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Return to study ST003179 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
11-nitro-1-undecene
-
ME831123
-
-
3.248960431
-
"1,2,3-Tris(1-ethoxyethoxy)propane"
-
ME831086
-
-
3.129931948
-
"1,2-Dihydroxy-3-keto-5-methylthiopentene"
1,2-Dihydroxy-3-keto-5-methylthiopentene
ME830319
-
C15606
6.108261617
-
1(2H)-Isoquinolinone
-
ME831052
-
C06324
8.978108368
-
"(1,3-diphenylpropoxy)sulfonic acid"
-
ME830958
-
-
12.12294011
-
1-5-diazabicyclononane
-
ME830312
-
-
10.94465832
-
15(R)-hydroperoxy-EPE
-
ME831168
-
-
8.271131939
-
"16-bromo-hexadecadien-5,13-diynoic acid"
-
ME830424
-
-
9.977819214
-
16-dimethylarsinoyl-hexadecenoic acid
-
ME830976
-
-
11.02463175
-
17-AAG
-
ME831033
-
-
10.60232254
-
1-Caffeoyl-4-deoxyquinic acid
-
ME831122
-
C10432
11.25352315
-
1-dimethylarsinoyl-decane
-
ME830951
-
-
12.12832591
-
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-gl...
-
ME830468
-
-
2.190226082
-
1H-Indole-3-acetamide
1H-Indole-3-acetamide
ME830338
-
C02693
6.008171527
-
1-Methylhistidine
1-Methylhistidine
ME830326
-
C01152
6.268812519
-
1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-ei...
-
ME830455
-
-
2.368820445
-
1-octyl-2-octyl-sn-glycero-3-phosphocholine
-
ME830436
-
-
5.962965851
-
1-Pyrroline-5-carboxylic acid
1-Pyrroline-5-carboxylic acid
ME830318
-
C04322_C03912
10.9653389
-
20-hydroxy-prefusarin
-
ME830952
-
-
15.57286011
-
2-{[1-(R)-Carboxyethyl]amino}pentanoate
-
ME831031
-
C06326
6.885966682
-
"2,3-Butanediol glucoside"
-
ME831069
-
-
6.033563368
-
"2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-meth...
-
ME830962
-
-
14.16557291
-
2-acetamidoglucal
-
ME831042
-
-
9.412856844
-
"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxym...
-
ME831128
-
-
6.026823595
-
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine
-
ME830447
-
-
3.972382507
-
2-Amino-3-(1-pyrazolyl)propanoic acid
3-(Pyrazol-1-yl)-L-alanine
ME831084
-
C01162
12.5186854
-
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic a...
-
ME830959
-
-
8.942435811
-
"2-Amino-9,10-epoxy-8-oxodecanoic acid"
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME830429
-
C12027
9.607654741
-
2-Aminoheptanoate
2-Aminoheptanoic acid
ME830488
-
-
9.91495408
-
2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]am...
-
ME831053
-
-
11.79835956
-
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME830448
-
-
4.415928438
-
2-Keto-6-acetamidocaproate
2-Keto-6-acetamidocaproic acid
ME830305
-
C05548
6.050204934
-
2-methyladenine ribotide phosphate
-
ME831055
-
-
7.583559163
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME831057
-
-
6.04883336
-
2-methylphosphinoyl-2-hydroxyacetate
-
ME831167
-
-
11.23347147
-
"2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine"
N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine
ME831125
-
C06446
6.03066747
-
2-nitro-1-propanol
-
ME830960
-
-
8.7508933
-
2-Nitropropane
-
ME831037
-
C02116
6.021002049
-
2-(N-Methyl-perfluorooctane sulfanamido) acetic ac...
-
ME830953
-
-
12.25372256
-
2-Nonenoic acid
-
ME830430
-
-
3.018659442
-
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate ...
-
ME830950
-
-
12.52446558
-
2-Oxoarginine
2-Oxoarginine
ME830316
-
C03771
17.02567495
-
2-Pyrrolidinone
2-Pyrrolidinone
ME831164
-
C11118
11.45107079
-
"(2R*,3R*)-1,2,3-Butanetriol"
1,2,3-Butanetriol
ME831023
-
-
5.689687517
-
"(2R,4S)-2,4-Diaminopentanoate"
-
ME830340
-
C03943
15.46792518
-
"3-(3,4-Dihydroxyphenyl)lactic acid"
-
ME830306
-
C01207
6.847261658
-
"3,4,5-trihydroxy-6-({17-hydroxy-11,18-dimethoxy-1...
-
ME830967
-
-
8.966215007
-
"3',4',5'-Trimethoxycinnamyl alcohol acetate"
-
ME830994
-
-
6.001999982
-
"3,4-dichloro-tridecanoic acid"
-
ME830435
-
-
6.016825765
-
"3,4-dihydroxybenzoate-spermidine"
-
ME830969
-
-
19.34077793
-
"3,4-Dihydroxymandelic acid"
3,4-Dihydroxymandelic acid
ME830311
-
C05580
11.08778048
-
3'-amino-3'-deoxyadenosine
-
ME830984
-
-
9.675680033
-
(3-Arylcarbonyl)-alanine
-
ME831117
-
C03450
6.029334026
-
3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
-
ME831088
-
-
6.027702177
-
3-(Cystein-S-yl)acetaminophen
3-(Cystein-S-yl)acetaminophen
ME831092
-
-
6.319377518
-
3-Deoxyvitamin D3
3-Deoxyvitamin D3
ME830444
-
-
6.148015981
-
3-Indoleacetaldoxime
-
ME831083
-
C02937
4.686354129
-
3-Methyleneoxindole
3-Methyleneoxindole
ME831115
-
C02796
6.074688628
-
3-nitro-2-butanol
-
ME830979
-
-
7.975556225
-
3-nitro-2-pentanol
-
ME831139
-
-
6.02230623
-
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5'
-
ME831016
-
-
10.68095088
-
3-tert-Butyl-5-methylcatechol
3-tert-Butyl-5-methylcatechol
ME831152
-
C03929
6.014537409
-
4-Acetamido-2-aminobutanoic acid
-
ME830315
-
C06442
8.752457725
-
4-Guanidinobutanamide
4-Guanidinobutanamide
ME830301
-
C03078
17.01791662
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME830309
-
C01035
17.06275365
-
4-Hydroxybutyric acid
4-Hydroxybutyric acid
ME830383
-
C01991_C00989
6.019378798
-
4-Hydroxyglucobrassicin
4-Hydroxy-3-indolylmethylglucosinolate
ME831078
-
C08422
11.50956253
-
4-Methylaminobutyrate
4-(Methylamino)butyric acid
ME830528
-
C15987
8.008695857
-
4-Pyridoxolactone
4-Pyridoxolactone
ME830516
-
C00971
6.056088914
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME831099
-
C04114
8.038435427
-
5-Amino-3-oxohexanoate
-
ME830323
-
C03656
9.480738195
-
5-Aminopentanoic acid
5-Aminopentanoic acid
ME830363
-
C00431
9.490562524
-
5'-Dehydroadenosine
5'-Dehydroadenosine
ME830982
-
C11500
10.52203756
-
5'-deoxyuridine
-
ME831045
-
-
10.67874079
-
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME830336
-
C05648
10.5126682
-
5'-methoxy-6'-chloroarmillane
-
ME831142
-
-
10.65650162
-
5-Methoxytryptophan
5-Methoxytryptophan
ME831029
-
-
6.434068743
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME830359
-
C00170
6.026824294
-
5'-methylthioformycin
-
ME831058
-
-
4.818555074
-
5-Nitro-2-(3-phenylpropylamino)benzoic acid
NPPB
ME831146
-
C13705
6.021448288
-
5-Valerolactone
5-Valerolactone
ME831036
-
C02240
3.116070324
-
"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chrom...
-
ME831017
-
-
10.65274999
-
"{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hyd...
-
ME831015
-
-
10.47387578
-
"6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxy...
-
ME831013
-
-
9.041922607
-
"6,7-Dimethyl-8-(1-D-ribityl)lumazine"
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME830529
-
C04332
10.06539322
-
6-Acetamido-3-aminohexanoate
-
ME831077
-
C03846
9.161004766
-
6-allyl-8b-Carboxy-ergoline
-
ME831079
-
-
8.328697925
-
6-Amino-9H-purine-9-propanoic acid
-
ME830973
-
-
7.318879979
-
6-Hydroxy-R-acenocoumarol
-
ME831001
-
-
9.982191226
-
6-Methyltetrahydropterin
6-Methyltetrahydropterin
ME831141
-
-
7.955969162
-
6-O-Methylarmillaridin
-
ME830949
-
-
11.98051453
-
"7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy...
-
ME831105
-
-
6.382545878
-
9'-Carboxy-alpha-chromanol
-
ME831140
-
-
2.321239588
-
9-mercaptodethiobiotin
-
ME830519
-
-
6.899824982
-
Acetylcarnitine
CAR 2:0
ME830352
-
C02571
8.122102759
-
Acetyl-CoA
Acetyl-CoA
ME830382
-
C00024
9.286813253
-
Acetylhomoserine
-
ME830332
-
C05700_C01077
8.438765335
-
Acetylphosphopantetheine
-
ME830955
-
C03725
6.715199916
-
Acrimarine N
-
ME831022
-
-
7.71872083
-
acyl phosphatidylglycerol (n-C12:0)
-
ME831106
-
-
3.600782471
-
Adenosine
Adenosine
ME830542
-
C00212
6.90025692
-
Adenosine monophosphate
AMP
ME830548
-
D06299_C00020
10.46285794
-
Adenosylhomocysteine
S-Adenosylhomocysteine
ME830356
-
C00021
10.00593506
-
ADP
ADP
ME830387
-
C00008
11.50822578
-
Agaritinal
Agaritinal
ME831120
-
-
6.033840919
-
Ajmaline
Ajmaline
ME830378
-
C06542
8.04809653
-
AK toxin I
AK toxin I
ME831008
-
C16787
10.03343669
-
Ala/Ala
Ala-Ala
ME830879
-
C00993
6.054752753
-
Ala/Ala/Ala/Arg
-
ME830745
-
-
10.23743169
-
Ala/Ala/Ala/Asn
-
ME830767
-
-
11.01549586
-
Ala/Ala/Ala/Ser
-
ME830762
-
-
12.0311999
-
Ala/Ala/Asn/Gln
-
ME830749
-
-
10.87363098
-
Ala/Ala/Asn/Ser
-
ME830761
-
-
10.34042918
-
Ala/Ala/Asp
Ala-Ala-Asp
ME830775
-
-
10.97385747
-
Ala/Ala/Glu/Arg/Tyr
-
ME830677
-
-
6.240109126
-
Ala/Ala/Glu/Glu/His
-
ME830743
-
-
9.467517395
-
Ala/Ala/Glu/Ile/Gln
-
ME830559
-
-
10.54100952
-
Ala/Ala/Glu/Ile/Pro
-
ME830938
-
-
6.023026606
-
Ala/Ala/Glu/Trp/Trp
-
ME830812
-
-
6.039049123
-
Ala/Ala/Gly/His
-
ME830882
-
-
8.777654114
-
Ala/Ala/His
Ala-Ala-His
ME830918
-
-
7.415784124
-
Ala/Ala/Ile/Pro/Gln
-
ME830816
-
-
6.042060827
-
Ala/Ala/Phe/His/Arg
-
ME830740
-
-
6.379398346
-
Ala/Ala/Pro/Arg/Tyr
-
ME830881
-
-
6.019906591
-
Ala/Ala/Thr
Ala-Ala-Thr
ME830683
-
-
12.24340581
-
Ala/Arg
Ala-Arg
ME830633
-
-
12.01889582
-
Ala/Arg/Val/Tyr/Tyr
-
ME830753
-
-
6.020438775
-
Ala/Asn/Asp/Ser
-
ME830889
-
-
17.98038203
-
Ala/Asn/Pro/Pro
-
ME830676
-
-
6.056464996
-
Ala/Asn/Ser
Ala-Asn-Ser
ME830624
-
-
12.53310008
-
Ala/Asn/Ser/Tyr/Tyr
-
ME830576
-
-
7.769312936
-
Ala/Asp/Asp/Ile/Ile
-
ME830787
-
-
6.178415044
-
Ala/Asp/Cys
Ala-Asp-Cys
ME830868
-
-
12.12043484
-
Ala/Asp/Gln/Gln
-
ME830722
-
-
11.70088923
-
Ala/Asp/Gln/Pro
-
ME830596
-
-
10.80508044
-
Ala/Asp/Gly/Arg
-
ME830857
-
-
11.51905757
-
Ala/Asp/Ile/Gln/Val
-
ME830718
-
-
10.49369003
-
Ala/Asp/Ile/Pro/Thr
-
ME830861
-
-
6.034496663
-
Ala/Asp/Lys/Val/Tyr
-
ME830742
-
-
6.026762496
-
Ala/Asp/Met/Pro/Val
-
ME830575
-
-
7.926084665
-
Ala/Asp/Met/Thr/Thr
-
ME830915
-
-
10.06315664
-
Ala/Asp/Phe/Pro/Arg
-
ME830807
-
-
6.568895798
-
Ala/Asp/Phe/Pro/Trp
-
ME830631
-
-
7.34178922
-
Ala/Asp/Pro/His
-
ME830586
-
-
10.72203341
-
Ala/Asp/Ser
Ala-Asp-Ser
ME830675
-
-
11.83059998
-
Ala/Asp/Ser/Ser/Trp
-
ME830835
-
-
10.12407425
-
Ala/Cys/Cys/Cys/Asn
-
ME830825
-
-
9.880189056
-
Ala/Cys/His/His/Lys
-
ME830598
-
-
8.734039307
-
Ala/Cys/His/Lys/Ser
-
ME830561
-
-
9.023619275
-
Ala/Cys/Lys/Met/Tyr
-
ME830794
-
-
3.60658863
-
Ala/Cys/Lys/Ser/Thr
-
ME830727
-
-
7.415224202
-
Ala/Gln
Ala-Gln
ME830689
-
-
9.586503245
-
Ala/Gln/Gln/Ser
-
ME830643
-
-
11.00172859
-
Ala/Gln/Gln/Tyr
-
ME830796
-
-
8.032020849
-
Ala/Glu
Ala-Glu
ME830663
-
-
11.55310834
-
Ala/Glu/Asn/Ile
-
ME830587
-
-
9.096878792
-
Ala/Glu/Ile/Lys/Thr
-
ME830836
-
-
6.03900828
-
Ala/Glu/Ile/Pro/Thr
-
ME830944
-
-
6.032865929
-
Ala/Glu/Lys/Lys/Trp
-
ME830798
-
-
6.600905524
-
Ala/Glu/Lys/Lys/Tyr
-
ME830849
-
-
5.988672536
-
Ala/Glu/Lys/Pro/Pro
-
ME830640
-
-
6.860621054
-
Ala/Glu/Met/Pro/Thr
-
ME830680
-
-
6.270088348
-
Ala/His
Ala-His
ME830818
-
-
9.213772481
-
Ala/His/Ile/Ile/Gln
-
ME830913
-
-
7.983367513
-
Ala/His/Met/Arg/Thr
-
ME830822
-
-
10.84223658
-
Ala/Ile/Ala/Ile
-
ME830671
-
-
7.113690847
-
Ala/Ile/Lys/Lys/Trp
-
ME830898
-
-
5.962010447
-
Ala/Leu/Ala/Gln
-
ME830704
-
-
9.366055908
-
Ala/Leu/Ala/Ser
-
ME830717
-
-
10.05018824
-
Ala/Leu/Asn/Ser
-
ME830934
-
-
10.90395498
-
Ala/Leu/Asp/Asp
-
ME830805
-
-
8.151318309
-
Ala/Leu/Asp/Pro
-
ME830550
-
-
8.439082305
-
Ala/Leu/Asp/Ser
-
ME830766
-
-
11.05743116
-
Ala/Leu/Cys/Gln
-
ME830693
-
-
9.477544912
-
Ala/Leu/Gly/Pro
-
ME830560
-
-
6.080609494
-
Ala/Leu/Gly/Ser
-
ME830853
-
-
10.64139664
-
Ala/Leu/Lys/Pro
-
ME830909
-
-
14.5074558
-
Ala/Leu/Met/Ser/Thr
-
ME830647
-
-
7.524585902
-
Ala/Leu/Ser/Ser
-
ME830831
-
-
10.81641678
-
Ala/Leu/Thr/Ala
-
ME830922
-
-
10.59998413
-
Ala/Leu/Val/Ser
-
ME830650
-
-
8.857659149
-
Ala/Lys/Ala/Ala
-
ME830634
-
-
10.35515885
-
Ala/Lys/Ala/Gln
-
ME830572
-
-
10.82301673
-
Ala/Lys/Asn/Arg/Ser
-
ME830569
-
-
10.08738505
-
Ala/Lys/Asn/Pro/Tyr
-
ME830880
-
-
5.991686681
-
Ala/Lys/Gln/Thr/Tyr
-
ME830558
-
-
6.055542344
-
Ala/Lys/Gln/Val/Tyr
-
ME830843
-
-
6.000742493
-
Ala/Lys/Val/Gly
-
ME830833
-
-
9.420707601
-
Ala/Lys/Val/Pro
-
ME830809
-
-
14.77307409
-
Ala/Met/Met/His
-
ME830599
-
-
11.12927833
-
Ala/Met/Met/Pro
-
ME830797
-
-
7.637106679
-
Ala/Met/Thr/Ser
-
ME830878
-
-
10.28343084
-
Alanine
Alanine
ME830349
-
C00041_C00133
11.05405765
-
Ala/Phe/Ala/Ala
-
ME830931
-
-
6.012948278
-
Ala/Phe/His/Ile/Lys
-
ME830786
-
-
6.023659939
-
Ala/Phe/His/Pro/Arg
-
ME830903
-
-
6.035250829
-
Ala/Pro
Ala-Pro
ME830936
-
-
8.931465869
-
Ala/Pro/Pro
Ala-Pro-Pro
ME830602
-
-
8.907711479
-
Ala/Pro/Pro/Ser
-
ME830730
-
-
6.217964198
-
Ala/Pro/Ser/Ser
-
ME830826
-
-
9.540432332
-
Ala/Thr/Ala/Gln
-
ME830793
-
-
11.67338994
-
Ala/Thr/Ala/Pro
-
ME830723
-
-
7.983264999
-
Ala/Thr/Ala/Ser
-
ME830665
-
-
10.84383509
-
Ala/Thr/Trp/Arg
-
ME830750
-
-
7.774013138
-
Ala/Thr/Val/Val
-
ME830711
-
-
7.746859182
-
Ala/Trp/Pro/Pro
-
ME830629
-
-
6.919017461
-
Ala/Trp/Pro/Tyr
-
ME830790
-
-
8.651074168
-
Ala/Tyr
Ala-Tyr
ME830688
-
-
6.087155554
-
Ala/Val/Ala/Asn
-
ME830685
-
-
10.56255
-
Ala/Val/Asn/Pro
-
ME830821
-
-
10.41970245
-
Ala/Val/Asp/Pro
-
ME830724
-
-
9.279191691
-
Ala/Val/Gly/His
-
ME830834
-
-
10.7279271
-
Ala/Val/Gly/Pro
-
ME830828
-
-
7.495529989
-
Ala/Val/Ser/Ser
-
ME830751
-
-
9.927450765
-
Ala/Val/Val/Ser
-
ME830887
-
-
13.57809998
-
Alexine
-
ME831032
-
C10124
7.514000024
-
Allopurinol
Allopurinol
ME831129
-
D00224
11.70690983
-
Allylcysteine
S-Allylcysteine
ME831034
-
C16759
6.031540648
-
Aloesol 7-glucoside
-
ME831113
-
-
11.2946907
-
"alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyran...
-
ME830964
-
-
12.30989746
-
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(ox...
-
ME831064
-
-
19.40310415
-
alpha-D-desosamine
-
ME831110
-
-
9.366195015
-
alpha-NADP+
-
ME831098
-
-
12.43412425
-
Aminoacetone
Aminoacetone
ME830321
-
C01888
6.034364531
-
Anaferine
-
ME830377
-
C11358_C06183
20.03854853
-
Arg/Asp/Asp/Gly
-
ME830686
-
-
12.769505
-
Arg/Asp/Gly/Ser
-
ME830838
-
-
15.97540741
-
Arginine
Arginine
ME830364
-
C00792_C00062
17.02306942
-
Arg-OEt
Ethyl arginate
ME831156
-
C01404
15.0618138
-
Arg/Thr/Asp/Ser
-
ME830673
-
-
12.63506755
-
Arg/Trp/Gln/Arg
-
ME830563
-
-
15.96776858
-
Arg/Tyr
Arg-Tyr
ME830610
-
-
10.60330124
-
Asn/Asn
Asn-Asn
ME830741
-
-
10.73207418
-
Asn/Asn/Asp/Gly
-
ME830874
-
-
11.02467428
-
Asn/Asn/Ser/Tyr
-
ME830600
-
-
10.79407432
-
Asn/Gln/Thr/Tyr/Tyr
-
ME830925
-
-
8.095537128
-
Asn/Glu/Asp/Ile
-
ME830682
-
-
9.979328461
-
Asn/Glu/Ile/Pro
-
ME830781
-
-
9.248396556
-
Asn/Glu/Ile/Ser
-
ME830567
-
-
7.208216627
-
Asn/Glu/Ile/Tyr
-
ME830618
-
-
6.676976045
-
Asn/Glu/Ile/Val
-
ME830641
-
-
7.355605748
-
Asn/Gly/Pro
Asn-Gly-Pro
ME830758
-
-
7.10682251
-
Asn/Gly/Pro/Pro
-
ME830779
-
-
8.658616587
-
Asn/His
Asn-His
ME830700
-
-
10.16290009
-
Asn/Leu/Gly/Pro
-
ME830637
-
-
7.519184163
-
Asn/Leu/Lys/Trp
-
ME830625
-
-
17.03486674
-
Asn/Leu/Met/Ser
-
ME830642
-
-
9.508206635
-
Asn/Leu/Thr/Pro
-
ME830594
-
-
7.350237898
-
Asn/Lys/Gly/Gly
-
ME830832
-
-
10.45397827
-
Asn/Met/Gln/Ser
-
ME830795
-
-
6.924472978
-
Asn/Met/Thr/Thr
-
ME830855
-
-
8.033599141
-
Asn/Pro/Arg/Thr/Trp
-
ME830829
-
-
6.064097468
-
Asn/Thr/Asp/Gly
-
ME830870
-
-
17.63538183
-
Asn/Thr/Thr/Tyr/Tyr
-
ME830823
-
-
8.642360234
-
Asn/Val/Asp/Gln
-
ME830636
-
-
10.39062973
-
Asparagine
Asparagine
ME830346
-
C00152_C01905
11.6443542
-
Asp/Asn/Asn/Asn/Ser
-
ME830690
-
-
9.191654104
-
Asp/Asp/Asp/Arg/Tyr
-
ME830875
-
-
8.766172434
-
Asp/Asp/Gln/Pro
-
ME830621
-
-
12.19610331
-
Asp/Asp/His/Asn/Asn
-
ME830681
-
-
10.07530838
-
Asp/Asp/Ile/Lys/Pro
-
ME830815
-
-
6.043526662
-
Asp/Cys/Cys/Ser
S-Glutathionyl-cysteine
ME830627
-
-
12.64102628
-
Asp/Gln/Arg/Val/Trp
-
ME830712
-
-
6.288865051
-
Asp/Glu/Glu/Glu/Ile
-
ME830811
-
-
6.051092504
-
Asp/Glu/Glu/Lys/Lys
-
ME830919
-
-
2.614150694
-
Asp/Glu/Leu/Met/Trp
-
ME830713
-
-
7.391742325
-
Asp/Glu/Lys/Met/Thr
-
ME830691
-
-
8.765505829
-
Asp/Gly/Asn/Asn/Asn
-
ME830872
-
-
9.868898163
-
Asp/His/His/Gln/Ser
-
ME830551
-
-
8.098194122
-
Asp/His/His/Lys/Met
-
ME830578
-
-
10.70372628
-
Asp/His/Ser/Ser/Ser
-
ME830754
-
-
11.53504578
-
Asp/Ile/Ile/Asn/Pro
-
ME830858
-
-
9.531178284
-
Asp/Ile/Lys/Lys/Ser
-
ME830645
-
-
10.28871918
-
Asp/Ile/Pro/Pro/Ser
-
ME830911
-
-
6.045824178
-
Asp/Leu/Lys/Lys
-
ME830910
-
-
15.16934418
-
Asp/Leu/Pro/Ser
-
ME830699
-
-
7.16330836
-
Asp/Lys/Lys/Pro/Tyr
-
ME830899
-
-
6.009076614
-
Asp/Met/Cys/Cys
-
ME830776
-
-
10.83705073
-
Asp/Met/Met/Arg/Tyr
-
ME830810
-
-
7.797979177
-
Asp/Phe/Gly/Gly
-
ME830863
-
-
8.740967407
-
Asp/Phe/Ile/Lys/Asn
-
ME830941
-
-
3.471491661
-
Asp/Phe/Lys/Gln/Tyr
-
ME830929
-
-
2.630739551
-
Asp/Phe/Phe/Pro/Pro
-
ME830613
-
-
8.643725771
-
Asp/Phe/Trp/Val
-
ME830770
-
-
8.806633352
-
Asp/Pro/Pro
Asp-Pro-Pro
ME830654
-
-
10.49757838
-
Asp/Pro/Val/Asn
-
ME830589
-
#N/A
9.675903135
-
Asp/Thr/Cys/Cys
-
ME830632
-
-
12.417915
-
Asp/Thr/Pro/Pro
-
ME830687
-
-
7.274963633
-
Asp/Val/Pro/Ser
-
ME830943
-
-
7.780559998
-
Avenanthramide 2s
-
ME831076
-
-
6.176895803
-
Avenic acid A
-
ME831097
-
-
11.17539083
-
bacteriochlorophyllide a
-
ME831048
-
-
6.025426636
-
Balenine
-
ME831014
-
-
6.058718313
-
Barbinine
Barbinine
ME831153
-
C08662
2.668802081
-
benzalkonium
-
ME831144
-
-
6.017761019
-
Benzoic acid
Benzoic acid
ME830322
-
C00180_C00539
10.04638077
-
benzoyl cyanide
-
ME830992
-
-
6.004906667
-
Biotin
Biotin
ME830521
-
C00120
7.00908165
-
Biotin amide
Biotin amide
ME831062
-
C01893
7.793420792
-
Bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME831131
-
C03690
3.539084721
-
Brunfelsamidine
Brunfelsamidine
ME830972
-
C10133
9.53816452
-
Butenylcarnitine
CAR 4:1
ME831003
-
-
9.172261047
-
Butyric acid
Butyric acid
ME830386
-
C00246
5.593475744
-
Carbidopa
-
ME830993
-
-
6.353537454
-
Carglumic acid
Carglumic acid
ME830302
-
C05829
11.86496328
-
Caribine
Caribine
ME831085
-
C08522
8.215726084
-
Carnitine
Carnitine
ME830344
-
C00318_C00487
9.928961902
-
Catalposide
-
ME831040
-
C09775
11.45650991
-
CDP
CDP
ME830533
-
C00112
12.18933345
-
Centarol
Centarol
ME831066
-
C09632
3.027364171
-
Cer(d42:2)
Cer 42:2;O2
ME830477
-
C00195
3.963757247
-
Cichorine
Cichorine
ME831090
-
C10581
3.27566736
-
Citicoline
CDP-choline
ME830505
-
C00307
11.39409917
-
Citrulline
Citrulline
ME830335
-
C00327
11.94233327
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME830341
-
C05673
11.43217402
-
Codeine
Codeine
ME830375
-
C06174
9.346429782
-
Cohibin A
-
ME830987
-
-
2.183970582
-
Cohibin C
-
ME831143
-
-
2.192826799
-
Convicine
Convicine
ME830966
-
C08430
13.88803828
-
Coproporphyrin I
Coproporphyrin I
ME830518
-
C05769
5.979187972
-
Coriandrone D
-
ME830963
-
-
2.125997893
-
Creatine
Creatine
ME830369
-
C00300
11.04705972
-
CTAB
-
ME831065
-
C11275
6.022299237
-
Cyclic AMP
3',5' cyclic AMP
ME830536
-
C00575
7.504064178
-
Cyclohex-2-enone
Cyclohex-2-enone
ME830965
-
C02395
5.991363843
-
"cyclopropane phosphatidylethanolamine (dihexadec-...
-
ME831145
-
-
5.415137439
-
Cys/Asn/Pro/Arg/Ser
-
ME830860
-
-
6.031419195
-
Cys/Asp/Asp/Met/Arg
-
ME830670
-
-
9.929800924
-
Cys/Asp/Glu/His/Trp
-
ME830923
-
-
2.632189571
-
Cys/Asp/Glu/Phe/Tyr
-
ME830927
-
-
2.646002081
-
Cys/Asp/Gly/His/Pro
-
ME830702
-
-
12.21894984
-
Cys/Asp/His/His/Thr
-
ME830726
-
-
7.72772583
-
Cys/Asp/Lys/Met/Asn
-
ME830738
-
-
11.99664169
-
Cys/Asp/Met/Arg/Trp
-
ME830906
-
-
8.659331073
-
Cys/Asp/Phe/Pro/Pro
-
ME830916
-
-
11.21034587
-
Cys/Cys/Asp/Asp/Thr
-
ME830649
-
-
13.00087775
-
Cys/Cys/Asp/Gly/Ser
-
ME830651
-
-
12.87950999
-
Cys/Cys/Asp/His/His
-
ME830674
-
-
19.39881931
-
Cys/Cys/Asp/Lys/Gln
-
ME830937
-
-
9.997602488
-
Cys/Cys/Asp/Pro/Trp
-
ME830920
-
-
2.621196567
-
Cys/Cys/Cys/Asp/Gly
-
ME830607
-
-
10.5808375
-
Cys/Cys/Gly/His/Lys
-
ME830746
-
-
10.42434499
-
Cys/Cys/His/His/Trp
-
ME830867
-
-
5.969067319
-
Cys/Cys/Ile/Lys/Pro
-
ME830799
-
-
10.63989426
-
Cys/Gly/Arg/Arg/Tyr
-
ME830928
-
-
2.667554167
-
Cys/Gly/His/Asn/Arg
-
ME830725
-
-
6.600766754
-
Cys/Gly/Pro
Cys-Gly-Pro
ME830904
-
-
7.784370804
-
Cys/His/His/Lys/Tyr
-
ME830764
-
-
5.990906677
-
Cys/His/Ile/Gln/Gln
-
ME830932
-
-
7.777441686
-
Cys/His/Lys/Asn/Pro
-
ME830679
-
-
7.00138087
-
Cys/His/Lys/Pro/Gln
-
ME830731
-
-
9.244726715
-
Cys/His/Lys/Tyr/Tyr
-
ME830846
-
-
14.08508624
-
Cys/Lys/Arg/Thr/Trp
-
ME830603
-
-
8.596806296
-
Cys/Lys/Asn/Arg/Tyr
-
ME830706
-
-
9.242293193
-
Cys/Lys/Pro/Pro
-
ME830639
-
-
6.515683305
-
Cys/Phe/Gly/Gly
-
ME830871
-
-
7.89173584
-
Cys/Phe/His/His/Asn
-
ME830734
-
-
6.044150011
-
Cys/Phe/Pro/Arg/Arg
-
ME830616
-
-
8.031477263
-
Cys/Phe/Trp/Trp/Trp
-
ME830638
-
-
19.31763522
-
Cys/Ser/Ser/Tyr/Tyr
-
ME830747
-
-
6.04051829
-
Cysteinyl-Hydroxyproline
-
ME831114
-
-
8.069291687
-
Cys/Thr/Thr/Thr
-
ME830653
-
-
9.608561656
-
Cys/Tyr
Cys-Tyr
ME830814
-
-
6.790849152
-
Cytidine
Cytidine
ME830538
-
C02961_C00475
9.170806352
-
Cytidine monophosphate
CMP
ME830543
-
C00055
12.18928752
-
Cytosine
Cytosine
ME830539
-
C00380
9.143781959
-
dADP
dADP
ME830537
-
C00206
10.85889257
-
dCMP
dCMP
ME830547
-
C00239
11.43022698
-
Deidaclin
-
ME831056
-
C08329
5.753904194
-
Demeclocycline
Demeclocycline
ME831054
-
-
10.60688573
-
Demecolcine
-
ME830374
-
C11250
9.480795076
-
Demethoxyfumitremorgin C
-
ME831109
-
-
8.210330443
-
Demethylated antipyrine
-
ME831024
-
C13008
7.977966685
-
Deoxyadenosine
Deoxyadenosine
ME830535
-
C00559
6.295256233
-
Deoxyadenosine monophosphate
dAMP
ME830544
-
C00360
9.748189138
-
Deoxycytidine
Deoxycytidine
ME830541
-
C00881
7.862126643
-
DG(39:0)
DG 39:0
ME830439
-
-
5.957037685
-
diamide
-
ME830986
-
-
17.03859166
-
Dieporeticenin
-
ME831026
-
-
2.186990827
-
Diethanolamine
Diethanolamine
ME830431
-
C06772
14.18027361
-
Dihydrothymine
Dihydrothymine
ME830545
-
C00906
11.09292912
-
dioctylamine
Dioctylamine
ME831135
-
-
5.986406357
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME831147
-
-
9.876241726
-
dodecyltrimethylammonium
-
ME830991
-
-
7.938117498
-
Dopa
DOPA
ME830354
-
C00355
6.030588892
-
Dopachrome
Dopachrome
ME830328
-
C01693_C15566
10.0577184
-
"dTDP-3,4-dioxo-2,6-dideoxy-D-glucose"
-
ME831005
-
C06620
10.46690165
-
Enigmol
-
ME830458
-
-
6.002254181
-
Epinephrine
Epinephrine
ME830314
-
C00788
6.025389544
-
Ergothioneine
Ergothioneine
ME830330
-
C05570
11.26939163
-
"erythro-(2R,3R)-dihydroxybutylamide"
-
ME831108
-
C11108
6.135708343
-
Erythrose 4-phosphate
Erythrose 4-phosphate
ME830381
-
C03109_C00279
9.953855523
-
Ethyl -3-hydroxybutyrate
-
ME831151
-
C03499
3.457730569
-
Ethyl beta-D-glucopyranoside
-
ME831061
-
-
6.341735374
-
Ethyl carbamate
Ethyl carbamate
ME831028
-
C01537
7.713628493
-
Eucaglobulin
-
ME831046
-
-
18.23897247
-
Fabianine
Fabianine
ME831063
-
C09949
6.372767364
-
FAD
FAD
ME830515
-
C00016
8.71750824
-
Fasoracetam
Fasoracetam
ME831075
-
C13311
6.024851375
-
FeHM
-
ME831111
-
-
19.44440969
-
Fenugreekine
-
ME831166
-
-
10.46781591
-
flutolanil
-
ME831134
-
-
6.02443517
-
Folic acid
Folic acid
ME830513
-
C00504
12.74271581
-
formylaminopyrimidine
-
ME831051
-
-
6.069286791
-
fumiquinazoline F-indoline-3'-ol
-
ME831089
-
-
8.061709239
-
Galactose 1-phosphate
Galactose 1-phosphate
ME830380
-
C15926_C01171_C00103_C00663_C01135_C11450_C03384_C01002_C00636_C03862_C00446
12.61987671
-
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME830366
-
C00334
11.63835699
-
Gamma-Butyrolactone
gamma-Butyrolactone
ME831039
-
C01770
3.439227527
-
gamma-Glutamylcysteine
gamma-Glutamylcysteine
ME830350
-
C00669
10.84137878
-
gamma-glutamyl-isopropylamide
-
ME831012
-
-
10.35730345
-
gamma-glutamyl-L-alaninol
-
ME830954
-
-
13.15078425
-
gamma-Glutamylleucine
gamma-Glutamylleucine
ME830847
-
-
10.72470088
-
Gamma-glutamyl-L-putrescine
gamma-Glutamylputrescine
ME830303
-
C15699
12.03333415
-
Gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME830304
-
C05695
12.30382991
-
Gln/Gln/Gln/Gln
-
ME830612
-
-
11.26466823
-
Gln/Gly/Pro/Pro
-
ME830585
-
-
8.788093983
-
Gln/Leu/Thr/Gln
-
ME830886
-
-
9.972273153
-
Gln/Trp/Pro/Tyr
-
ME830784
-
-
8.71977005
-
Glu/Ala/Gln/Pro
-
ME830570
-
-
6.859609061
-
Glu/Arg/Arg/Arg/Tyr
-
ME830908
-
-
14.07924415
-
Glu/Cys/Cys
Glu-Cys-Cys
ME830800
-
-
8.931230774
-
Glu/Cys/Thr
Glu-Cys-Thr
ME830804
-
-
9.193252462
-
Glu/Gln
Glu-Gln
ME830604
-
-
8.658978734
-
Glu/Glu/Gln/Ile
-
ME830582
-
-
10.22568193
-
Glu/Glu/Gln/Leu
-
ME830707
-
-
7.58802002
-
Glu/Glu/Glu/Ile/Met
-
ME830626
-
-
8.868049056
-
Glu/Glu/Glu/Lys/Trp
-
ME830595
-
-
9.182045307
-
Glu/Glu/Lys/Pro
-
ME830692
-
-
12.07940501
-
Glu/Glu/Met/Ser
-
ME830590
-
-
9.645360496
-
Glu/Glu/Phe/Phe/Arg
-
ME830597
-
-
7.272347132
-
Glu/Glu/Pro/Pro
-
ME830623
-
-
11.88496668
-
Glu/Gly
Glu-Gly
ME830617
-
-
12.40587367
-
Glu/His
Glu-His
ME830614
-
-
8.270419728
-
Glu/Ile/Gln/Gln
-
ME830584
-
-
10.8918205
-
Glu/Ile/Gln/Thr
-
ME830926
-
-
10.60470749
-
Glu/Ile/Ile/Gln/Trp
-
ME830609
-
-
6.013292496
-
Glu/Ile/Lys/Pro/Arg
-
ME830635
-
-
13.06376836
-
Glu/Ile/Pro/Pro
-
ME830802
-
-
8.579991709
-
Glu/Lys
Glu-Lys
ME830892
-
C04700
11.13290151
-
Glu/Lys/Lys/Gln/Tyr
-
ME830789
-
-
6.650418345
-
Glu/Lys/Pro/Gln/Tyr
-
ME830866
-
-
5.968228968
-
Glu/Met/Phe
Glu-Met-Phe
ME830865
-
-
8.968118388
-
Glu/Met/Thr
Glu-Met-Thr
ME830769
-
-
9.252203318
-
Glu/Phe/Lys/Gln/Val
-
ME830885
-
-
3.448611666
-
Glu/Pro/Glu
Glu-Pro-Glu
ME830628
-
#N/A
12.69007665
-
Glu/Pro/Pro
Glu-Pro-Pro
ME830900
-
-
10.50124079
-
Glu/Pro/Val
Glu-Pro-Val
ME830557
-
-
9.739578683
-
Glu/Ser/Thr
Glu-Ser-Thr
ME830736
-
-
11.79774923
-
Glutamine
Glutamine
ME830370
-
C00064_C00819
11.40595491
-
Glutathione
Glutathione
ME830367
-
C02471_C00051
10.87132013
-
Glu/Trp/Trp/Cys
-
ME830820
-
-
10.01282425
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME830512
-
C00670
10.64693671
-
Gly/His
Gly-His
ME830940
-
-
8.805252881
-
Gly/Leu
Gly-Leu
ME830791
-
C02155
6.62556466
-
Gly/Pro
Gly-Pro
ME830864
-
-
9.787816026
-
Gly/Pro/Arg
Gly-Pro-Arg
ME830579
-
-
11.57145979
-
Gly/Pro/Pro
Gly-Pro-Pro
ME830774
-
-
9.197774251
-
Gly/Ser/His
Gly-Ser-His
ME830778
-
-
9.797112427
-
Guanine
Guanine
ME830546
-
C00242
9.632012473
-
Guanosine
Guanosine
ME830534
-
C00387
9.734487457
-
Guanosine diphosphate
GDP
ME830532
-
C00035
13.70539754
-
Guanosine monophosphate
GMP
ME830531
-
C00144
12.64303657
-
Heliamine
Heliamine
ME831154
-
C09460
9.000524351
-
Heterophyllin
-
ME830415
-
-
2.138184722
-
Hexaethylene glycol
Hexaethylene glycol
ME831163
-
-
3.443156274
-
hexenedioylcarnitine
-
ME830989
-
-
2.157351377
-
Hexylamine
Hexylamine
ME831059
-
C08306
12.83730825
-
His/His/Asn/Trp/Trp
-
ME830897
-
-
14.07743765
-
His/His/His/Lys/Gln
-
ME830719
-
-
10.32762497
-
His/His/His/Lys/Tyr
-
ME830698
-
-
6.105282466
-
His/His/Lys/Met/Val
-
ME830615
-
-
7.962422689
-
His/Ile/Met/Arg/Thr
-
ME830803
-
-
9.844335887
-
His/Ile/Met/Met/Thr
-
ME830592
-
-
10.27852876
-
His/Ile/Met/Met/Trp
-
ME830622
-
-
15.97553075
-
His/Ile/Met/Pro/Arg
-
ME830848
-
-
6.181400884
-
His/Leu/Lys/Pro
-
ME830792
-
-
14.89363322
-
His/Lys/Trp/Ser
-
ME830780
-
-
6.498900859
-
His/Phe
His-Phe
ME830562
-
#N/A
6.186617964
-
Histidine
Histidine
ME830331
-
C06419_C00135
11.69028536
-
Histidine trimethylbetaine
Hercynine
ME830348
-
C05575
9.138313039
-
His/Val/Asp
His-Val-Asp
ME830660
-
#N/A
7.324238332
-
His/Val/Asp/Asp
-
ME830652
-
#N/A
11.63827413
-
Homoglutathione
Homoglutathione
ME831148
-
C04544
9.871144918
-
Homo-L-arginine
Homoarginine
ME830307
-
C01924
15.89627172
-
hydroxyisovaleroyl carnitine
CAR 4:0;OH,Me
ME831138
-
-
7.803356628
-
Hydroxyprolyl-Proline
-
ME831000
-
-
8.977377023
-
Hypoxanthine
Hypoxanthine
ME830549
-
C00262
7.958507623
-
Ile/Ala
Ile-Ala
ME830896
-
-
6.027450689
-
Ile/Ala/Gly
Ile-Ala-Gly
ME830666
-
-
10.3927738
-
Ile/Arg
Ile-Arg
ME830695
-
-
9.147824148
-
Ile/Asn
Ile-Asn
ME830709
-
-
7.658432515
-
Ile/Cys/Phe
Ile-Cys-Phe
ME830890
-
-
6.339169108
-
Ile/Cys/Tyr
Ile-Cys-Tyr
ME830813
-
-
7.723292542
-
Ile/Gly/His
Ile-Gly-His
ME830876
-
-
10.60928736
-
Ile/Gly/Met
Ile-Gly-Met
ME830552
-
-
8.666999956
-
Ile/Gly/Phe
Ile-Gly-Phe
ME830656
-
-
6.850310872
-
Ile/Gly/Pro
Ile-Gly-Pro
ME830669
-
-
6.51727697
-
Ile/Gly/Val
Ile-Gly-Val
ME830737
-
-
6.001757272
-
Ile/His/Ser
Ile-His-Ser
ME830733
-
-
10.51047587
-
Ile/His/Val
Ile-His-Val
ME830935
-
-
6.032172496
-
Ile/Lys
Ile-Lys
ME830735
-
-
9.248492533
-
Ile/Lys/Met/Met/Tyr
-
ME830772
-
-
6.033431125
-
Ile/Lys/Pro
Ile-Lys-Pro
ME830942
-
-
14.70373332
-
Ile/Lys/Ser
Ile-Lys-Ser
ME830710
-
-
12.60696828
-
Ile/Met/Ser/Thr/Tyr
-
ME830591
-
-
6.755378677
-
Ile/Met/Ser/Tyr
-
ME830620
-
-
7.018995845
-
Ile/Met/Thr/Ser
-
ME830782
-
-
8.466675059
-
Ile/Phe/Thr/Pro
-
ME830574
-
-
15.97139088
-
Ile/Pro
Ile-Pro
ME830921
-
-
9.64717848
-
Ile/Pro/Pro
Ile-Pro-Pro
ME830716
-
-
6.020957554
-
Ile/Pro/Ser
Ile-Pro-Ser
ME830606
-
-
10.04998631
-
Ile/Ser/Val
Ile-Ser-Val
ME830841
-
-
12.13135747
-
Ile/Thr
Ile-Thr
ME830827
-
-
6.032924143
-
Imidazoleacetic acid
Imidazoleacetic acid
ME830308
-
C02835
9.307556873
-
Iminoglycine
Dehydroglycine
ME830517
-
C15809
11.58046082
-
Indenestrol A
-
ME831021
-
C14546_C14545
7.228459218
-
indole-3-acetonitrile oxide
-
ME831025
-
-
6.051055307
-
Inosyl-L-homocysteine
-
ME831081
-
C03431
11.28545659
-
Isoleucine
Isoleucine
ME830357
-
C00407
8.201861106
-
Isonicotineamide
-
ME831161
-
C02421
10.51545554
-
Isopentyl beta-D-glucoside
-
ME831112
-
-
3.387350019
-
Isosophoranone
-
ME830418
-
-
10.41625765
-
Jasminine
-
ME831068
-
C09985
8.107689582
-
Kanzonol V
-
ME830999
-
-
7.717995046
-
Labienoxime
-
ME831071
-
-
19.42213186
-
Lenticin
Lenticin
ME831162
-
C09213
6.618135676
-
Leu/Ala
Leu-Ala
ME830930
-
-
9.440241727
-
Leu/Asn/Gly
Leu-Asn-Gly
ME830701
-
-
10.02195338
-
Leu/Asp
Leu-Asp
ME830888
-
-
9.551610396
-
Leucine
Leucine
ME830362
-
C16439_C00123_C01570
8.597181151
-
Leu/Gly/His
Leu-Gly-His
ME830748
-
-
7.294417521
-
Leu/Gly/Pro
Leu-Gly-Pro
ME830553
-
C01833
7.597699189
-
Leu/His
Leu-His
ME830771
-
#N/A
6.525497538
-
Leu/Leu/Pro/Ser
-
ME830840
-
-
7.113052071
-
Leu/Met/Thr/Ser
-
ME830739
-
-
8.066067505
-
Leu/Pro
Leu-Pro
ME830907
-
-
6.051554171
-
Leu/Pro/Ser
Leu-Pro-Ser
ME830554
-
-
6.804817619
-
Leu/Ser
Leu-Ser
ME830721
-
-
12.55970505
-
Leu/Ser/Tyr
Leu-Ser-Tyr
ME830851
-
-
16.02962986
-
Licoricone
Licoricone
ME830420
-
C17765
11.07533417
-
Linamarin
Linamarin
ME830980
-
C01594
9.948920848
-
"L,L-Cyclo(leucylprolyl)"
-
ME830977
-
-
14.58833758
-
Lotaustralin
Lotaustralin
ME831160
-
C08334
9.787310079
-
LPC
-
ME831004
-
-
8.834876709
-
Lupinate
Lupinic acid
ME830373
-
C01513
7.934568329
-
Lycoflexine
Lycoflexine
ME831127
-
C09879
5.558142365
-
Lys/Asn
Lys-Asn
ME830619
-
-
12.16320287
-
Lys/Asp/Pro
Lys-Asp-Pro
ME830573
-
-
10.95596064
-
Lys/Gly
Lys-Gly
ME830593
-
-
12.36252118
-
Lys/Gly/His
Lys-Gly-His
ME830605
-
-
11.76097865
-
Lys/His
Lys-His
ME830703
-
-
11.96994235
-
Lysine
Lysine
ME830345
-
C00739_C00047
15.97149311
-
"Lysine 1,6-lactam"
-
ME830342
-
C05328_C02837
11.26469226
-
Lys/Met/Met/Val/Tyr
-
ME830668
-
-
7.452425842
-
LysoPC(14:0)
LPC 14:0
ME830417
-
C04230
5.947694982
-
LysoPC(16:0)
LPC 16:0
ME830479
-
C04102_C04230
3.25495278
-
LysoPC(18:0)
LPC 18:0
ME830475
-
C04230
3.199731265
-
LysoPC(18:1)
LPC 18:1
ME830393
-
C03916_C04230
3.174501387
-
LysoPC(18:2)
LPC 18:2
ME830441
-
C04100_C04230
3.275868327
-
LysoPC(P-16:0)
LPC P-16:0
ME830478
-
C04230
3.293066699
-
LysoPE(14:0)
LPE 14:0
ME830416
-
-
5.983731503
-
LysoPE(16:0)
LPE 16:0
ME830451
-
-
5.949162315
-
LysoPE(18:0)
LPE 18:0
ME830422
-
-
5.900203627
-
LysoPE(18:1)
LPE 18:1
ME830481
-
-
3.305408325
-
LysoPE(O-18:0)
LPE O-18:0
ME830428
-
-
5.973543371
-
LysoPI(13:0)
LPI 13:0
ME830414
-
-
6.561166687
-
LysoPS(18:2)
LPS 18:2
ME830432
-
-
3.029828103
-
Lys/Phe
Lys-Phe
ME830697
-
-
15.13182424
-
Lys/Pro
Lys-Pro
ME830859
-
-
11.31801076
-
Lys/Pro/Pro
Lys-Pro-Pro
ME830705
-
-
11.69849253
-
Lys/Ser
Lys-Ser
ME830752
-
-
12.18083176
-
Lys/Thr/Ser/Tyr
-
ME830895
-
-
10.86758087
-
Lys/Trp/Val/Gly
-
ME830581
-
-
11.07299059
-
Lys/Tyr
Lys-Tyr
ME830806
-
-
9.22704244
-
Lys/Val/Pro
Lys-Val-Pro
ME830715
-
-
10.06008006
-
magnesium-protoporphyrin IX 13-monomethyl ester
-
ME830996
-
-
6.022178411
-
Majusculoic acid
Majusculoic acid
ME830419
-
-
11.59421677
-
manumycin B
-
ME830961
-
-
9.590929108
-
Mayolene-20
-
ME831010
-
-
2.185525831
-
Mercaptoethanol
Mercaptoethanol
ME831050
-
C00928
6.024818039
-
Mesuol
-
ME830426
-
-
10.04800334
-
Met/Ala/Gly
Met-Ala-Gly
ME830844
-
-
9.580891622
-
Methionine
Methionine
ME830347
-
C00073_C01733
8.811919149
-
Methionine sulfoxide
Methionine sulfoxide
ME830329
-
C02989
10.18834548
-
Methocarbamol
Methocarbamol
ME831119
-
-
3.44260487
-
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME831072
-
C01223
10.44853117
-
Met/Met/Met/Pro
-
ME830583
-
-
9.554461568
-
Met/Met/Thr
Met-Met-Thr
ME830601
-
-
11.0360001
-
Met/Phe/Asp
Met-Phe-Asp
ME830667
-
-
9.346930796
-
Met/Ser
Met-Ser
ME830845
-
-
7.161122462
-
Met/Thr/Asp
Met-Thr-Asp
ME830759
-
-
9.264660797
-
Met/Thr/Thr/Thr/Thr
-
ME830842
-
-
7.112895025
-
Mimosine
Mimosine
ME830974
-
C04771
8.813479055
-
Montecristin
-
ME831116
-
-
2.179463323
-
Muramic acid
Muramic acid
ME831107
-
C06470
11.06201731
-
mycaminose
-
ME831094
-
-
9.301126561
-
Myxochelin A
-
ME830830
-
C12220
6.014486618
-
N-(1-Deoxy-1-fructosyl)leucine
-
ME831080
-
-
7.644969129
-
N-(1-Deoxy-1-fructosyl)proline
-
ME831002
-
-
9.471321665
-
N-(3-oxooctanoyl)-L-homoserine
-
ME831038
-
-
10.00905486
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME830343
-
C05936
6.022884729
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME830327
-
C02727
9.540831969
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME830320
-
C03955
8.998002523
-
N(6)-Methyllysine
N(6)-Methyllysine
ME830313
-
C02728
15.5788659
-
"N6,N6,N6-Trimethyl-L-lysine"
N-6-Trimethyllysine
ME830365
-
C03793
15.13815511
-
N-a-Acetyl-L-arginine
N-Acetylarginine
ME831027
-
-
10.98966675
-
"N-Acetyl-2,3-dihydro-1H-pyrrole"
-
ME831047
-
-
9.637742996
-
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME831087
-
C15480
9.153141581
-
N-Acetylhistidine
N-Acetylhistidine
ME831103
-
C02997
8.029897098
-
N-Acetylisatin
-
ME830317
-
C02172
6.027881919
-
N-acetyl-L-2-aminoadipate(2-)
N-Acetyl-2-aminoadipic acid
ME830324
-
C12986
11.48505309
-
N-Acetyllactosamine
N-Acetyllactosamine
ME831124
-
C00611
10.18573766
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME830384
-
C03136_C00645_C02711
10.18719081
-
N-acetyl-O-acetylneuraminate
-
ME831104
-
C03708_C04017
11.3537708
-
N-Acetylputrescine
N-Acetylputrescine
ME830360
-
C02714
14.14217843
-
Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine
-
ME831006
-
-
9.979337463
-
Nalpha-[-3-methylhex-2-enoyl]-L-glutamine
-
ME831070
-
-
2.1753757
-
Nalpha-Methylhistidine
N-Methylhistidine
ME830971
-
C03298
9.864940694
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME831074
-
C04301
6.449871551
-
N-Desalkyl flurazepam
-
ME830970
-
-
15.97160578
-
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME831082
-
C03142
5.98361045
-
N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoet...
-
ME830948
-
-
4.781565901
-
N-(docosanoyl)-pentadecasphingadienine-1-phosphoet...
-
ME830946
-
-
2.914059404
-
Nebrosteroid M
Nebrosteroid M
ME830457
-
-
2.285855014
-
N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoeth...
-
ME830945
-
-
3.089344179
-
"Ne,Ne dimethyllysine"
N(6),N(6)-Dimethyl-lysine
ME830995
-
C05545 _C05545
14.96903335
-
Neotussilagine
Tussilagine
ME831035
-
C10411
7.830804846
-
N-(hexacosenoyl)-sphinganine-1-phosphocholine
-
ME830442
-
-
4.472055783
-
N-Hexadecanoylpyrrolidine
Ethyl 2-pyrrolecarboxylate
ME831041
-
-
7.000699158
-
N-hydroxy-L-dihomomethionine
-
ME831100
-
-
7.844024997
-
Niacinamide
Niacinamide
ME830530
-
C00153
6.031270154
-
Nicotinamide hypoxanthine dinucleotide
Nicotinamide purin-6-ol-dinucleotide
ME831149
-
C04423
10.74195333
-
Nicotinic acid
Nicotinic acid
ME830525
-
C00253
6.333904817
-
N-Methylalanine
N-Methylalanine
ME831126
-
C02721
7.973763869
-
N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoet...
-
ME830947
-
-
3.693184153
-
nva-FMDP
-
ME830990
-
-
7.431299133
-
O-(17-carboxyheptadecanoyl)carnitine
-
ME830956
-
-
19.34464586
-
Octylamine
Octylamine
ME831157
-
C01740
7.586772198
-
Oleoylcarnitine
CAR 18:1
ME831102
-
-
3.15985583
-
O-methylandrocymbine
-
ME830372
-
C16709
7.430456499
-
O-Phosphoethanolamine
Phosphoethanolamine
ME830337
-
C00346
12.01804077
-
Ophthalmic acid
Ophthalmic acid
ME831091
-
-
10.18722005
-
O-Succinylhomoserine
o-Succinylhomoserine
ME830310
-
C01118_C05701
10.77084335
-
Otonecine
Otonecine
ME831101
-
C10356
8.914760378
-
Oxidized glutathione
Oxidized glutathione
ME830334
-
C00127
12.86191503
-
Palmitoylcarnitine
CAR 16:0
ME830438
-
C02990
3.196606052
-
Pantothenic acid
Pantothenic acid
ME830524
-
C00864
6.948074606
-
PA-PI
-
ME831130
-
-
7.567531268
-
PC(13:0)
PC 13:0
ME830445
-
-
3.276705081
-
PC(14:1)
PC 14:1
ME830453
-
-
3.34578832
-
PC(14:2)
PC 14:2*
ME830423
-
-
5.989494146
-
PC(15:1)
PC 15:1
ME830433
-
-
5.813200785
-
PC(29:1)
PC 29:1
ME830470
-
C00157
3.260999254
-
PC(30:0)
PC 30:0
ME830398
-
C00157
3.364424226
-
PC(31:2)
PC 31:2
ME830483
-
-
4.994570096
-
PC(32:0)
PC 32:0
ME830403
-
C00157
5.852709408
-
PC(32:1)
PC 32:1
ME830408
-
C00157
2.681802082
-
PC(32:2)
PC 32:2
ME830486
-
C00157
3.552374153
-
PC(32:3)
PC 32:3
ME830389
-
C00157
3.696834157
-
PC(33:1)
PC 33:1
ME830402
-
C00157
4.257174616
-
PC(33:3)
PC 33:3
ME830492
-
C00157
3.910226682
-
PC(33:4)
PC 33:4
ME830473
-
C00157
4.519085494
-
PC(33:5)
PC 33:5
ME830456
-
-
4.143585598
-
PC(34:1)
PC 34:1
ME830409
-
C13875_C00157
4.626434739
-
PC(34:2)
PC 34:2
ME830411
-
C00157
3.514896382
-
PC(35:1)
PC 35:1
ME830487
-
C00157
5.515832608
-
PC(35:2)
PC 35:2
ME830446
-
-
5.871021703
-
PC(35:4)
PC 35:4
ME830392
-
C00157
4.645900693
-
PC(35:5)
PC 35:5
ME830495
-
C00157
3.533450745
-
PC(36:1)
PC 36:1
ME830413
-
C00157
2.909677071
-
PC(36:2)
PC 36:2
ME830412
-
C00157
3.539436948
-
PC(36:4)
PC 36:4
ME830406
-
C00157
2.876235756
-
PC(36:5)
PC 36:5
ME830399
-
C00157
3.370160874
-
PC(38:3)
PC 38:3
ME830400
-
C00157
3.603057934
-
PC(38:4)
PC 38:4
ME830405
-
C00157
3.531627544
-
PC(38:5)
PC 38:5
ME830394
-
C00157
5.223207203
-
PC(38:6)
PC 38:6
ME830388
-
C00157
5.473256658
-
PC(40:5)
PC 40:5
ME830401
-
C00157
3.543104519
-
PC(40:6)
PC 40:6
ME830396
-
C00157
3.359606055
-
PC(40:7)
PC 40:7
ME830390
-
C00157
2.698072484
-
PC(O-16:0)
PC O-16:0
ME830459
-
C13903
3.315447502
-
PC(P-32:0)
PC P-32:0
ME831118
-
-
2.706342506
-
PC(P-34:1)
PC P-34:1
ME831158
-
-
2.610126805
-
PC(P-36:1)
PC P-36:1
ME831136
-
-
2.926676078
-
PC(P-36:2)
PC P-36:2
ME831132
-
-
2.564579361
-
PE(19:0)
PE 19:0
ME830437
-
-
5.915002124
-
PE(32:1)
PE 32:1
ME830449
-
C00350
4.628132566
-
PE(33:0)
PE 33:0
ME830391
-
C00350
4.449330025
-
PE(33:1)
PE 33:1
ME830472
-
C00350
3.365030312
-
PE(34:0)
PE 34:0
ME830397
-
C00350
3.390712318
-
PE(34:1)
PE 34:1
ME830407
-
C13877_C00350
3.352491686
-
PE(34:2)
PE 34:2
ME830504
-
C00350
2.947593021
-
PE(35:0)
PE 35:0
ME830410
-
C00350
2.743948587
-
PE(35:1)
PE 35:1
ME830503
-
C00350
4.458331907
-
PE(36:1)
PE 36:1
ME830494
-
C00350
4.979231881
-
PE(36:2)
PE 36:2
ME830404
-
C00350
3.321220822
-
PE(36:4)
PE 36:4
ME830499
-
C00350
3.557947828
-
PE(37:2)
PE 37:2
ME830511
-
C00350
4.444564443
-
PE(37:3)
PE 37:3
ME830496
-
-
4.182388088
-
PE(38:1)
PE 38:1
ME830508
-
C00350
2.712945822
-
PE(38:2)
PE 38:2
ME830500
-
C00350
3.543961916
-
PE(38:4)
PE 38:4
ME830395
-
C00350
4.012729174
-
PE(38:5)
PE 38:5
ME830466
-
C00350
4.245960125
-
PE(39:1)
PE 39:1
ME830509
-
C00350
5.093956547
-
PE(39:4)
PE 39:4
ME830507
-
-
3.422449978
-
PE(41:1)
PE 41:1
ME830480
-
-
3.131158691
-
PE(41:2)
PE 41:2
ME830467
-
-
2.720252184
-
PE(41:4)
PE 41:4
ME830501
-
-
4.095543634
-
PE(41:5)
PE 41:5
ME830498
-
-
4.180984128
-
PE(41:6)
PE 41:6
ME830462
-
-
4.396369197
-
PE(42:5)
PE 42:5
ME830450
-
C00350
3.025520859
-
penem CGP31608
-
ME831020
-
-
6.590204976
-
pentaethylene glycol
Pentaethylene glycol
ME831165
-
-
3.449552091
-
pentetate
-
ME831030
-
-
11.00482005
-
PE(O-38:5)
PE O-38:5
ME830490
-
C00350
3.491375368
-
PE(P-20:0)
PE P-20:0
ME830443
-
-
3.209337502
-
PE(P-36:1)
PE P-36:1
ME830491
-
C00350
3.614783325
-
PE(P-38:4)
PE P-38:4
ME830489
-
C00350
2.770051475
-
PE(P-40:4)
PE P-40:4
ME830454
-
C00350
2.679535509
-
PE(P-40:5)
PE P-40:5
ME830460
-
C00350
3.637519175
-
Phe/Ala
Phe-Ala
ME830837
-
-
6.016477712
-
Phe/Asn
Phe-Asn
ME830869
-
-
6.127259064
-
Phe/Gly
Phe-Gly
ME830783
-
-
6.028045803
-
Phe/Gly/Arg/Arg/Trp
-
ME830555
-
-
6.120924338
-
Phe/Gly/His
Phe-Gly-His
ME830630
-
-
6.472718037
-
Phe/Gly/His/Lys/Arg
-
ME830893
-
-
8.64569163
-
Phe/Lys/Arg/Thr/Tyr
-
ME830883
-
-
14.1095283
-
Phenylalanine
Phenylalanine
ME830351
-
C00079_C02265
7.724357584
-
Phenylethylmalonamide
Phenylethylmalonamide
ME830997
-
C07499
6.411870172
-
phenyl sulfoxide
-
ME830985
-
-
13.00439911
-
Phe/Pro/His
Phe-Pro-His
ME830708
-
-
6.291373571
-
Phe/Thr
Phe-Thr
ME830808
-
-
6.02550763
-
Phe/Thr/Pro
Phe-Thr-Pro
ME830565
-
-
6.022234417
-
Phe/Thr/Thr/Tyr
-
ME830728
-
-
7.308863373
-
PHODiA-PG
-
ME831007
-
-
7.964202499
-
Phosphinothricin
Phosphinothricin
ME830968
-
C05042_C04650
12.00577825
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME830355
-
C03167
11.2390716
-
Pipecolic acid
Pipecolic acid
ME830358
-
C00408
9.396297921
-
Pipericine
NA-Pipericine
ME831009
-
-
6.409192581
-
Piperidine
Piperidine
ME831093
-
C01746
6.034391636
-
piperidine-3-carboxylate
-
ME831150
-
-
15.15471666
-
platensimycin
-
ME831043
-
-
11.77105087
-
Polyoxyethylene dioleate
Polyoxyethylene dioleate
ME830998
-
-
2.177964006
-
POV-PG
-
ME831073
-
-
5.930969213
-
Pro/Ala/Asp
Pro-Ala-Asp
ME830564
-
#N/A
11.22245708
-
Pro/Ala/Glu
Pro-Ala-Glu
ME830568
-
#N/A
11.04969207
-
Pro/Ala/Glu/Phe
-
ME830720
-
#N/A
8.279566701
-
Pro/Ala/Pro
Pro-Ala-Pro
ME830763
-
#N/A
9.011997579
-
Pro/Asn
Pro-Asn
ME830917
-
#N/A
10.2812208
-
Pro/Asn/Ala
Pro-Asn-Ala
ME830556
-
#N/A
9.677959846
-
Pro/Asp
Pro-Asp
ME830939
-
#N/A
11.78207504
-
Procaterol
-
ME830975
-
-
1.946072218
-
Pro/Glu
Pro-Glu
ME830924
-
#N/A
11.53165554
-
Pro/Glu/Asn
Pro-Glu-Asn
ME830580
-
#N/A
11.77368173
-
Pro/Glu/Asn/Phe
-
ME830588
-
#N/A
9.554847209
-
Pro/Gly/Ala
Pro-Gly-Ala
ME830873
-
#N/A
9.778829193
-
Pro/Gly/Gly/Pro
-
ME830765
-
-
8.829440765
-
Pro/His
Pro-His
ME830744
-
-
9.510973734
-
Proline
Proline
ME830368
-
C00148_C00763
9.711047999
-
Pro/Pro/Pro
Pro-Pro-Pro
ME830732
-
-
6.966234182
-
Pro/Pro/Ser
Pro-Pro-Ser
ME830696
-
-
9.618560791
-
Pro/Pro/Val/Gln
-
ME830777
-
#N/A
7.981867549
-
Pro/Ser
Pro-Ser
ME830856
-
-
10.04288898
-
Pro/Thr
Pro-Thr
ME830933
-
-
9.074361608
-
Pro/Trp
Pro-Trp
ME830817
-
-
7.029728317
-
Pro/Trp/Thr
Pro-Trp-Thr
ME830646
-
#N/A
6.720509186
-
Pro/Tyr
Pro-Tyr
ME830768
-
-
6.31999516
-
Pro/Val/Asn
Pro-Val-Asn
ME830655
-
#N/A
7.824640884
-
Pro/Val/Asn/Phe
Pro-Val-Asn-Phe
ME830914
-
#N/A
6.032172496
-
Pro/Val/Gln/Ala
-
ME830912
-
#N/A
7.219372533
-
PS(36:0)
PS 36:0
ME830440
-
-
3.383736504
-
PS(36:1)
PS 36:1
ME830476
-
C02737
3.500879691
-
PS(38:4)
PS 38:4
ME830485
-
C02737
3.511202275
-
Pseudoconhydrine
-
ME831044
-
C10168
15.03041823
-
Pyrene
Pyrene
ME831133
-
C14335
2.764782609
-
Pyridoxal
Pyridoxal
ME830526
-
C00250
6.429313236
-
Pyridoxine
Pyridoxine
ME830527
-
C00314
6.377220111
-
Pyridoxine 5'-phosphate
Pyridoxine 5'-phosphate
ME830520
-
C00627
10.68421494
-
Quinaldic acid
Quinaldic acid
ME831137
-
C06325
5.987407684
-
quinocarcin
-
ME830957
-
-
15.97081752
-
quinoline-4-carboxylate
-
ME831095
-
C06414
4.441834901
-
Riboflavin
Riboflavin
ME830522
-
C00255
6.497351685
-
Roxatidine acetate
-
ME831011
-
-
6.234304894
-
Sarcodon scabrosus Depsipeptide
-
ME830983
-
-
11.59499919
-
Se-Adenosylselenohomocysteine
-
ME830325
-
C05692
11.20211901
-
Senecionine
Senecionine
ME830376
-
C06176
5.971397909
-
Ser/His
Ser-His
ME830684
-
-
9.767301687
-
Serine
Serine
ME830333
-
C00740_C00065_C00716
12.01812576
-
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-...
-
ME831096
-
-
14.08431388
-
Slaframine
Slaframine
ME830379
-
C06185
7.358012517
-
SM(d32:1)
SM 32:1;O2
ME830482
-
-
3.016411591
-
SM(d36:1)
SM 36:1;O2
ME830469
-
C00550
4.629377261
-
SM(d36:2)
SM 36:2;O2
ME830471
-
C00550
2.97231955
-
SM(d40:1)
SM 40:1;O2
ME830497
-
C00550
3.818947104
-
SM(d40:2)
SM 40:2;O2
ME830484
-
-
3.290125352
-
SM(d41:1)
SM 41:1;O2
ME830465
-
-
3.980276843
-
SM(d42:1)
SM 42:1;O2
ME830506
-
-
4.309542391
-
SM(d42:2)
SM 42:2;O2
ME830510
-
C00550
3.793292342
-
SM(d44:2)
SM 44:2;O2
ME830463
-
C00550
4.263184777
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME830425
-
C01233
11.65570333
-
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME830421
-
C01120
6.048835805
-
Stearoylcarnitine
CAR 18:0
ME831121
-
-
3.169128342
-
Swainsonine
-
ME831067
-
C10173
8.788064745
-
Tenuazonic acid
Tenuazonic acid
ME831049
-
C08511
3.257292366
-
Termitomycesphin A
Termitomycesphin A
ME830493
-
-
7.668271736
-
Tetradecene
Tetradecene
ME830461
-
-
6.034896512
-
Tetraethylammonium
-
ME831060
-
C07512
11.78518884
-
Tetraethylene glycol
Tetraethylene glycol
ME831159
-
-
5.5930535
-
TG(50:3)
TG 50:3
ME830434
-
C00422
4.80468698
-
TG(54:5)
TG 54:5
ME830464
-
C00422
4.951743041
-
TG(54:6)
TG 54:6
ME830452
-
C00422
4.724665943
-
TG(56:8)
TG 56:8
ME830427
-
C00422
4.746197841
-
Thiamine monophosphate
Thiamine monophosphate
ME830523
-
C01081
10.47836161
-
Thiamine pyrophosphate
Thiamine diphosphate
ME830385
-
C00068
10.95291671
-
thiazolidine-4-carboxylate
-
ME831019
-
-
6.929827423
-
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME830981
-
C03901
6.859478277
-
Thr/Ala
Thr-Ala
ME830729
-
-
10.60692825
-
Thr/Ala/Ser
Thr-Ala-Ser
ME830894
-
-
10.94884165
-
Thr/Cys
Thr-Cys
ME830854
-
-
9.483654124
-
"threo-2-Amino-3,4-dihydroxybutanoic acid"
-
ME830514
-
C06056
10.48373744
-
Threonine
Threonine
ME830353
-
C00188_C00820
11.06334504
-
Thr/Gln
Thr-Gln
ME830672
-
-
9.538781586
-
Thr/Gly
Thr-Gly
ME830664
-
-
9.797045898
-
Thr/His
Thr-His
ME830658
-
-
9.138634135
-
Thr/Lys
Thr-Lys
ME830648
-
#N/A
11.65886083
-
Thr/Pro/Glu/Glu
-
ME830577
-
#N/A
11.96241372
-
Thr/Pro/Pro
Thr-Pro-Pro
ME830694
-
-
8.97659907
-
Thr/Pro/Thr
Thr-Pro-Thr
ME830678
-
#N/A
8.701470744
-
Thr/Thr/Thr
Thr-Thr-Thr
ME830760
-
-
10.78232834
-
Thr/Thr/Thr/Thr
-
ME830785
-
-
10.11101171
-
Thr/Trp/Cys
Thr-Trp-Cys
ME830850
-
-
11.39933589
-
Thr/Val
Thr-Val
ME830819
-
-
10.63906743
-
tridecadienoic acid
Tridecadienoic acid
ME830502
-
-
3.159884697
-
Triethanolamine
Triethanolamine
ME831018
-
C06771
7.078602812
-
triethylene glycol
-
ME831155
-
-
4.228002803
-
Tritoqualine
-
ME830988
-
-
10.1963267
-
Trp/Cys/Gly
Trp-Cys-Gly
ME830756
-
-
6.71832667
-
Trp/Gln
Trp-Gln
ME830755
-
-
7.774359156
-
Trp/Gly
Trp-Gly
ME830608
-
-
6.834583306
-
Trp/Gly/Ser
Trp-Gly-Ser
ME830662
-
-
6.62151914
-
Trp/Val
Trp-Val
ME830659
-
-
6.589578802
-
Tryptophan
Tryptophan
ME830339
-
C00525_C00806_C00078
8.976477356
-
Tyr/His
Tyr-His
ME830657
-
-
7.924462741
-
Tyr/Tyr
Tyr-Tyr
ME830884
-
-
6.019833247
-
Uridine 5'-diphosphate
UDP
ME830540
-
C00015
12.40746668
-
Val/Ala
Val-Ala
ME830788
-
-
11.02255898
-
Val/Arg
Val-Arg
ME830773
-
-
10.06766068
-
Val/Asp
Val-Asp
ME830901
-
-
10.66716042
-
Val/Asp/Asp
Val-Asp-Asp
ME830566
-
-
12.24581197
-
Val/Glu
Val-Glu
ME830877
-
#N/A
10.35770412
-
Val/Gly
Val-Gly
ME830714
-
-
7.456029828
-
Val/Gly/Ala
Val-Gly-Ala
ME830839
-
#N/A
10.92071004
-
Val/Gly/His
Val-Gly-His
ME830757
-
-
6.082286227
-
Val/Gly/Pro
Val-Gly-Pro
ME830661
-
-
7.067443654
-
Val/His
Val-His
ME830862
-
-
7.614856695
-
Valine
Valine
ME830361
-
C00183_C16436_C06417
8.589816644
-
Val/Leu
Val-Leu
ME830891
-
#N/A
5.996186108
-
Val/Leu/Gly/Ala
-
ME830611
-
#N/A
8.670125695
-
Val/Lys
Val-Lys
ME830801
-
#N/A
10.16050247
-
Val/Pro
Val-Pro
ME830902
-
-
6.174061118
-
Val/Pro/His
Val-Pro-His
ME830571
-
-
7.291837843
-
Val/Pro/Pro
Val-Pro-Pro
ME830644
-
-
7.483302485
-
Val/Ser/Ser
Val-Ser-Ser
ME830905
-
-
10.69403249
-
Val/Val
Val-Val
ME830824
-
-
6.018992996
-
Val/Val/Tyr/Pro
-
ME830852
-
#N/A
10.40167711
-
VIM-II(d42:1)
-
ME830474
-
-
14.04362361
-
Vindoline
-
ME830371
-
C01626
7.652843131
-
"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole"
-
ME830978
-
-
15.97969585
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
"11,12,13-TriHOME"
11,12,13-TriHOME
ME831272
-
-
3.01261161
-
"11,14,17-Eicosatrienoic acid"
Dihomo-gamma-linolenic acid
ME831402
-
C16522
2.621082634
-
1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-gl...
-
ME831770
-
-
2.558691673
-
"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[...
-
ME831799
-
-
6.023533969
-
"1,2-dibutyrin"
-
ME831709
-
-
3.440712494
-
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine
-
ME831696
-
-
3.101422513
-
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoseri...
-
ME831801
-
-
3.15925415
-
13-cis-Retinal
-
ME831437
-
C00376_C16681_C02110
2.505654984
-
14'-apo-beta-Carotenal
14'-apo-beta-Carotenal
ME831797
-
C06734
2.494008331
-
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
ME831759
-
C10482
2.818297916
-
1-Arachidonoylglycerophosphoinositol
LPI 20:4
ME831387
-
-
2.975041644
-
1-Deoxy-D-altro-heptulose 7-phosphate
1-Deoxy-D-altro-heptulose 7-phosphate
ME831794
-
C04359
11.32567327
-
1-Oleoylglycerophosphoserine
LPS 18:1/0:0
ME831419
-
-
2.946779175
-
1-Oleylglycerol
-
ME831729
-
C13860
2.730338409
-
1-Palmitoylglycerophosphoinositol
LPI 16:0
ME831385
-
-
5.959959183
-
"(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyr...
-
ME831810
-
-
11.39942835
-
1-(sn-Glycero-3-phospho)-myo-inositol
sn-Glycero-3-phosphoinositol
ME831808
-
C01225
12.17429219
-
1-Stearoylglycerophosphoglycerol
LPG 18:0
ME831415
-
-
2.673545837
-
1-Stearoylglycerophosphoinositol
LPI 18:0/0:0
ME831411
-
-
5.937915853
-
1-Stearoylglycerophosphoserine
LPS 18:0
ME831376
-
-
2.934572525
-
1-thio-beta-D-glucose
-
ME831867
-
-
7.038103358
-
"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-e...
-
ME831692
-
-
12.99391228
-
"2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]ami...
-
ME831868
-
-
6.01906734
-
"2,3,5-Trihydroxytoluene"
2,3,5-Trihydroxytoluene
ME831776
-
C03338
9.523800023
-
"2,3,6-Trihydroxypyridine"
2,3,6-Trihydroxypyridine
ME831432
-
C03458
11.39141447
-
"2,3-Diaminosalicylic acid"
2,3-Diaminosalicylic acid
ME831736
-
-
10.69337073
-
"2,3-Dihydroxycyclopentaneundecanoic acid"
-
ME831765
-
C14987
6.00890486
-
"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]...
-
ME831685
-
-
11.29783469
-
"2,5,6-Trihydroxy-5,6-dihydroquinoline"
-
ME831756
-
C06339
12.96294594
-
"2,5-Dimethyl-1H-pyrrole"
-
ME831805
-
-
2.56685289
-
"2,5-Dioxopentanoate"
-
ME831255
-
C00433
11.15131238
-
"2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hy...
-
ME831688
-
-
11.6023531
-
"2,6-Dihydroxy-N-methylmyosmine"
-
ME831427
-
C16151
6.314167447
-
"2,7-Anhydro-alpha-N-acetylneuraminic acid"
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME831872
-
C04521
9.719337514
-
2-Aceto-2-hydroxybutanoic acid
-
ME831190
-
C00659_C06006
11.32879452
-
2-Acetolactate
2-Acetolactate
ME831250
-
C06010_C00900
11.36122021
-
"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-n...
-
ME831343
-
-
2.510219167
-
2-amino-2-deoxy-isochorismate
-
ME831831
-
-
10.56968117
-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...
-
ME831829
-
-
3.233059035
-
"2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate"
-
ME831769
-
C16850
9.587293586
-
2-Amino-3-carboxymuconic acid semialdehyde
2-Amino-3-carboxymuconic acid semialdehyde
ME831172
-
C04409
11.02449422
-
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimi...
-
ME831732
-
-
3.45829169
-
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimid...
-
ME831656
-
-
11.77847873
-
"2-amino-4-[(2-{[1-carboxy-2-(6,7-dimethoxy-2H-1,3...
-
ME831673
-
-
11.58177105
-
2-Amino-4-methylenepentanedioic acid
-
ME831226
-
C00651
10.85395626
-
2-amino-4-methylphenol
-
ME831743
-
-
10.29428677
-
2-Aminomuconic acid
2-Aminomuconic acid
ME831179
-
C02220
11.11457291
-
2-chloro-2-iodoacetamide
-
ME831403
-
-
19.10928463
-
"2-C-methyl-D-erythritol-2,4-cyclodiphosphate"
-
ME831806
-
-
12.07767832
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME831425
-
C11434
11.08706736
-
2-Decarboxyphyllocactin
-
ME831726
-
-
10.99116837
-
2-Dehydro-3-deoxy-D-glucarate
-
ME831245
-
C03921
17.50891664
-
"2-Deoxy-2,3-dehydro-N-acetylneuraminic acid"
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
ME831865
-
C04580
10.2436557
-
2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate
-
ME831442
-
C11038
11.40917804
-
2-Ethylhexanoic acid
alpha-Ethylcaproic acid
ME831393
-
-
3.19026876
-
"2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]am...
-
ME831781
-
-
3.35559793
-
"(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g...
-
ME831666
-
-
11.7938774
-
"2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methyli...
-
ME831854
-
-
7.939393086
-
2-Hydroxydecanoate
2-Hydroxycapric acid
ME831317
-
-
3.135055584
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME831184
-
C05123
9.013221486
-
(2-hydroxyethoxy)sulfonic acid
-
ME831851
-
-
9.660702727
-
2-Hydroxyhexadecanoic acid
2-Hydroxypalmitic acid
ME831362
-
-
2.811141692
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME831429
-
C04690
11.30990969
-
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME831311
-
C13790
2.83477015
-
2-hydroxynonanoic acid
-
ME831346
-
-
3.415355566
-
2'-hydroxypyridoxol
-
ME831790
-
-
10.09774102
-
2-Hydroxystearic acid
2-Hydroxystearic acid
ME831278
-
C03042_C03045
2.76878127
-
2-hydroxytridecanoate
-
ME831423
-
-
2.875929175
-
2-Hydroxyundecanoate
-
ME831371
-
-
2.966135428
-
2-Keto-glutaramic acid
2-Keto-glutaramic acid
ME831199
-
C00940
8.687682639
-
2-Methylhexanoic acid
-
ME831379
-
-
3.344090992
-
2-Octenedioic acid
2-Octenedioic acid
ME831866
-
-
8.796972911
-
2-oxobut-3-enanoate
-
ME831775
-
-
5.989760399
-
2-oxopropane sulfonate
-
ME831730
-
-
7.649820858
-
"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]...
-
ME831750
-
-
8.702889252
-
"2-trans,6-trans-Farnesal"
(2-trans,6-trans)-Farnesal
ME831299
-
C03461
2.914790948
-
"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetr...
-
ME831676
-
-
3.374545839
-
"3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone...
-
ME831653
-
-
11.50035675
-
"3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl...
-
ME831659
-
-
9.437632497
-
"3,3'-Thiobispropanoic acid"
3,3'-Thiobispropanoic acid
ME831796
-
-
6.351335017
-
"3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-o...
-
ME831748
-
-
11.0911909
-
"3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy...
-
ME831782
-
-
7.938356705
-
"3,4,5-trihydroxy-6-{4-[-3-oxo-3-[(3,4,5,6-tetrahy...
-
ME831778
-
-
11.38726588
-
"3,4-Dihydroxybenzylamine"
3,4-Dihydroxybenzylamine
ME831879
-
-
6.193051423
-
"3,5-Di-O-galloyl-1,4-galactarolactone"
-
ME831745
-
-
11.49973918
-
"{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7...
-
ME831721
-
-
12.0012781
-
"3,7-Dimethyl-8,11-dioxo-dodecatrienal"
-
ME831332
-
-
2.734712474
-
"3,7-Dimethyl-decadien-1,10-dioic acid"
-
ME831316
-
-
3.252683343
-
"3a,7a-Dihydroxycholanoic acid"
-
ME831306
-
C02528_C07880_C17664
3.251936107
-
"3a,7b,12a-Trihydroxyoxocholanyl-Glycine"
-
ME831870
-
C01921
6.019127426
-
"3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate"
-
ME831716
-
C01292
6.009255803
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME831650
-
-
11.79523639
-
"3-carboxy-2,3-dihydroxypropanoate"
-
ME831228
-
C00898_C00552
15.79229308
-
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME831350
-
-
3.424731943
-
3-carboxy-6-(methylsulfanyl)-2-oxohexanoate
-
ME831708
-
-
6.712104238
-
3-Dehydro-L-threonate
-
ME831260
-
C03064
14.05967085
-
3-Ethylmalate
-
ME831246
-
C01989
10.18959919
-
"3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone"
-
ME831813
-
-
8.036156453
-
"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate"
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME831431
-
C04604
11.24370342
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME831187
-
C00632
6.01262633
-
3-hydroxypalmitic acid methyl ester
Cyclopamine
ME831681
-
C11849
2.72740487
-
3-Isopropenyl-6-oxoheptanoate
-
ME831213
-
C11419_C11405
3.436914582
-
3-ketothreonate
-
ME831252
-
C03064
15.51200837
-
3-Mercaptolactic acid
-
ME831182
-
C05823
11.09605344
-
3-Methylbutyl glucosinolate
-
ME831654
-
-
11.73967997
-
3-Oxododecanoic acid
3-Oxododecanoic acid
ME831322
-
C02367
2.988400703
-
3-Oxotetradecanoic acid
3-Oxotetradecanoic acid
ME831314
-
-
2.852020815
-
3-Phosphoglyceric acid
3-Phosphoglyceric acid
ME831222
-
C00197_C00597
13.01269592
-
3-Propylmalate
3-Propylmalate
ME831236
-
C02123
11.30790486
-
3-Succinoylpyridine
3-Succinoylpyridine
ME831738
-
C19569
6.762646527
-
"4,5-Dihydroorotic acid"
4,5-Dihydroorotic acid
ME831446
-
C00337
9.077765401
-
"4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxypheny...
-
ME831722
-
-
11.65235093
-
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME831438
-
C11355
9.533253015
-
4-Coumaryl alcohol
4-Coumaryl alcohol
ME831210
-
C02646
3.438170136
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME831737
-
C14236
5.786458376
-
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME831433
-
C00156
5.996833971
-
4-Hydroxyhexan-3-one
4-Hydroxyhexan-3-one
ME831863
-
C02948
3.44007224
-
4-Hydroxyphenylacetaldehyde-oxime
-
ME831181
-
C04350_C04353
6.091659694
-
4-hydroxy-tridecanoic acid
-
ME831384
-
-
3.932443757
-
4-Methoxyglucobrassicin
4-Methoxyglucobrassicin
ME831663
-
C08423
11.62804578
-
4-methylumbelliferyl-beta-D-cellobioside
-
ME831677
-
-
7.781410387
-
4-O-beta-D-glucosyl-indol-3-yl formamide
-
ME831804
-
-
9.724678243
-
4-Octylphenol
4-Octylphenol
ME831792
-
C14132
5.738477834
-
4'-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME831441
-
C03492
11.45350395
-
4-Pyridoxic acid
4-Pyridoxic acid
ME831430
-
C00847
6.653625001
-
4-toluenecarboxylate-adenylate
-
ME831670
-
-
13.92330332
-
"5-(2'-Formylethyl)-4,6-dihydroxypicolinate"
-
ME831186
-
C05654
6.136293687
-
5-Acetamidovalerate
5-Acetamidovaleric acid
ME831183
-
C03087
6.014597172
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME831195
-
C00430
10.93691326
-
5beta-Cyprinolsulfate
5beta-Cyprinol sulfate
ME831305
-
C05468
5.602846527
-
5-Dehydro-4-deoxy-D-glucarate
-
ME831247
-
C00679
16.08068958
-
5'-dehydrouridine
-
ME831649
-
-
11.76449033
-
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
ME831825
-
-
3.407004155
-
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-...
-
ME831855
-
-
2.849279192
-
5-Methyldeoxycytidine diphosphate
-
ME831793
-
C04187
10.65881261
-
5-methyl-tetradecanedioic acid
-
ME831303
-
-
3.38655902
-
"5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone"
-
ME831823
-
C01295
10.99870207
-
5-Thymidylic acid
dTMP
ME831459
-
C00364
9.995194541
-
(+/-)-6-Acetonyldihydrochelerythrine
-
ME831672
-
C12200
2.894334238
-
6-formylpterin
-
ME831852
-
-
7.357145004
-
6''-O-Malonylwistin
-
ME831288
-
-
6.173410589
-
6-Phosphogluconic acid
6-Phosphogluconic acid
ME831218
-
C00345
13.83512995
-
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
-
ME831807
-
C19562
11.46009447
-
"8,13-Abietadien-18-oic acid"
-
ME831398
-
C11889_C06087_C12077
2.678661601
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME831440
-
C01092
6.029295116
-
"8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(...
-
ME831763
-
-
11.0927242
-
9-Oxo-nonanoic acid
9-Oxo-nonanoic acid
ME831400
-
C16322
3.4229368
-
"a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic ac...
-
ME831693
-
-
10.37407084
-
Acetoacetic acid
Acetoacetic acid
ME831382
-
C00164
10.75999925
-
Acetohydroxamic Acid
Acetