
13.18266844
-
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME158756
-
C01181
13.2100503
-
Asp-Gly-Pro
Asp-Gly-Pro
ME158833
-
-
13.23519223
-
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME158949
-
C03901
13.2486113
-
N-acetyl -D- glucosaminitol 2
N-Acetyl-glucosaminitol
ME158934
-
-
13.285909
-
Val-Ser
Val-Ser
ME159146
-
-
13.30661269
-
L-glycyl-L-hydroxyproline
L-Glycyl-L-hydroxyproline
ME159162
-
-
13.33146709
-
Sanguinarine
Sanguinarine
ME158938
-
C06162
13.34066661
-
Cyclo(deltaAla-L-Val)
-
ME158857
-
C11846
13.3499655
-
L-Methionine S-oxide
Methionine sulfoxide
ME158781
-
C02989
13.3608234
-
N-Ethylglycocyamine
N-Ethylglycocyamine
ME158962
-
C02852
13.42530117
-
Retronecine
Retronecine
ME158915
-
C06177
13.43616515
-
Hercynine
Hercynine
ME158735
-
C05575
13.4501465
-
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME158886
-
C06034
13.45425925
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME158696
-
C00021
13.47281389
-
AMP
AMP
ME158694
-
C00020
13.47856972
-
Val-Gly
Val-Gly
ME158950
-
-
13.50702388
-
Asp-Gly-Pro-Ser
-
ME159248
-
-
13.50956558
-
Cys-Met-Tyr-Tyr
-
ME158826
-
-
13.50997569
-
N6-Hydroxy-L-lysine
N(6)-Hydroxy-lysine
ME159077
-
C01028
13.51597688
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME159048
-
C03415
13.52491118
-
3-Methoxyanthranilate
3-Methoxyanthranilic acid
ME158770
-
C05831
13.53645366
-
Pro-Ser-Ser
Pro-Ser-Ser
ME158851
-
-
13.54554495
-
Leu-Asp
Leu-Asp
ME158941
-
-
13.57374178
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME159022
-
C00439
13.58382444
-
3-beta-D-Galactosyl-sn-glycerol
Galactosylglycerol
ME159053
-
C05401
13.60705711
-
NAD+
NAD+
ME158664
-
C00003
13.63068867
-
Diacetylhydrazine
-
ME159078
-
C16622
13.63076301
-
N,N-Dimethylglycine
Dimethylglycine
ME159050
-
C01026
13.6547054
-
ZAPA
ZAPA
ME159094
-
C13695
13.66520114
-
Ala-Pro
Ala-Pro
ME158924
-
-
13.69784868
-
Neopterin
Neopterin
ME158702
-
C05926
13.70068853
-
Picolinamide
Picolinamide
ME159157
-
C01950
13.70104079
-
L-Lysine 1,6-lactam
L-2-aminohexano-6-lactam
ME158843
-
C02837
13.71148231
-
5-guanidino-3-methyl-2-oxo-pentanoate
-
ME158865
-
-
13.72111635
-
3-Hydroxy-L-kynurenine
Hydroxykynurenine
ME159064
-
C03227
13.74068843
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME158772
-
C12270
13.77499825
-
Asp-Pro-Ser
Asp-Pro-Ser
ME158879
-
-
13.82780226
-
Glycylprolylhydroxyproline
-
ME159225
-
-
13.83018644
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME158687
-
C00624
13.84165579
-
Asn-Cys-Pro-Ser
-
ME159231
-
-
13.8554368
-
Thr-Ala
Thr-Ala
ME158870
-
-
13.86560244
-
Met-Met-Met
Met-Met-Met
ME159178
-
-
13.87739853
-
[FA (5:2)] 2,4-pentadienoic acid
beta-Vinyl acrylic acid
ME159176
-
-
13.87947941
-
Val-Pro-Arg
Val-Pro-Arg
ME158931
-
-
13.88794284
-
Leu-Val-Gly
Leu-Val-Gly
ME159239
-
-
13.90879678
-
Lys-Trp-Asn
Lys-Trp-Asn
ME159197
-
-
13.96462919
-
Asn-Pro
Asn-Pro
ME158929
-
-
14.002902
-
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME158882
-
C01223
14.02456709
-
L-Tyrosyl-L-arginine
Tyr-Arg
ME159246
-
C02993
14.07324496
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME159159
-
C05674
14.07573311
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME159041
-
C03771
14.08402968
-
p-aminobenzoyl glutamate
4-Aminobenzoylglutamic acid
ME159095
-
-
14.09636399
-
O-Succinyl-L-homoserine 2
o-Succinylhomoserine
ME158785
-
C01118
14.11319766
-
Homocystine
Homocystine
ME158794
-
C01817
14.13388955
-
Val-Asn-Asp
Val-Asn-Asp
ME159103
-
-
14.14770593
-
Pro-Arg-His 2
Pro-Arg-His
ME158933
-
-
14.17730149
-
Ala-Asp-Pro-Ser
-
ME159243
-
-
14.22325638
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME158682
-
C00670
14.30695632
-
L-Glutamate
Glutamic acid
ME158665
-
C00025
14.37138765
-
Leu-Lys-Asp
Leu-Lys-Asp
ME159163
-
-
14.37846146
-
Thr-Ala-Asp
Thr-Ala-Asp
ME159124
-
-
14.37987924
-
Glu-Thr
Glu-Thr
ME158866
-
-
14.41357807
-
Arg-Leu-Asn-Asp
-
ME158821
-
-
14.47351036
-
Ala-Asp-Gly
Ala-Asp-Gly
ME158921
-
-
14.48818611
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME159057
-
C03167
14.49328812
-
Creatine
Creatine
ME158741
-
C00300
14.50209157
-
2-Dehydro-3-deoxy-L-rhamnonate
-
ME158994
-
C03979
14.52076092
-
O-Acetylneuraminic acid
-
ME158838
-
C03525
14.52954802
-
Furfural
2-Furancarboxaldehyde
ME159136
-
C14279
14.53298516
-
Choline phosphate
Choline phosphate
ME158767
-
C00588
14.60087019
-
L-Alanine
Alanine
ME158669
-
C00041
14.60427454
-
5,6-Dihydrothymine
Dihydrothymine
ME158759
-
C00906
14.60581917
-
N-acetyl-(L)-arginine
N-Acetylarginine
ME158832
-
-
14.61278401
-
1,6-anhydrous-N-Acetylmuramyl-tetrapeptide
-
ME158883
-
-
14.62936601
-
L-Histidine
Histidine
ME158671
-
C00135
14.64125357
-
Piperidine
Piperidine
ME158724
-
C01746
14.66099066
-
Thiomorpholine 3-carboxylate 2
Thiomorpholine-3-carboxylic acid
ME158969
-
C03901
14.66267427
-
2,3-Dimethylmaleate
Dimethyl maleate
ME158999
-
C00922
14.72623502
-
Ergothioneine
Ergothioneine
ME158748
-
C05570
14.74249843
-
Glu-Pro
Glu-Pro
ME159147
-
-
14.77418619
-
Asp-Cys-Gln
Asp-Cys-Gln
ME159164
-
-
14.78156242
-
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME159003
-
C05130
14.81178269
-
Phosphocreatine
Phosphocreatine
ME158673
-
C02305
14.82728228
-
N2-Acetyl-L-lysine
N(2)-Acetyllysine
ME158685
-
C12989
14.83671119
-
cyclo-dopa 5-O-glucoside
cyclo-Dopa 5-O-glucoside
ME158977
-
C17751
14.88732479
-
L-Glutamine
Glutamine
ME158661
-
C00064
14.89463111
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME159035
-
C05673
14.98234833
-
CMP
CMP
ME158798
-
C00055
14.98462653
-
1-5-diazabicyclononane 2
-
ME159192
-
-
15.01040552
-
Glu-Gly
Glu-Gly
ME159232
-
-
15.01260705
-
L-Homocitrulline
Homocitrulline
ME158894
-
C02427
15.03719952
-
CDP-choline
CDP-choline
ME158752
-
C00307
15.05159702
-
a Cysteine adduct 2
-
ME158825
-
-
15.07814877
-
Ala-Ser-Ser
Ala-Ser-Ser
ME159148
-
-
15.09065468
-
Bis(glycerophospho)-glycerol
-
ME158975
-
C03853
15.108523
-
allopurinol
Allopurinol
ME159181
-
D00224
15.1177464
-
Octylamine
Octylamine
ME158964
-
C01740
15.14426246
-
N-Carbamyl-L-glutamate
Carglumic acid
ME159045
-
C05829
15.14780764
-
L-Asparagine
Asparagine
ME158667
-
C00152
15.182524
-
4-PIOL
-
ME158850
-
C13710
15.20381495
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME158774
-
C01118
15.26521722
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME159005
-
C02659
15.27658548
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME158776
-
C01233
15.32512143
-
N-Acetyl-aspartyl-glutamate 3
N-Acetyl-Asp-Glu
ME159031
-
C12270
15.42771163
-
[FA methyl(4:1)] 3-methyl-2-butenoic acid
beta,beta-Dimethyl acrylic acid
ME158900
-
-
15.50559801
-
N-Acetylornithine
N-Acetylornithine
ME158688
-
C00437
15.50939203
-
Dihydroneopterin phosphate
Dihydroneopterin phosphate
ME159076
-
C05925
15.5828762
-
Ovothiol disulfide
-
ME158939
-
-
15.59151707
-
Carnosine
Carnosine
ME159067
-
C00386
15.59267734
-
Asn-Asp
Asn-Asp
ME159098
-
-
15.59498429
-
Asp-Gly-Arg 2
Asp-Gly-Arg
ME159158
-
-
15.61781313
-
4-Aminobutanoate
gamma-Aminobutyric acid
ME158675
-
C00334
15.6304563
-
Guanidinoacetate
Guanidoacetic acid
ME159052
-
C00581
15.64788827
-
Lys-Asn-Gly
Lys-Asn-Gly
ME159089
-
-
15.65395358
-
L-Serine
Serine
ME158679
-
C00065
15.66954309
-
Ala-Asp-Asp-Gln
-
ME158984
-
-
15.72487975
-
L-Citrulline
Citrulline
ME158689
-
C00327
15.76207046
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME158736
-
C04299
15.76687148
-
Acetylcholine
Acetylcholine
ME158780
-
C01996
15.80559804
-
S-Succinylglutathione
S-Succinylglutathione
ME158935
-
C03174
15.90419508
-
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME158991
-
C05695
15.93131244
-
metabolite 3
-
ME159123
-
-
15.93179868
-
Lactosamine
Lactosamine
ME158784
-
C00203
15.94079514
-
Deacetoxycephalosporin C
Deacetoxycephalosporin C
ME158795
-
C06565
15.95097816
-
Lys-Asp-Gly
Lys-Asp-Gly
ME158917
-
-
15.97017844
-
Fructoselysine 6-phosphate
Fructoselysine 6-phosphate
ME159088
-
C16489
16.02137502
-
CDP-ethanolamine
CDP-Ethanolamine
ME159070
-
C00570
16.03755007
-
UDP
UDP
ME158762
-
C00015
16.08096802
-
O-Phospho-L-serine
Phosphoserine
ME158792
-
C01005
16.09389427
-
Maltose
Maltose
ME158797
-
C00208
16.1642471
-
1-deoxyxylonojirimycin
-
ME158878
-
-
16.16865889
-
Met-Trp-Trp-Tyr
-
ME158988
-
-
16.17775133
-
Cys-Lys-Met-Gln
-
ME159196
-
-
16.22977356
-
ATP
ATP
ME158660
-
C00002
16.25996828
-
Lys-Ser-Ser-Ser
-
ME159226
-
-
16.27735679
-
CDP-ribitol
CDP-ribitol
ME159071
-
C00789
16.33922933
-
Folate
Folic acid
ME158703
-
C00504
16.34108188
-
Asp-Gly
Asp-Gly
ME158981
-
-
16.3521298
-
NADP+
NADP+
ME158668
-
C00006
16.43895711
-
Asn-Asn-Pro-His
-
ME159184
-
-
16.44646899
-
beta-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME158706
-
C05340
16.4730759
-
2,3,4,5-Tetrahydrodipicolinate
-
ME159068
-
C03972
16.4942098
-
Leu-Thr-Thr
Leu-Thr-Thr
ME158979
-
-
16.50120912
-
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME158739
-
C00438
16.50557596
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME158747
-
C00019
16.51303136
-
N-Acetyl-aspartyl-glutamate 2
N-Acetyl-Asp-Glu
ME159069
-
C12270
16.51642973
-
Glu-Arg 2
Glu-Arg
ME159218
-
-
16.59734199
-
Acetyl phosphate
Acetylphosphate
ME158707
-
C00227
16.61650169
-
Cys-Thr-Cys-Cys
-
ME159233
-
-
16.73194434
-
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME158828
-
-
16.73209012
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME158793
-
C00352
16.79879342
-
L-a-glutamyl-L-Lysine
-
ME158973
-
-
16.81688887
-
L-Homocitrulline 2
Homocitrulline
ME159183
-
C02427
16.94304807
-
Arg-Asp-Asp-Gly
-
ME159121
-
-
16.97935244
-
L-2-Amino-6-oxoheptanedioate
-
ME158778
-
C03871
17.01858411
-
Ala-Asp-Cys-Ser
-
ME158853
-
-
17.02840446
-
Glutathione disulfide
Oxidized glutathione
ME158721
-
C00127
17.10050793
-
Glu-Asp
Glu-Asp
ME159161
-
-
17.10819202
-
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME159194
-
C04210
17.16224991
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME158732
-
C04020
17.19901558
-
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME159034
-
C04137
17.20118926
-
Acetylagmatine
Acetylagmatine
ME159236
-
C02131
17.25695311
-
Arg-Met-Asn-Gln
-
ME159238
-
-
17.27276763
-
Fructoselysine 2
Fructosyllysine
ME159126
-
C16488
17.29226272
-
metabolite 4
-
ME159208
-
-
17.29773998
-
Arg-Met-Val-Asp
-
ME159237
-
-
17.33482277
-
N1,N8-diacetylspermidine
N1,N8-Diacetylspermidine
ME159167
-
-
17.46850004
-
Asp-Leu-Ser-His
-
ME158980
-
-
17.48881223
-
3-(ADP)-2-phosphoglycerate
-
ME159084
-
C03673
17.50491396
-
Arg-Asn-Pro-His
-
ME158874
-
-
17.5265406
-
Asp-Gly-Arg
Asp-Gly-Arg
ME159141
-
-
17.61968851
-
a Cysteine adduct
-
ME158815
-
-
17.66450678
-
GDP
GDP
ME158709
-
C00035
17.66519939
-
2-Methylcholine
2-Methylcholine
ME158951
-
C02224
17.81285557
-
N-(3-acetamidopropyl)-4-aminobutanal
N-(3-Acetamidopropyl)-4-aminobutanal
ME158856
-
-
18.02631753
-
N-dimethylethanolamine
-
ME158908
-
-
18.03324274
-
Asp-Arg
Asp-Arg
ME159212
-
-
18.03842537
-
Glu-Arg
Glu-Arg
ME158804
-
-
18.07721943
-
CTP
CTP
ME158796
-
C00063
18.14905303
-
Asp-Asp-Gly
Asp-Asp-Gly
ME158842
-
-
18.17233063
-
Met-Met-Gln
Met-Met-Gln
ME159244
-
-
18.17742067
-
Glu-Glu-Glu
Glu-Glu-Glu
ME158854
-
-
18.44773539
-
Fructoselysine
Fructosyllysine
ME158887
-
C16488
18.4614323
-
Glu-Lys-Val
Glu-Lys-Val
ME158932
-
-
18.70945084
-
Gln-Leu-Lys-His
-
ME158972
-
-
18.74938276
-
GTP
GTP
ME158698
-
C00044
19.07566652
-
Diethanolamine 2
Diethanolamine
ME158705
-
C06772
19.71880179
-
N-Acetylputrescine
N-Acetylputrescine
ME159013
-
C02714
19.83686877
-
beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME158839
-
-
19.91343721
-
Gamma-Aminobutyryl-lysine
gamma-Aminobutyryl-lysine
ME158983
-
-
20.35641333
-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME158720
-
C01259
20.4179445
-
Choline
Choline
ME158686
-
C00114
20.73626629
-
Ala-Leu-Lys-Pro
-
ME158859
-
-
21.05014202
-
psicoselysine
Psicosyllysine
ME158906
-
-
21.21234821
-
Leu-Lys-Pro
Leu-Lys-Pro
ME158867
-
-
21.25830051
-
Thiamin
Thiamine
ME158666
-
C00378
21.39037499
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME158738
-
C05545
21.4586391
-
1-5-diazabicyclononane
-
ME158806
-
-
21.46949085
-
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME158733
-
C03626
21.56976556
-
L-Pipecolate 2
Pipecolic acid
ME159036
-
C00408
21.65990505
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME158763
-
C03793
21.68670054
-
Lys-Val
Lys-Val
ME158871
-
-
22.01850543
-
L-Indospicine
Indospicine
ME158916
-
C08288
22.05915747
-
L-Ornithine
Ornithine
ME158681
-
C00077
22.19392526
-
N6-Methyl-L-lysine
N(6)-Methyllysine
ME158869
-
C02728
22.37439395
-
5-Aminopentanamide
5-Aminopentanamide
ME158726
-
C00990
22.71002497
-
L-Lysine
Lysine
ME158663
-
C00047
22.86952234
-
Lys-Lys-Met-Pro
-
ME158818
-
-
23.06678232
-
Homoarginine
Homoarginine
ME158862
-
C01924
23.17226273
-
nicotinamide riboside
Nicotinamide riboside
ME158719
-
-
23.73487063
-
L-Arginine
Arginine
ME158662
-
C00062
24.14975721
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME158757
-
C02918
24.49098027
-
Lichenin
Lichenin
ME159154
-
C00478
25.33369157
-
D-Galactosamine
Galactosamine
ME158716
-
C02262
26.19303807
-
Pro-Arg-His
Pro-Arg-His
ME158885
-
-
27.19667328
-
4-Guanidinobutanal
4-Guanidinobutanal
ME159040
-
C02647
27.74677821
-
[PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...
-
ME159015
-
C00350
3.591685799
-
PC(14:1(9Z)/15:0)
PC 14:1(9Z)/15:0*
ME158712
-
C00157
3.60061597
-
[PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-p...
PE 16:0/16:0
ME159046
-
C00350
3.614187643
-
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:5(7Z,10Z,13Z,16Z,19Z)*
ME158998
-
C02737
3.627812011
-
[PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PS 18:0_20:4
ME158715
-
C02737
3.639026775
-
PS(40:4)
PS 40:4
ME159132
-
-
3.640690883
-
PS(38:5)
PS 38:5
ME159120
-
-
3.655850828
-
Verticine
Peimine
ME159182
-
C10830
3.702298645
-
N-palmitoyl phenylalanine
N-Palmitoyl phenylalanine
ME159116
-
-
3.725069048
-
Alatanin 2
Alatanin 2
ME159091
-
-
3.75500679
-
dihydrocapsaicin
Dihydrocapsaicin
ME158942
-
C16952
3.766679326
-
(-)-jasmonoyl-L-isoleucine
-
ME159213
-
-
3.784902893
-
[ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,1...
CE 10:0
ME158992
-
C02530
3.791014474
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 2
3-Deoxyvitamin D3
ME158889
-
-
3.796802398
-
Behenoylglycine
Behenoylglycine
ME159190
-
-
3.797634421
-
12-OPDA
-
ME159061
-
C01226
3.804087629
-
[PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...
PE 16:0_18:2
ME159000
-
C00350
3.817334207
-
metabolite 1
-
ME158744
-
-
3.820764414
-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
Cer 18:1;O2/16:0
ME159024
-
C00195
3.822594544
-
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl...
-
ME159059
-
C04780
3.83547755
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME159011
-
C00350
3.838307102
-
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,1...
PE O-18:2/20:4
ME158713
-
C00350
3.840738424
-
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))
-
ME159023
-
C00350
3.84509383
-
Medicagol
Medicagol
ME158820
-
-
3.850936073
-
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-d...
-
ME159222
-
C04883
3.85478286
-
[ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,...
-
ME158817
-
-
3.855020078
-
3-Dehydroteasterone
3-Dehydroteasterone
ME158700
-
C15792
3.855235567
-
Bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME158814
-
C03690
3.859414172
-
3-methyl-1-heptene
3-Methyl-1-heptene
ME159099
-
-
3.863189728
-
[PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PE 16:0_22:6
ME159032
-
C00350
3.866487709
-
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))
-
ME159017
-
C00350
3.866858262
-
2-monooleoylglycerol
MG 0:0/18:1(9Z)/0:0
ME158808
-
-
3.868519943
-
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol
7-Dehydro-desmosterol
ME159065
-
C05107
3.881919672
-
[PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PE 16:0_20:4
ME159008
-
C00350
3.882570227
-
4-8dimethylnonanoylcarnitine
-
ME159131
-
-
3.883554862
-
5S-HETE di-endoperoxide
5S-HETE di-endoperoxide
ME158943
-
-
3.88791063
-
PC(22:2(13Z,16Z)/P-18:1(11Z))
-
ME159016
-
C00157
3.888816468
-
[PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-...
PC 18:0_22:4
ME159044
-
C00157
3.896356359
-
[ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10...
-
ME158813
-
-
3.897836333
-
PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)
-
ME159002
-
C00157
3.898200847
-
PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME159029
-
C00157
3.898521376
-
[PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PC 18:0_22:5
ME159042
-
C00157
3.899875839
-
[PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13...
-
ME158730
-
C00157
3.905793792
-
[PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-...
PC 18:1_20:3
ME158725
-
C00157
3.911674426
-
PS(36:2)
PS 36:2
ME158957
-
-
3.916789617
-
[FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic aci...
EPA
ME158773
-
C06428
3.92783923
-
[PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PC 16:0_22:6
ME159019
-
C00157
3.937276547
-
Tris(butoxyethyl)phosphate
-
ME158846
-
C14446
3.941693047
-
[PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadec...
PC 18:1/18:1
ME159025
-
C00157
3.94469576
-
PC(18:0/P-18:1(11Z))
-
ME159049
-
C00157
3.949931773
-
[PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PC 16:0_20:4
ME159010
-
C00157
3.951586287
-
[SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,...
Aplidiasphingosine
ME158844
-
-
3.953386025
-
[Fv] Ovalitenin A
-
ME159207
-
-
3.958752245
-
Glabranin
Glabranin
ME159210
-
C09752
3.960670897
-
PC(16:0/P-18:1(11Z))
-
ME159033
-
C00157
3.96069887
-
[PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...
PC 16:0_18:1
ME158749
-
C00157
3.972996458
-
[PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...
PC 16:0_18:2
ME158737
-
C00157
3.978891521
-
[SP hydrox] 6-hydroxysphing-4E-enine
6-Hydroxysphingosine
ME158881
-
-
3.979286741
-
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3...
-
ME158956
-
C04875
3.983812862
-
PS(O-18:0/22:4(7Z,10Z,13Z,16Z))
PS O-18:0/22:4(7Z,10Z,13Z,16Z)*
ME159112
-
-
3.987193488
-
[FA hydroxy(9:1)] 4-hydroxy-2-nonenal
-
ME158888
-
-
3.987968503
-
[PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...
PC 16:0_18:3
ME159012
-
C00157
3.9921202
-
[PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-...
PC 16:0/16:0
ME159043
-
C00157
3.997990956
-
PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME159140
-
-
4.000815697
-
[PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadeceno...
PC 14:0_18:1
ME159027
-
C00157
4.001698859
-
PS(18:0/18:1(9Z))
PS 18:0/18:1(9Z)
ME159063
-
C02737
4.005804927
-
PS(O-18:0/20:3(8Z,11Z,14Z))
PS O-18:0/20:3(8Z,11Z,14Z)*
ME159187
-
-
4.006242126
-
PS(O-16:0/22:2(13Z,16Z))
PS O-16:0/22:2(13Z,16Z)*
ME159149
-
-
4.011139551
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME159092
-
C09921
4.012635303
-
Tributyl phosphate
Tributyl phosphate
ME158875
-
C14439
4.015842908
-
[PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadec...
PC 14:0_18:2
ME159004
-
C00157
4.017020218
-
[FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamine
Eicosadienoyl-EA
ME158947
-
-
4.026080938
-
[PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-...
PC 15:0/15:0
ME159030
-
C00157
4.032305836
-
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME159216
-
-
4.034936029
-
PS(38:2)
PS 38:2
ME159199
-
-
4.043806011
-
[Fv] Desmosdumotin C
-
ME158803
-
-
4.045241208
-
SM(d18:1/24:1(15Z))
SM 18:1;O2/24:1(15Z)
ME158714
-
C00550
4.083980509
-
Tazettine
Tazettine
ME159086
-
C12179
4.084024021
-
SM(d18:1/22:0)
SM 18:1;O2/22:0
ME159038
-
C00550
4.09373842
-
nornorcapsaicin
-
ME159165
-
-
4.113578421
-
Methyl cinnamate
Methyl cinnamate
ME158807
-
C06358
4.11587981
-
1,2,4-Trimethylbenzene
1,2,4-Trimethylbenzene
ME159109
-
C14533
4.124362066
-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
-
ME159114
-
-
4.127322438
-
alpha-Methylstyrene
-
ME159096
-
C14395
4.127361282
-
[FA (8:2)] 2,4-octadienal
(E,E)-2,4-Octadienal
ME159102
-
-
4.133024
-
SM(d16:1/22:1)
SM 16:1;O2/22:1
ME159128
-
-
4.133557344
-
Perillyl alcohol
Perillyl alcohol
ME159107
-
C02452
4.135698672
-
DMNT
-
ME159104
-
-
4.136209579
-
PS(12:0/15:0)
PS 12:0/15:0
ME158918
-
-
4.139380718
-
[SP (2:0)] sphinga-4E,14Z-dienine
4E,14Z-Sphingadiene
ME158937
-
-
4.140742666
-
4-Hydroxycinnamyl aldehyde
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME158699
-
C05608
4.140772021
-
[FA (14:2)] 5,8-tetradecadienal
5,8-Tetradecadienal
ME159111
-
-
4.142607599
-
SM(d18:0/24:1(15Z)(OH))
SM 18:0;O2/24:1;O
ME159028
-
C00550
4.150618963
-
SM(d18:1/18:1(9Z))
SM 18:1;O2/18:1(9Z)
ME159001
-
C00550
4.180522037
-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phos...
SM 18:1;O2/16:0
ME158841
-
-
4.215772172
-
SM(d16:1/18:1)
SM 16:1;O2/18:1
ME159117
-
-
4.218314407
-
PC(16:0/5:0(COOH))
-
ME159205
-
-
4.238681493
-
SM(d18:1/14:0)
SM 18:1;O2/14:0
ME159125
-
-
4.248740398
-
N-Acetylindoxyl
N-Acetylindoxyl
ME159020
-
C02298
4.261037003
-
Iridodial
Iridodial
ME158718
-
C06069
4.31612389
-
[PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn...
-
ME158974
-
-
4.328157709
-
PC(16:0/5:0(CHO))
-
ME159206
-
-
4.344364575
-
Costunolide
Costunolide
ME159191
-
C09382
4.358841381
-
PS(22:1(11Z)/0:0)
PS 22:1(11Z)/0:0
ME159202
-
-
4.372031769
-
N-(3-Oxooctanoyl)homoserine lactone
N-(3-Oxo-octanoyl)-homoserine lactone
ME159219
-
C11841
4.372494649
-
[PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-gl...
-
ME159090
-
-
4.390239631
-
Tyr-OEt
Ethyl tyrosinate
ME159215
-
C01458
4.400311185
-
LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))
LPE 0:0/22:4(7Z,10Z,13Z,16Z)*
ME158829
-
-
4.408982782
-
N-Ethylmaleimide
N-Ethylmaleimide
ME158987
-
C02441
4.415407955
-
LysoPC(22:4(7Z,10Z,13Z,16Z))
LPC 22:4(7Z,10Z,13Z,16Z)
ME158995
-
C04230
4.415924999
-
Ac-Tyr-OEt
N-Acetyltyrosine
ME159119
-
C01657
4.419043264
-
cis-5-Tetradecenoylcarnitine
CAR 14:1
ME158895
-
-
4.426051443
-
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))
LPE 0:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME159101
-
-
4.432095969
-
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME159153
-
-
4.440230901
-
Stearoylcarnitine
CAR 18:0
ME159171
-
-
4.442496695
-
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
LPE 0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME159105
-
-
4.454735663
-
LysoPC(20:1(11Z))
LPC 20:1(11Z)
ME158710
-
C04230
4.454942257
-
Elaidiccarnitine
CAR 18:1(9E)
ME158861
-
-
4.470328397
-
[PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaeno...
LPC 22:6
ME158993
-
C04230
4.471620493
-
Linoelaidylcarnitine
CAR 18:2(9E,12E)
ME159139
-
-
4.501365417
-
Heptadecanoylcarnitine
CAR 17:0
ME159151
-
-
4.505559604
-
10-Hydroxycarbazepine
Licarbazepine
ME159081
-
C07493
4.512303091
-
LysoPC(18:0)
LPC 18:0
ME158711
-
C04230
4.51580736
-
[PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
LPE 20:4
ME158827
-
-
4.517630376
-
Quinolin-2-ol
2-Hydroxyquinoline
ME159221
-
C06338
4.523051714
-
LysoPC(20:4(5Z,8Z,11Z,14Z))
LPC 20:4(5Z,8Z,11Z,14Z)*
ME159007
-
C04230
4.524008355
-
LysoPC(18:1(9Z))
LPC 18:1(9Z)
ME159021
-
C04230
4.551434619
-
[FA] O-Palmitoyl-R-carnitine
CAR 16:0
ME158775
-
C02990
4.553700774
-
Bendiocarb
Bendiocarb
ME158903
-
C14433
4.565341145
-
LysoPC(O-18:0)
LPC O-18:0
ME159026
-
C04317
4.568751444
-
LysoPC(17:0)
LPC 17:0
ME159006
-
C04230
4.569921884
-
[PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...
LPC P-16:0 or LPC O-16:1
ME159018
-
C04230
4.575203007
-
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)*
ME159135
-
-
4.588751544
-
[PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-...
LPC 18:2
ME158727
-
C04230
4.588762441
-
trans-Hexadec-2-enoylcarnitine
CAR 16:1(2E)
ME159156
-
-
4.590709332
-
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosp...
LPC 18:1
ME159150
-
-
4.592374304
-
N-Decanoylglycine
N-Decanoylglycine
ME158905
-
-
4.618937275
-
[Fv] Homoflemingin
-
ME158944
-
-
4.630010117
-
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocho...
LPC 16:0
ME158717
-
C04230
4.635113258
-
[PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoeth...
LPE 18:0/0:0
ME159137
-
-
4.639872168
-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))
LPE 0:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME158823
-
-
4.671074856
-
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholin...
LPC O-16:0
ME159122
-
C13903
4.682993364
-
(S)-Coclaurine
(S)-Coclaurine
ME158723
-
C06161
4.684417664
-
N-Nonanoylglycine
N-Nonanoylglycine
ME158897
-
-
4.686931264
-
Lophophorine
Lophophorine
ME158902
-
C09573
4.689371054
-
Tetradecanoylcarnitine
CAR 14:0
ME158880
-
-
4.697790427
-
N-Heptanoylhomoserine lactone
N-Heptanoyl-homoserine lactone
ME158909
-
C11844
4.706867701
-
[PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphoch...
LPC 14:0
ME158742
-
C04230
4.764289261
-
[PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-...
-
ME158893
-
-
4.771731412
-
Leucyl-leucine
Leu-Leu
ME158822
-
C11332
4.780462863
-
Tenuazonic acid
Tenuazonic acid
ME159168
-
C08511
4.790852352
-
1,2-dioctanoyl-1-amino-2,3-propanediol
-
ME158877
-
-
4.801366138
-
N-stearoyl histidine
N-Stearoyl histidine
ME159087
-
-
4.81647644
-
ketoconazol
-
ME159220
-
-
4.822522926
-
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME159166
-
C03710
4.823326831
-
Dasytrichone
Dasytrichone
ME158824
-
C10035
4.82549223
-
7alpha-Hydroxycholest-4-en-3-one
7alpha-Hydroxy-4-cholesten-3-one
ME158787
-
C05455
4.843321919
-
nitrocyclohexane
-
ME159138
-
-
4.862534531
-
Valeroidine
Valeroidine
ME159204
-
C10869
4.889973795
-
Hexanoylglycine
Hexanoylglycine
ME158811
-
-
4.890820721
-
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoa...
-
ME158912
-
-
4.89715798
-
5-Hydroxytryptophol
5-Hydroxytryptophol
ME158911
-
-
4.922897359
-
Fasoracetam
Fasoracetam
ME159160
-
C13311
4.94032952
-
[ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-ol
Zymosterol
ME159058
-
C05437
4.946189519
-
[FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-met...
-
ME159209
-
-
4.954739869
-
Lysergic acid
Lysergic acid
ME159155
-
C07541
5.043687224
-
N-ethylsuccinimide
N-Ethylsuccinimide
ME158860
-
-
5.086416814
-
Gentianaine
-
ME159144
-
C09960
5.100807581
-
metabolite 2
-
ME159110
-
-
5.178625939
-
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lacton...
N-(3-Oxo-hexanoyl)-homoserine lactone
ME158926
-
C11839
5.238158888
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME158852
-
-
5.243739259
-
Hexanoylcarnitine
CAR 6:0
ME158891
-
-
5.253851182
-
2-Phenyl-1,3-propanediol monocarbamate
-
ME159079
-
C16586
5.326872209
-
Deoxyvasicinone
Deoxyvasicinone
ME158961
-
C10659
5.329539096
-
7,8-benzoflavone
7,8-Benzoflavone
ME158946
-
-
5.366117786
-
Diacetylmonoxime
2,3-Butanedione monoxime
ME159142
-
C07509
5.376216117
-
N-Acetyl-ala-ala-ala-methylester
-
ME159247
-
C11329
5.37734885
-
3,4-Dehydrothiomorpholine-3-carboxylate 2
-
ME158831
-
C04445
5.544719138
-
5-Methoxytryptophol
5-Methoxytryptophol
ME159174
-
-
5.862152266
-
(Z)-4-Hydroxyphenylacetaldehyde-oxime
-
ME158751
-
C04353
6.120559584
-
indole-3-acetonitrile oxide
-
ME158952
-
-
6.165434253
-
1-Nitronaphthalene
1-Nitronaphthalene
ME159082
-
C14040
6.874745343
-
SM(d18:1/22:1(13Z))
SM 18:1;O2/22:1(13Z)
ME158765
-
C00550
6.894623018
-
Hexadecasphinganine
C16 Sphinganine
ME158923
-
C13915
7.0348675
-
[SP] 3-dehydrosphinganine
3-Ketosphinganine
ME158746
-
C02934
7.042811817
-
beta-Carboline
beta-Carboline
ME158966
-
-
7.140957155
-
SM(d18:1/18:0)
SM 18:1;O2/18:0
ME159014
-
C00550
7.157334309
-
SM(d18:1/17:0)
SM 18:1;O2/17:0
ME159145
-
-
7.181318328
-
Protoporphyrin
Protoporphyrin
ME158790
-
C02191
7.197971172
-
Urocanate
Urocanic acid
ME158789
-
C00785
7.232823886
-
Indoleamine
-
ME158904
-
C01819
7.280128071
-
Calophyllin B
Calophyllin B
ME158800
-
C10054
7.374855825
-
[PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphoch...
LPC 15:0
ME159060
-
C04230
7.391431522
-
[PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosp...
LPE 18:1/0:0
ME159169
-
-
7.393490409
-
N-hydroxyvaline
N-Hydroxy-valine
ME159185
-
-
7.41426483
-
di-n-Undecylamine
-
ME158968
-
-
7.416635313
-
Indole-3-acetamide
1H-Indole-3-acetamide
ME159066
-
C02693
7.421902425
-
[SP] Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
ME159075
-
C06124
7.424401828
-
[SP] Sphinganine-1-phosphate
Sphinganine 1-phosphate
ME159072
-
C01120
7.429138335
-
5-Methylthioadenosine
5'-Methylthioadenosine
ME158693
-
C00170
7.432928142
-
[FA (6:0)] O-hexanoyl-R-carnitine
CAR 6:0
ME159130
-
-
7.447016658
-
3-Methyleneoxindole
3-Methyleneoxindole
ME159195
-
C02796
7.457873634
-
Tetrapentylammonium
Tetrapentylammonium
ME158816
-
C13815
7.461457396
-
Nicotinamide
Niacinamide
ME158678
-
C00153
7.463728325
-
Benzimidazole
1H-Benzimidazole
ME159230
-
C02009
7.467142975
-
L-Glutamate methylester
-
ME159214
-
C05016
7.472194663
-
Urethane
Ethyl carbamate
ME158812
-
C01537
7.479244482
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME158728
-
C05936
7.481261158
-
Cyclopamine
Cyclopamine
ME158884
-
C10798
7.48753841
-
Daminozide
Daminozide
ME158809
-
C10996
7.549626334
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME158819
-
C04445
7.592320405
-
Boc-Asn
-
ME159100
-
C01410
7.611412013
-
CTAB
-
ME158925
-
C11275
7.637166137
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME158754
-
C05842
7.642542898
-
Ricinine
Ricinine
ME159133
-
C01526
7.669951617
-
3,5-dihydro-5-methylidene-4H-imidazol-4-one
-
ME158967
-
-
7.686896242
-
Casein K 2
-
ME158960
-
C01483
7.694574355
-
3-(Dimethylamino)propyl benzoate
3-(Dimethylamino)propyl benzoate
ME158890
-
C14168
7.819639488
-
Met-Asp-Gly
Met-Asp-Gly
ME158982
-
-
7.901083332
-
FMLP
-
ME158777
-
C11596
7.941019012
-
N-(octanoyl)-L-homoserine
-
ME158868
-
-
8.006053825
-
Pyridoxal
Pyridoxal
ME158680
-
C00250
8.012744633
-
Pyridoxine
Pyridoxine
ME158670
-
C00314
8.047185851
-
2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME158761
-
C00450
8.099210099
-
N-succinyl-L-citrulline
N(2)-Succinyl-citrulline
ME158845
-
-
8.112556505
-
2-Aminobutan-4-olide
Homoserine lactone
ME159143
-
C02926
8.156133849
-
L-thiazolidine-4-carboxylate
-
ME158849
-
-
8.253926267
-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
-
ME158872
-
-
8.322947167
-
[FA amino(11:0)] 11-amino-undecanoic acid
11-Aminoundecanoic acid
ME158873
-
-
8.342585574
-
Thr-Cys 2
Thr-Cys
ME158970
-
-
8.350699151
-
Ala-Met-Pro-Tyr
-
ME159228
-
-
8.416438256
-
N6-Acetyl-N6-hydroxy-L-lysine 2
N(6)-Acetyl-N(6)-hydroxy-lysine
ME159073
-
C03955
8.457177429
-
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME158791
-
C05639
8.485656592
-
Riboflavin
Riboflavin
ME158768
-
C00255
8.525091535
-
Maleimide
Maleimide
ME159245
-
C07272
8.526391376
-
Urethane 2
Ethyl carbamate
ME159113
-
C01537
8.545009507
-
3-nitro-2-pentanol
-
ME158927
-
-
8.585793747
-
Isoquinoline
Isoquinoline
ME159180
-
C06323
8.679253693
-
Indoleacrylicacid
Indoleacrylic acid
ME159188
-
-
8.68181375
-
Hypaphorine
Lenticin
ME158919
-
C09213
8.681930913
-
O-Butanoylcarnitine
CAR 4:0
ME158907
-
C02862
8.720522547
-
Phe-Pro
Phe-Pro
ME159198
-
-
8.774294463
-
S-Butyl-DL-homocysteine-[S,R]-sulfoximine
-
ME159217
-
C04543
8.868814189
-
5,6-Dihydrothymine 2
Dihydrothymine
ME158783
-
C00906
8.917316456
-
(-)-Salsolinol
Salsolinol
ME158837
-
C09642
9.102289878
-
Phenylethylmalonamide
Phenylethylmalonamide
ME158858
-
C07499
9.109226693
-
[ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pe...
-
ME159235
-
C14303
9.125223202
-
Butenylcarnitine
CAR 4:1
ME159193
-
-
9.19739146
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME158764
-
C06114
9.215825985
-
Lys-Val-Val
Lys-Val-Val
ME158863
-
-
9.245350013
-
Isovalerylalanine
Isovalerylalanine
ME158954
-
-
9.277946507
-
Adenine
Adenine
ME158692
-
C00147
9.334870314
-
Suberylglycine
Suberylglycine
ME159229
-
-
9.472577468
-
d1-piperidine-dicarboxylate
-
ME159203
-
-
9.48407332
-
5-Methylcytosine
5-Methylcytosine
ME158766
-
C02376
9.513730165
-
Imidazole lactate
Imidazolelactic acid
ME158750
-
C05568
9.525950011
-
N6,N6-Dimethyladenosine
N(6),N(6)-Dimethyladenosine
ME158986
-
C03416
9.535799154
-
Homostachydrine
(S)-Homostachydrine
ME158928
-
C08283
9.54410507
-
Gly-Pro-Ser
Gly-Pro-Ser
ME158847
-
-
9.553047042
-
Slaframine 2
Slaframine
ME158922
-
C06185
9.600306954
-
Creatinine
Creatinine
ME158684
-
C00791
9.634414829
-
N-acetyl-demethylphophinothricin
-
ME158953
-
-
9.677104954
-
Phe-Trp
Phe-Trp
ME159186
-
-
9.710972862
-
O-Propanoylcarnitine
CAR 3:0
ME158920
-
C03017
9.715375256
-
O-Acetylcarnitine 2
CAR 2:0
ME159062
-
C02571
9.859313232
-
Cerulenin
Cerulenin
ME158901
-
C12058
9.873322038
-
Leu-Pro
Leu-Pro
ME158876
-
-
9.909244143
-
5,8,13,13a-Tetrahydrocolumbamine
(S)-Tetrahydrocolumbamine
ME159201
-
C04118
9.913918997
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Cys-Thr-Ser-Tyr
-
ME159502
-
-
10.01238902
-
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose
-
ME159399
-
C06618
10.16924776
-
Glycerol
Glycerol
ME159290
-
C00116
10.29867783
-
ethanedisulfonate
-
ME159408
-
D07330
10.42713503
-
L-Erythrulose
Erythrulose
ME159410
-
C02045
10.43609054
-
HEPES
-
ME159409
-
-
10.5281793
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME159328
-
C05123
10.6700773
-
2-Aminomalonate semialdehyde
-
ME159517
-
C11822
10.70862058
-
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc ...
2,4-Dihydroxy-2-heptenedioic acid
ME159312
-
C06201
10.71272044
-
Homogentisate
Homogentisic acid
ME159356
-
C00544
10.73849396
-
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME159507
-
-
10.75295341
-
Leu-Ala-Asp
Leu-Ala-Asp
ME159774
-
-
10.75981845
-
Urea-1-carboxylate
-
ME159554
-
C01010
10.77153544
-
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME159477
-
C15480
10.83045973
-
Glu-Leu
Glu-Leu
ME159441
-
-
10.83217662
-
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 2
-
ME159687
-
C06326
10.93373349
-
Ecgonine
Ecgonine
ME159443
-
C10858
11.01628286
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME159339
-
C01077
11.05096295
-
Sulfoacetaldehyde
Sulfoacetaldehyde
ME159313
-
C00593
11.10332448
-
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME159377
-
C00993
11.11332472
-
n-Acetylasparagine
N-Acetylasparagine
ME159769
-
-
11.19301887
-
FAD
FAD
ME159283
-
C00016
11.19496882
-
Glu-Asp-Cys
Glu-Asp-Cys
ME159438
-
-
11.34152157
-
Mesaconate
Mesaconic acid
ME159372
-
C01732
11.42034136
-
Glu-Cys-Cys
Glu-Cys-Cys
ME159398
-
-
11.49791357
-
Leu-Asp-Gly
Leu-Asp-Gly
ME159532
-
-
11.52607077
-
herbicide 14A
-
ME159643
-
-
11.57782647
-
N-Acetylmuramate
N-Acetylmuramic acid
ME159380
-
C02713
11.59819559
-
Cyanuric acid
Cyanuric acid
ME159632
-
C06554
11.64030592
-
N-Acetyl-L-leucine 2
N-Acetylleucine
ME159701
-
C02710
11.73450342
-
D-Glycerate
Glyceric acid
ME159303
-
C00258
11.7669498
-
L-Rhamnose
Rhamnose
ME159333
-
C00507
11.86754222
-
5-Acetamidopentanoate 2
5-Acetamidovaleric acid
ME159359
-
C03087
11.91618977
-
cis-1,2-Dihydro-3-ethylcatechol
cis-1,2-Dihydro-3-ethylcatechol
ME159634
-
C06727
11.91996894
-
S-(Formylmethyl)glutathione
S-(Formylmethyl)glutathione
ME159635
-
C14871
11.96837623
-
alpha-D-Glucosamine 1-phosphate 2
Glucosamine 1-phosphate
ME159352
-
C06156
11.9882061
-
4-Nitroaniline
4-Nitroaniline
ME159463
-
C02126
12.06429961
-
Acetyl-CoA
Acetyl-CoA
ME159308
-
C00024
12.07006829
-
Fagomine
Fagomine
ME159459
-
C10144
12.07788674
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME159371
-
C12986
12.10004427
-
2-Dehydro-3-deoxy-D-gluconate
Gluconolactone
ME159378
-
C00204
12.10267619
-
alpha-D-Mannoheptulopyranose
Manno-heptulose
ME159473
-
C08236
12.10324462
-
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME159325
-
C00140
12.11731747
-
Orotate(Fragment)
Orotic acid
ME159607
-
C00295
12.19383654
-
Orotidine
Orotidine
ME159285
-
-
12.20845877
-
Asn-Gln-Tyr-His
-
ME159535
-
-
12.2266304
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME159292
-
C01620
12.3391338
-
2-Dehydro-3-deoxy-L-arabinonate
-
ME159574
-
C00684
12.40692041
-
Urate
Uric acid
ME159288
-
C00366
12.49947702
-
hydroxypyruvaldehyde phosphate
Hydroxypyruvaldehyde phosphate
ME159640
-
-
12.54777064
-
Cys-Met-Met-Phe
-
ME159525
-
-
12.55013809
-
His-Met-Trp-Ser
-
ME159486
-
-
12.609089
-
Sulfoacetaldehyde 2
Sulfoacetaldehyde
ME159566
-
C00593
12.61779069
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 2
(S)-5-Amino-3-oxohexanoate
ME159360
-
C03656
12.62464727
-
Quinate
Quinic acid
ME159350
-
C00296
12.68717832
-
L-Hypoglycin
-
ME159412
-
C08287
12.77879533
-
Asp-Asp 2
Asp-Asp
ME159529
-
-
12.8195013
-
D-Fructose
Fructose
ME159265
-
C00095
12.848369
-
Gentisyl alcohol
Gentisyl alcohol
ME159710
-
C10792
12.85188505
-
Asn-Gly
Asn-Gly
ME159391
-
-
12.85239063
-
Hymexazol O-glucoside
Hymexazol O-glucoside
ME159777
-
C11102
12.86522787
-
Glu-Met-Cys-His
-
ME159531
-
-
12.8820527
-
2-Dehydro-D-xylonate 2
(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acid
ME159667
-
C02928
12.88424578
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME159456
-
C04544
12.91787267
-
2-hydroxymethanesulfonate
-
ME159492
-
-
12.96776904
-
Val-Asp-Ser
Val-Asp-Ser
ME159785
-
-
12.97364067
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME159706
-
C04521
12.98489284
-
O-Acetyl-L-homoserine 2
O-Acetyl-homoserine
ME159547
-
C01077
12.98795458
-
Cardiospermin
Cardiospermin
ME159449
-
C08328
12.9881462
-
Muramic acid 2
Muramic acid
ME159662
-
C06470
12.98831973
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME159590
-
C01165
13.00132822
-
Glu-Glu 2
Glu-Glu
ME159530
-
C01425
13.02297605
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME159612
-
C11821
13.04983414
-
3,6,8-Trimethylallantoin
-
ME159296
-
C16362
13.05630054
-
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME159608
-
C11355
13.07107597
-
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME159317
-
C00441
13.11912641
-
Fagomine 2
Fagomine
ME159703
-
C10144
13.14336898
-
Met-Gly-Arg
Met-Gly-Arg
ME159415
-
-
13.18192103
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME159302
-
C00270
13.18239482
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME159708
-
C03274
13.19644854
-
4-Methylene-L-glutamate
-
ME159445
-
C00651
13.28659512
-
Tauropine
Tauropine
ME159514
-
C01616
13.31340255
-
phosphinomethylmalate
-
ME159653
-
-
13.3334148
-
L-Glycericacid
Glyceric acid
ME159651
-
-
13.36059117
-
3-Dehydrocarnitine
3-Dehydrocarnitine
ME159543
-
C02636
13.37404645
-
L-Arabinonate
-
ME159540
-
C00545
13.42087283
-
Glycylproline
Gly-Pro
ME159433
-
-
13.42215464
-
Clitidine 5-phosphate
Clitidine 5'-phosphate
ME159681
-
C08429
13.43067476
-
(S)-2-Aceto-2-hydroxybutanoate
Acetohydroxybutyric acid
ME159310
-
C06006
13.46846267
-
5-Hydroxyectoine
5-Hydroxyectoine
ME159620
-
C16432
13.47887845
-
D-Gluconic acid
Gluconic acid
ME159280
-
C00257
13.48671778
-
Nitrilotriacetic acid
Nitrilotriacetic acid
ME159527
-
C14695
13.54409786
-
L-Ala-L-Glu
-
ME159494
-
-
13.54646072
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME159472
-
C01133
13.60815283
-
Phthalate
Phthalic acid
ME159284
-
C01606
13.61907826
-
(L-Seryl)adenylate
L-Seryl-adenylate
ME159435
-
C05820
13.65038711
-
Sedoheptulose
Glucoheptulose
ME159666
-
C02076
13.70354298
-
L-Noradrenaline
Norepinephrine
ME159376
-
C00547
13.73143817
-
4-(2-Aminophenyl)-2,4-dioxobutanoate 2
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME159578
-
C01252
13.74228758
-
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
-
ME159447
-
C01295
13.75669329
-
(S)(+)-Allantoin
Allantoin
ME159613
-
C02350
13.75959121
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME159546
-
C13050
13.79301929
-
Glu-Thr-Thr
Glu-Thr-Thr
ME159699
-
-
13.83511482
-
Galactinoldihydrate
Galactinol
ME159694
-
-
13.8503126
-
nocardicin G
-
ME159709
-
C17355
13.85241195
-
Melibiitol
Melibiitol
ME159388
-
C05399
13.85658205
-
(3R)-beta-Leucine
beta-Leucine
ME159319
-
C02486
13.89791157
-
D-Sorbitol
Sorbitol
ME159274
-
C00794
13.92128727
-
Glutathione
Glutathione
ME159263
-
C00051
13.92350954
-
L-Histidinol phosphate
L-Histidinol phosphate
ME159309
-
C01100
13.93597565
-
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chlo...
-
ME159721
-
-
13.95355456
-
(-)-Medicocarpin
-
ME159526
-
C16223
14.00257167
-
N-Acetyl-L-glutamate 5-semialdehyde 2
N-Acetyl-glutamate 5-semialdehyde
ME159592
-
C01250
14.00770918
-
Asp-Gly-Tyr
Asp-Gly-Tyr
ME159773
-
-
14.01078596
-
6-Acetyl-D-glucose 2
6-Acetylglucose
ME159695
-
C02655
14.01298361
-
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME159570
-
C01234
14.06810775
-
3-Dehydroquinate
3-Dehydroquinate
ME159374
-
C00944
14.07820021
-
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
ME159779
-
C04641
14.11715499
-
N-Glycosyl-L-asparagine
N-Glycosyl-asparagine
ME159420
-
C03411
14.11931237
-
Muramic acid
Muramic acid
ME159475
-
C06470
14.1223928
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME159671
-
C06455
14.1588455
-
L-2-Amino-3-oxobutanoic acid
L-2-Amino-3-oxobutanoic acid
ME159555
-
C03508
14.16436891
-
4-Nitrophenyl-3-ketovalidamine
-
ME159778
-
C03995
14.16548123
-
PIPES
-
ME159700
-
-
14.19101984
-
XTP
Xanthosine 5-triphosphate
ME159331
-
C00700
14.19770925
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME159315
-
C03656
14.19925421
-
Neuraminic acid
Neuraminic acid
ME159766
-
C06469
14.20493811
-
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME159361
-
C11544
14.21388718
-
Glu-Met-Met-His
-
ME159455
-
-
14.21401643
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME159295
-
C00606
14.22200791
-
Asp-Met-Cys-Cys
-
ME159534
-
-
14.32314546
-
Asn-Asp-Asp-Pro
-
ME159775
-
-
14.33869643
-
nonulose 9-phosphate 2
Nonulose 9-phosphate
ME159787
-
-
14.34432504
-
metabolite 2
-
ME159646
-
-
14.34479167
-
D-Galacturonate
Galacturonic acid
ME159357
-
C00333
14.35672201
-
Vinylacetylglycine
Vinylacetylglycine
ME159425
-
-
14.38470588
-
2-Oxoadipate
Oxoadipic acid
ME159587
-
C00322
14.39685784
-
Cys-Met-Pro-His
-
ME159464
-
-
14.42601517
-
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME159561
-
C00357
14.45496669
-
Ala-Ser-His
Ala-Ser-His
ME159736
-
-
14.49270986
-
2-(Acetamidomethylene)succinate
-
ME159625
-
C01215
14.52019103
-
Arg-Cys-Gln-Tyr
-
ME159474
-
-
14.53687798
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME159623
-
C13482
14.58606926
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine
Aspartylglycosamine
ME159565
-
C04540
14.60028458
-
N3-fumaramoyl-L-2,3-diaminopropanoate
-
ME159462
-
-
14.6044357
-
3-dimethylsulfoniopropionaldehyde
-
ME159660
-
-
14.62945674
-
L-Aspartate
Aspartic acid
ME159267
-
C00049
14.6433192
-
2-Acetolactate
2-Acetolactate
ME159567
-
C00900
14.65585487
-
2-Butenoate
Crotonic acid
ME159689
-
C01771
14.65984707
-
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
ME159375
-
C04796
14.66635927
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME159572
-
C00596
14.66637808
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME159277
-
C00093
14.68884753
-
D-Xylulose
L-Ribulose
ME159562
-
C00310
14.69150863
-
Ala-Asp-Ser
Ala-Asp-Ser
ME159659
-
-
14.71114762
-
(S)-Methylmalonate semialdehyde
(S)-Methylmalonic acid semialdehyde
ME159564
-
C06002
14.71465464
-
Xylobiose
Xylobiose
ME159755
-
C01630
14.7377583
-
D-Glucose
Glucose
ME159264
-
C00221
14.73953274
-
Fumarate
Fumaric acid
ME159272
-
C00122
14.7608308
-
Maleamate 2
Maleamate
ME159583
-
C01596
14.76099305
-
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamid...
AICAR
ME159544
-
C04677
14.78053131
-
L-Ala-L-Glu 2
-
ME159652
-
-
14.78574245
-
UMP
UMP
ME159320
-
C00105
14.79920986
-
ADP
ADP
ME159322
-
C00008
14.80991224
-
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME159278
-
C00043
14.81721634
-
D-Xylonolactone
D-Xylono-1,5-lactone
ME159347
-
C02266
14.82876622
-
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME159658
-
C03338
14.84536388
-
P-DPD
-
ME159642
-
-
14.84762151
-
D-Mannose 6-phosphate
Mannose 6-phosphate
ME159342
-
C00275
14.84969202
-
Sorbitol 6-phosphate
Pseudouridine
ME159579
-
C01096
14.85717542
-
Succinate
Succinic acid
ME159370
-
C00042
14.86984997
-
Sucrose
Sucrose
ME159251
-
C00089
14.88135403
-
2-oxosuberate
-
ME159406
-
C16589
14.88635245
-
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME159598
-
C05931
14.89503233
-
melibionate
-
ME159688
-
-
14.89583844
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME159298
-
C03912
14.89706852
-
Taurine
Taurine
ME159271
-
C00245
14.92027376
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME159619
-
C00128
14.9412333
-
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME159575
-
C00118
14.98403848
-
L-Cysteinylglycinedisulfide
Cysteinylglycine disulfide
ME159402
-
-
15.01268457
-
3,4-Dihydroxymandelaldehyde
3,4-Dihydroxymandelaldehyde
ME159389
-
C05577
15.01326346
-
Ascorbate
Vitamin C
ME159354
-
C00072
15.01768904
-
Glu-Asp-Met
Glu-Asp-Met
ME159504
-
-
15.03814012
-
dXMP
-
ME159471
-
-
15.05817523
-
Glu-Ser
Glu-Ser
ME159757
-
-
15.09932631
-
5-Dehydro-4-deoxy-D-glucarate
-
ME159338
-
C00679
15.10560376
-
Ala-Asn-Asp
Ala-Asn-Asp
ME159737
-
-
15.12556037
-
N-Acetylgalactosaminate
N-Acetylgalactosaminate
ME159781
-
C03408
15.14108114
-
Hydantoin-5-propionate
Hydantoin-5-propionic acid
ME159358
-
C05565
15.15116342
-
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME159329
-
C06156
15.15128039
-
N-Glycolyl-D-glucosamine
N-Glycolyl-D-glucosamine
ME159718
-
C03146
15.21497172
-
Aspartyl-L-proline
Asp-Pro
ME159446
-
-
15.22175385
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME159260
-
C00117
15.22520022
-
N-Formyl-L-aspartate
N-Formyl-aspartic acid
ME159622
-
C01044
15.28706812
-
N2-Acetyl-L-aminoadipate 2
N-Acetyl-2-aminoadipic acid
ME159539
-
C12986
15.31861266
-
L-Cysteate
Cysteic acid
ME159382
-
C00506
15.32979469
-
2-Oxoglutarate
2-Oxoglutaric acid
ME159275
-
C00026
15.35135908
-
dATP
dATP
ME159297
-
C00131
15.43068074
-
Hydroxypyruvate
Hydroxypyruvic acid
ME159383
-
C00168
15.46160171
-
Asp-Ser
Asp-Ser
ME159665
-
-
15.4834702
-
Asp-Gly-Ser
Asp-Gly-Ser
ME159780
-
-
15.5303863
-
penem CGP31608
-
ME159484
-
-
15.61744596
-
Asn-Asp-Gly
Asn-Asp-Gly
ME159725
-
-
15.65096276
-
3-Phospho-D-glyceroyl phosphate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME159289
-
C00236
15.6639721
-
6-Acetyl-D-glucose
6-Acetylglucose
ME159677
-
C02655
15.77952844
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME159346
-
C03451
15.79451421
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine 2
Aspartylglycosamine
ME159569
-
C04540
15.80299898
-
(S)-Malate
Malic acid
ME159281
-
C00149
15.82442084
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME159711
-
C01225
15.83116802
-
2-Dehydro-D-xylonate
(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acid
ME159483
-
C02928
15.88502994
-
3-Phosphonopyruvate
-
ME159362
-
C02798
15.88967402
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME159301
-
C05382
15.9315475
-
2-(sulfomethyl)thiazolidine-4-carboxylate
-
ME159395
-
-
15.97342187
-
octulose 8-phosphate
Octulose 8-phosphate
ME159656
-
-
16.02582756
-
Ala-Asp
Ala-Asp
ME159690
-
-
16.05518144
-
UDP-glucose
UDP-glucose
ME159255
-
C00029
16.09285482
-
L-Cysteine
Cysteine
ME159628
-
C00097
16.10894559
-
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic aci...
-
ME159479
-
-
16.18132116
-
Glu-Cys-Cys 2
Glu-Cys-Cys
ME159522
-
-
16.19997823
-
3-sulfopropanoate
-
ME159432
-
-
16.26064025
-
3-(ADP)-glycerate
-
ME159772
-
C02509
16.32327744
-
Oxalosuccinate
Oxalosuccinic acid
ME159599
-
C05379
16.36929888
-
nonulose 9-phosphate
Nonulose 9-phosphate
ME159437
-
-
16.3938399
-
GMP
GMP
ME159332
-
C00144
16.39856762
-
2-Deoxymugineic acid
-
ME159439
-
C15485
16.42090621
-
ADP ribose 1,2-phosphate
-
ME159684
-
-
16.43466417
-
N-(L-Arginino)succinate
Argininosuccinic acid
ME159614
-
C03406
16.4968689
-
Lys-Asp
Lys-Asp
ME159668
-
-
16.58522538
-
N-Acetyl-D-glucosamine 1,6-bisphosphate
N-Acetyl-D-glucosamine 1,6-bisphosphate
ME159413
-
C04461
16.596247
-
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME159336
-
C05824
16.62635218
-
4-Oxoglutaramate
4-Oxoglutaramic acid
ME159552
-
C05572
16.69484894
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME159253
-
C00197
16.71888783
-
CoA-glutathione
Glutathionyl-CoA
ME159444
-
C00920
16.75938181
-
Ala-Asp-Asp
Ala-Asp-Asp
ME159430
-
-
16.76408036
-
D-Glucarate
Glucaric acid
ME159343
-
C00818
16.78227863
-
CDP
CDP
ME159627
-
C00112
16.78618466
-
Glu-Glu
Glu-Glu
ME159488
-
C01425
16.79268387
-
(R,R)-Tartaric acid
Tartaric acid
ME159270
-
C00898
16.94552132
-
3-acetyl pyridine adenine dinucleotide
-
ME159506
-
-
16.94925956
-
myo-Inositol
Myo-inositol
ME159262
-
C00137
16.96899956
-
2-Hydroxybutane-1,2,4-tricarboxylate
Homocitric acid
ME159321
-
C01251
16.97978351
-
Asp-Gln
Asp-Gln
ME159705
-
-
17.00572398
-
Asp-Asp
Asp-Asp
ME159442
-
-
17.15169671
-
Pseudouridine
Pseudouridine
ME159629
-
C02067
17.2203333
-
N-Succinyl-L-glutamate 2
N2-Succinylglutamate
ME159630
-
C05931
17.25675214
-
GDP-L-fucose
GDP-L-fucose
ME159334
-
C00325
17.31727051
-
3-Sulfolactate
3-Sulfolactic acid
ME159367
-
C16069
17.32563292
-
Met-Met-Pro-Tyr
-
ME159644
-
-
17.34558493
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME159254
-
C00074
17.37242829
-
dihomocitrate
-
ME159730
-
C16583
17.37592473
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME159259
-
C00345
17.4771367
-
Oxalate
Oxalic acid
ME159269
-
C00209
17.49527225
-
L-Dehydroascorbate
L-Dehydroascorbic acid
ME159340
-
C05422
17.66942185
-
UTP
UTP
ME159536
-
C00075
17.67241661
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME159252
-
C00354
17.76309756
-
Sulfoacetate
Sulfoacetic acid
ME159563
-
C14179
17.83277426
-
2-Butyne-1,4-diol
But-2-yne-1,4-diol
ME159655
-
C02497
17.85618778
-
Citrate
Citric acid
ME159257
-
C00158
17.89231851
-
GDP-mannose
GDP-mannose
ME159261
-
C00096
17.93791257
-
Thr-Ala-Ala
Thr-Ala-Ala
ME159722
-
-
17.93902737
-
uridine-5-diphosphate bromoacetol
-
ME159396
-
-
18.02171848
-
2,3-Bisphospho-D-glycerate
2,3-Diphosphoglyceric acid
ME159250
-
C01159
18.11897433
-
Norepinephrinesulfate
Norepinephrine sulfate
ME159424
-
-
18.67989163
-
UDP-glucuronate
UDP-glucuronic acid
ME159327
-
C00167
18.86859564
-
glutathione-sulfite
-
ME159495
-
-
18.90549495
-
5-Deoxy-5-aminoshikimic acid
Aminoshikimate
ME159418
-
C12121
19.65427213
-
1-Aminocyclopropane-1-carboxylate 2
1-Aminocyclopropanecarboxylic acid
ME159585
-
C01234
19.88854713
-
3,4-Dihydroxypyridine
-
ME159678
-
C02932
19.90296628
-
2-Aminoacrylate
2-Aminoacrylic acid
ME159551
-
C02218
19.91020047
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME159560
-
C04690
19.91435838
-
Arg-Leu-Val-Asn
-
ME159452
-
-
21.68590165
-
Asp-Leu-Lys-Lys
-
ME159467
-
-
22.05928952
-
alpha-D-Glucose
Glucose
ME159337
-
C00267
22.84381013
-
alpha-(Methylenecyclopropyl)glycine
CPD-9757
ME159670
-
C08292
23.00401696
-
D-Proline
D-Proline
ME159304
-
C00763
24.17565184
-
D-Galactose
Galactose
ME159373
-
C00124
24.226259
-
D-Mannose
Mannose
ME159355
-
C00159
25.31756766
-
beta-D-Glucose
Glucose
ME159353
-
C00221
26.42916025
-
PG(40:8)
PG 40:8
ME159783
-
-
3.538750959
-
PG(36:3)
PG 36:3
ME159533
-
-
3.541085128
-
PS(P-18:0/17:2(9Z,12Z))
PS P-18:0/17:2(9Z,12Z)*
ME159645
-
-
3.552363111
-
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol
-
ME159762
-
-
3.555066661
-
Cholesterolsulfate
Cholesterol sulfate
ME159686
-
-
3.588732049
-
1,4-Bis(2-ethylhexyl) sulfosuccinate
2-Methylacetophenone
ME159516
-
C07874
3.589424674
-
PA(36:1)
PA 36:1
ME159719
-
-
3.589678378
-
PS(15:0/22:4(7Z,10Z,13Z,16Z))
PS 15:0/22:4(7Z,10Z,13Z,16Z)*
ME159661
-
-
3.594237981
-
PA(36:4)
PA 36:4
ME159672
-
-
3.609996166
-
MG(0:0/24:1(15Z)/0:0)
MG 0:0/24:1(15Z)/0:0
ME159664
-
-
3.611756185
-
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...
-
ME159600
-
C00416
3.631076229
-
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PS 18:0_22:6
ME159311
-
C02737
3.641858742
-
PS(40:8)
PS 40:8
ME159647
-
-
3.649416342
-
sodium dodecyl sulfate
-
ME159428
-
-
3.655797892
-
PA(36:3)
PA 36:3
ME159676
-
-
3.656282364
-
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...
PA 18:0_18:2
ME159593
-
C00416
3.659808213
-
PI(38:4)
PI 38:4
ME159669
-
-
3.662045012
-
PI(38:5)
PI 38:5
ME159693
-
-
3.666715001
-
1,2-dioctanoyl-1,2,6-hexanetriol
-
ME159685
-
-
3.672146897
-
PI(36:2)
PI 36:2
ME159461
-
-
3.674680545
-
Tetracosanoic acid
Lignoceric acid
ME159364
-
C08320
3.675131554
-
PI(36:4)
PI 36:4
ME159702
-
-
3.676457831
-
[FA (24:0)] 15Z-tetracosenoic acid
Nervonic acid
ME159626
-
C08323
3.677698684
-
N-oleoyl threonine
N-Oleoyl threonine
ME159771
-
-
3.696907397
-
Docosanoic acid
Behenic acid
ME159605
-
C08281
3.697852352
-
[FA (20:0/2:0)] Eicosanedioic acid
Eicosanedioic acid
ME159478
-
-
3.704954366
-
[FA (22:0)] 13Z-docosenoic acid
cis-Erucic acid
ME159386
-
C08316
3.70960738
-
Dehydrojuvabione
Dehydrojuvabione
ME159503
-
C09657
3.711209962
-
[FA (20:0)] eicosanoic acid
Arachidic acid
ME159366
-
C06425
3.721054209
-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid
Adrenic acid
ME159365
-
C16527
3.721345899
-
Docosahexaenoicacid
Docosahexaenoic acid
ME159604
-
C06429
3.725446905
-
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic ...
-
ME159524
-
-
3.731355337
-
[FA (20:0)] 11Z-eicosenoic acid
cis-Gondoic acid
ME159591
-
C16526
3.732586802
-
Icosadienoic acid
11Z,14Z-Eicosadienoic acid
ME159556
-
C16525
3.738502123
-
Icosatrienoic acid
ETrE(11Z,14Z,17Z)
ME159609
-
C16522
3.752073582
-
Octadecanoic acid
Stearic acid
ME159603
-
C01530
3.752110136
-
2-Oxooctadecanoic acid
2-Oxo-octadecanoic acid
ME159505
-
C00869
3.752289881
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME159323
-
C00712
3.758274481
-
3beta-Hydroxyandrost-5-en-17-one 3-sulfate
Dehydroepiandrosterone sulfate
ME159553
-
C04555
3.759665469
-
[FA (17:0)] heptadecanoic acid
Margaric acid
ME159490
-
-
3.768823628
-
Linoleate
Linoleic acid
ME159586
-
C01595
3.769770668
-
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one...
5alpha-Androstane-3alpha-ol-17-one sulfate
ME159712
-
C04555
3.772632864
-
[FA oxo(16:0)] 3-oxo-hexadecanoic acid
3-Ketopalmitic acid
ME159743
-
-
3.773339451
-
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadien...
9S-HODE
ME159596
-
C14767
3.783816036
-
omega-Cyclohexylundecanoic acid
Cyclohexaneundecanoic acid
ME159732
-
C12100
3.78394325
-
16-hydroxypalmitate
Juniperic acid
ME159747
-
-
3.785166664
-
Laudanosine
N-Methyltetrahydropapaverine
ME159434
-
C09558
3.790040783
-
Hexadecanoic acid
Palmitic acid
ME159276
-
C00249
3.793375738
-
(9Z)-Hexadecenoic acid
Palmitoleic acid
ME159597
-
C08362
3.799986921
-
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid
Arachidonic acid
ME159584
-
C00219
3.807348739
-
[FA methyl(14:0)] 12-methyl-tetradecanoic acid
-
ME159739
-
C16665
3.812900637
-
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid
-
ME159751
-
C03045
3.815741559
-
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicos...
15S-HETE
ME159541
-
C04742
3.815943556
-
LysoPC(20:3(5Z,8Z,11Z))
LPC 20:3(5Z,8Z,11Z)
ME159385
-
C04230
3.824425607
-
[FA (14:2)] 5,8-tetradecadienoic acid
5,8-Tetradecadienoic acid
ME159715
-
-
3.82695642
-
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-ace...
-
ME159767
-
-
3.82927069
-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...
-
ME159742
-
-
3.834918564
-
(-)-jasmonoyl-L-valine
-
ME159782
-
-
3.843399384
-
Tetradecanoic acid
Myristic acid
ME159279
-
C06424
3.845682699
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)
-
ME159589
-
C00350
3.85066339
-
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))
PE 20:2(11Z,14Z)/18:3(6Z,9Z,12Z)*
ME159582
-
C00350
3.850685859
-
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatri...
13S-HpOTrE
ME159595
-
C04785
3.851340254
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME159411
-
C03343
3.854516238
-
(9Z)-Tetradecenoic acid
Myristoleic acid
ME159740
-
C08322
3.865226166
-
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic...
9S-HpODE
ME159345
-
C14827
3.865259494
-
Cer(d18:2/16:0)
Cer 18:2;O2/16:0
ME159738
-
-
3.866242986
-
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PE 18:0_20:4
ME159307
-
C00350
3.868568277
-
[FA (13:2)] 3E,5E-tridecadienoic acid
3E,5E-Tridecadienoic acid
ME159476
-
-
3.8754903
-
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE 14:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME159559
-
C00350
3.883783597
-
Botrydial
Botrydial
ME159729
-
C09622
3.88670908
-
Farnesoic acid
Farnesoic acid
ME159403
-
C16502
3.887055908
-
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...
PE 18:0_18:2
ME159571
-
C00350
3.891416389
-
CAI-1
-
ME159417
-
C16640
3.893814148
-
[PR] 9-Hydroxy-helminthosporol
-
ME159735
-
-
3.897057118
-
Progesterone
Progesterone
ME159344
-
C00410
3.900373339
-
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine
-
ME159717
-
-
3.901451111
-
[6]-Gingerol
Gingerol
ME159482
-
C10462
3.917712019
-
7E,9E,11-Dodecatrienyl acetate
7E,9E,11-Dodecatrienyl acetate
ME159713
-
-
3.918743452
-
PS(19:1(9Z)/22:2(13Z,16Z))
PS 19:1(9Z)/22:2(13Z,16Z)*
ME159416
-
-
3.933960944
-
(1S,2R,4S)-(-)-Bornyl acetate
(1S,2R,4S)-Bornyl acetate
ME159714
-
C09837
3.935508216
-
5beta-Cyprinolsulfate
5beta-Cyprinol sulfate
ME159287
-
C05468
3.936684844
-
[PR] Citronellyl acetate
-
ME159487
-
C12298
3.946337553
-
[PR] Tretinoin/All-Trans Retinoic Acid
Retinoic acid
ME159291
-
C00777
3.947329993
-
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
ME159379
-
C01301
3.952326394
-
Aspidinol
Aspidinol
ME159770
-
C10673
3.954860271
-
Salicylaldehyde
2-Hydroxybenzaldehyde
ME159633
-
C06202
3.96020212
-
[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-hom...
-
ME159470
-
-
3.970621526
-
momilactone A
Momilactone A
ME159450
-
C18015
3.980166186
-
[FA (11:0)] undecanoic acid
Undecylic acid
ME159419
-
-
3.996659899
-
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid
-
ME159515
-
-
3.998499335
-
[FA (11:1)] 10-undecenoic acid
10-Hendecenoic acid
ME159454
-
C13910
4.014645772
-
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME159728
-
C02774
4.027718347
-
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid
Traumatin
ME159381
-
C16309
4.041198109
-
Diethofencarb
Diethofencarb
ME159521
-
C11077
4.056531579
-
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-...
-
ME159696
-
C11494
4.057523103
-
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol
-
ME159423
-
-
4.063748093
-
Decanoic acid
Capric acid
ME159268
-
C01571
4.0660057
-
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic...
15-Deoxy-delta-12,14-PGJ2
ME159316
-
C14717
4.067060256
-
PG(P-16:0/15:1(9Z))
PG P-16:0/15:1(9Z)
ME159682
-
-
4.082887282
-
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoser...
LPS 18:0
ME159501
-
-
4.093026788
-
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
LPS 20:4
ME159421
-
-
4.09324754
-
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
-
ME159405
-
-
4.105440636
-
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid
-
ME159649
-
-
4.106726808
-
sinapoyltyramine
-
ME159784
-
-
4.108440184
-
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthal...
-
ME159637
-
C14791
4.114335347
-
Dodecanedioic acid
Dodecanedioic acid
ME159768
-
C02678
4.117562882
-
Sulcatone
Sulcatone
ME159414
-
C07287
4.126535437
-
LPA(0:0/18:2(9Z,12Z))
LPA 0:0/18:2(9Z,12Z)*
ME159580
-
C00416
4.130383094
-
[FA (14:0/2:0)] Tetradecanedioic acid
Tetradecanedioic acid
ME159393
-
C11002
4.13338501
-
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...
-
ME159469
-
-
4.151175651
-
phlorisobutyrophenone
-
ME159509
-
C07351
4.15448909
-
Nonanoic acid
Pelargonic acid
ME159496
-
C01601
4.173985661
-
PS(13:0/12:0)
PS 13:0/12:0*
ME159748
-
-
4.176897616
-
4-Methylpentanal
4-Methylpentanal
ME159294
-
C02373
4.194767726
-
[FA] Methyl jasmonate
Methyl jasmonate
ME159617
-
C11512
4.196247043
-
3-hydroxyacyl group of bacterial toxin
-
ME159611
-
C11548
4.204818596
-
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl...
-
ME159753
-
-
4.214459769
-
10-Oxodecanoate
10-Oxodecanoic acid
ME159763
-
C02217
4.21588438
-
Traumatic acid
Traumatic acid
ME159618
-
C16308
4.216224703
-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid
-
ME159765
-
-
4.219741561
-
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoser...
-
ME159761
-
-
4.22681886
-
Apiole
Apiole
ME159427
-
C10429
4.229775747
-
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
ME159621
-
C05453
4.24859254
-
2-trans,6-trans-Farnesal
(2-trans,6-trans)-Farnesal
ME159481
-
C03461
4.250755268
-
Benzofuran
Benzofuran
ME159673
-
C14512
4.261381204
-
Furfural diethyl acetal
-
ME159511
-
C14280
4.26365718
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME159404
-
C08317
4.298216045
-
Abscisic aldehyde
Abscisic aldehyde
ME159624
-
C13455
4.303040875
-
Diethyl adipate
-
ME159508
-
C14566
4.303080785
-
10-oxogeranial
-
ME159615
-
C17622
4.321411204
-
[FA oxo(7:0)] 2-oxo-heptanoic acid
-
ME159754
-
-
4.322040085
-
[FA (8:1)] 2Z-octenoic acid
-
ME159745
-
-
4.348771107
-
[FA (8:0)] octanoic acid
Caprylic acid
ME159282
-
C06423
4.349274454
-
Abscisic acid glucose ester
-
ME159368
-
C15970
4.359858031
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionone
(6S)-Dehydrovomifoliol
ME159758
-
C04223
4.360909132
-
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-oc...
9,12,13-TriHOME
ME159341
-
C14833
4.395887348
-
Cyclohexane-1,3-dione
Cyclohexane-1,3-dione
ME159741
-
C01066
4.399335853
-
Brassicanal A
Brassicanal A
ME159749
-
C11048
4.422050014
-
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-pho...
LPC 17:1
ME159648
-
-
4.432966941
-
ancymidol
Ancymidol
ME159458
-
-
4.449309285
-
LysoPE(0:0/20:2(11Z,14Z))
LPE 0:0/20:2(11Z,14Z)*
ME159654
-
-
4.465231877
-
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosp...
-
ME159707
-
-
4.471175719
-
Indole-3-acetaldehyde
Indoleacetaldehyde
ME159326
-
C00637
4.480790933
-
N-Undecanoylglycine
N-Undecanoylglycine
ME159500
-
-
4.491427829
-
N-hexanoyl-D,L-homoserine lactone
-
ME159750
-
-
4.511086053
-
5-Phenyl-1,3-oxazinane-2,4-dione
-
ME159631
-
C16596
4.511756679
-
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphat...
LPA 18:0
ME159557
-
C00416
4.51401264
-
[FA oxo(8:0)] 3-oxo-octanoic acid
-
ME159512
-
-
4.5252823
-
Quassin
Quassin
ME159485
-
C08778
4.535705971
-
[FA methyl(6:0)] 2-methyl-hexanoic acid
-
ME159497
-
-
4.539999815
-
Sinapoyl aldehyde
Sinapoyl aldehyde
ME159549
-
C05610
4.541617577
-
Glucosyl sphingosine
Psychosine
ME159663
-
-
4.554659178
-
Tetranor-PGE1
Tetranor-PGE1
ME159692
-
-
4.559994964
-
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME159594
-
C05466
4.569219571
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME159616
-
C16322
4.586600407
-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...
Chenodeoxycholic acid
ME159568
-
C02528
4.589966695
-
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME159744
-
C03864
4.597244977
-
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...
LPE P-16:0 or LPE O-16:1
ME159724
-
-
4.597940838
-
LPA(0:0/18:1(9Z))
LPA 0:0/18:1(9Z)
ME159577
-
C00416
4.606492869
-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
-
ME159756
-
-
4.614501026
-
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphat...
LPA 16:0
ME159550
-
C00416
4.634224795
-
Obliquine
Obliquine
ME159641
-
C12183
4.641412751
-
[FA (10:1/2:0)] 2E-Decenedioic acid
-
ME159764
-
-
4.650442814
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME159733
-
-
4.697019176
-
Phenylpyruvate
Phenylpyruvic acid
ME159266
-
C00166
4.703501287
-
Capryloylglycine 2
Capryloylglycine
ME159499
-
-
4.707806044
-
Arecoline
Arecoline
ME159422
-
C10129
4.721362009
-
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME159335
-
C00671
4.74791225
-
4-Propylphenol
4-Propylphenol
ME159510
-
C14311
4.749775934
-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...
Depdecin
ME159759
-
-
4.754454839
-
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
ME159727
-
C04718
4.75861349
-
Hexanoic acid
Caproic acid
ME159286
-
C01585
4.76947787
-
metabolite 1
-
ME159466
-
-
4.782226994
-
Gentisate aldehyde
Gentisate aldehyde
ME159299
-
C05585
4.785461819
-
(4E)-2-Oxohexenoic acid
2-Oxo-4E-hexenoic acid
ME159491
-
C06761
4.786297273
-
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3...
-
ME159731
-
-
4.79296234
-
3-Hydroxydodecanedioicacid
3-Hydroxy-dodecanedioic acid
ME159760
-
-
4.793915733
-
Cantleyine
Cantleyine
ME159397
-
C09933
4.799109813
-
[FA (13:0/2:0)] Tridecanedioic acid
Tridecanedioic acid
ME159431
-
-
4.808469626
-
Demethyltorosaflavone D
Demethyltorosaflavone D
ME159698
-
-
4.812966883
-
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid
-
ME159480
-
-
4.815226598
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME159493
-
C04067
4.816468122
-
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2...
-
ME159776
-
-
4.819839767
-
Stealthin C
Stealthin C
ME159752
-
C12392
4.82169889
-
8-keto-7-aminoperlagonate
-
ME159726
-
-
4.821822591
-
Phenylacetylglycine
Phenylacetylglycine
ME159273
-
C05598
4.824708422
-
Pentanoate
Valeric acid
ME159436
-
C00803
4.826240295
-
Flaccidin B
Flaccidin B
ME159400
-
C08943
4.829686674
-
Vanilpyruvicacid
Vanilpyruvic acid
ME159448
-
-
4.840498101
-
ethylpyruvate
-
ME159468
-
-
4.843604417
-
N-Butyryl-L-homoserine lactone 2
N-Butyryl-L-homoserine lactone
ME159716
-
C11837
4.957546836
-
2-Formaminobenzoylacetate
-
ME159300
-
C05835
4.982896075
-
Phenol sulfate
Phenyl hydrogen sulfate
ME159691
-
C02180
5.176106923
-
Oxoamide
Oxoamide
ME159558
-
-
5.420949809
-
Indole-5,6-quinone
Indole-5,6-quinone
ME159330
-
C05579
5.448583579
-
N-Hydroxy-1-aminonaphthalene
-
ME159636
-
C14789
5.6409693
-
Zoxazolamine
Zoxazolamine
ME159519
-
C13841
5.814205043
-
Phenol
Phenol
ME159363
-
C00146
5.942886533
-
(6Z)-Octadecenoic acid
6-Octadecylenic acid
ME159457
-
C08363
6.002920268
-
perchlorate
-
ME159407
-
-
6.090334822
-
4-Hydroxyhexan-3-one
4-Hydroxyhexan-3-one
ME159451
-
C02948
7.295139058
-
2-Octenedioicacid
2-Octenedioic acid
ME159704
-
-
7.301107833
-
[FA (18:2)] 9Z,11E-octadecadienoic acid
Rumenic acid
ME159349
-
C04056
7.322869429
-
N-Undecanoylglycine 2
N-Undecanoylglycine
ME159723
-
-
7.327220482
-
2-Hydroxyethanesulfonate 2
2-Hydroxyethanesulfonate
ME159576
-
C05123
7.358446641
-
LPA(18:2(9Z,12Z)/0:0)
LPA 18:2(9Z,12Z)/0:0*
ME159537
-
C00416
7.364927775
-
Maleamate
Maleamate
ME159548
-
C01596
7.369127839
-
Vinylacetylglycine 2
Vinylacetylglycine
ME159657
-
-
7.369363094
-
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate
ME159720
-
C02975
7.377532875
-
Capryloylglycine
Capryloylglycine
ME159401
-
-
7.379727018
-
LPA(0:0/18:0)
LPA 0:0/18:0
ME159545
-
C00416
7.381761409
-
Met-Ala
Met-Ala
ME159786
-
-
7.382055219
-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
ME159679
-
-
7.389492849
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME159453
-
C12600
7.390574043
-
LPA(0:0/16:0)
LPA 0:0/16:0
ME159573
-
C00416
7.39328311
-
Dichloroacetate
Dichloroacetic acid
ME159639
-
C11149
7.395475873
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME159538
-
C03519
7.398267444
-
trans-4-Hydroxycyclohexanecarboxylate
4-Hydroxycyclohexylcarboxylic acid
ME159489
-
C04404
7.403004835
-
3-Methylbutanoic acid
Isovaleric acid
ME159588
-
C08262
7.408236302
-
N-Acetyl-L-leucine
N-Acetylleucine
ME159394
-
C02710
7.408579872
-
Benzoate
Benzoic acid
ME159256
-
C00180
7.409190517
-
Otonecine
Otonecine
ME159429
-
C10356
7.409791374
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME159306
-
C03087
7.411103012
-
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME159675
-
C02804
7.411303389
-
4-(2-Aminophenyl)-2,4-dioxobutanoate
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME159293
-
C01252
7.413209974
-
5,6-Dihydroxyindole-2-carboxylate
5,6-Dihydroxyindole-2-carboxylic acid
ME159390
-
C04185
7.413560862
-
Butanoic acid
Butyric acid
ME159318
-
C00246
7.415586724
-
N-Formyl-L-methionine
N-Formylmethionine
ME159602
-
C03145
7.41578685
-
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME159542
-
C01250
7.416784212
-
N-Butyryl-L-homoserine lactone
N-Butyryl-L-homoserine lactone
ME159680
-
C11837
7.418123835
-
Indoxylsulfate
Indoxyl sulfate
ME159650
-
-
7.419286225
-
3,4-dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME159426
-
-
7.424162462
-
Phenylacetaldehyde
Phenylacetaldehyde
ME159610
-
C00601
7.424749827
-
L-2-Aminoadipate 6-semialdehyde
Allysine
ME159581
-
C04076
7.429184211
-
5-Hydroxycotinine
-
ME159601
-
-
7.47978605
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME159305
-
C00940
7.546246523
-
cis-3-Chloroacrylic acid
cis-3-Chloroacrylic acid
ME159638
-
C06615
7.671277397
-
3-(4-Hydroxyphenyl)pyruvate
4-Hydroxyphenylpyruvic acid
ME159351
-
C01179
7.681496925
-
penem CGP31608 2
-
ME159513
-
-
7.741840411
-
Sulmazole
Sulmazole
ME159392
-
C13749
7.811060044
-
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxyp...
-
ME159523
-
-
7.830176152
-
(R)-3-Hydroxybutanoate
3R-Hydroxybutyric acid
ME159324
-
C01089
7.858494928
-
A-Ketoglutaricacidoxime
alpha-Ketoglutaric acid oxime
ME159518
-
-
7.901420539
-
Pyruvate
Pyruvic acid
ME159258
-
C00022
7.98386139
-
Thiopental
Thiopental
ME159697
-
C07521
8.033128216
-
N-Acetyl-D-fucosamine 2
N-Acetyl-D-fucosamine
ME159520
-
C15480
8.217878372
-
Monomethyl sulfate
Methyl sulfate
ME159465
-
C02704
8.242760786
-
L-Glutamate 5-semialdehyde 2
L-Glutamic-gamma-semialdehyde
ME159606
-
C01165
8.371853678
-
Camoensine
Camoensine
ME159683
-
C10758
8.458324033
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME159734
-
-
8.460362957
-
Glutarylglycine
Glutarylglycine
ME159746
-
-
8.461041629
-
indole-3-acetyl-valine
-
ME159674
-
-
8.465407521
-
(R)-AMAA
-
ME159528
-
C13739
8.659579425
-
(R)-2,3-Dihydroxy-3-methylbutanoate
(R)-2,3-Dihydroxy-isovalerate
ME159314
-
C04272
8.689525193
-
homovanillate
Homovanillic acid
ME159369
-
C05582
8.789861889
-
2-Oxosuccinamate
2-Oxosuccinamic acid
ME159384
-
C02362
8.813233576
-
hydrogen iodide
-
ME159460
-
C05590
9.023740931
-
2,2-Iminodipropanoate
-
ME159440
-
C03210
9.28994027
-
(S)-Lactate
Lactic acid
ME159348
-
C00186
9.40721536
-
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
-
ME159498
-
C06326
9.556933025
-
Iminoaspartate
Iminoaspartic acid
ME159387
-
C05840
9.968733317
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel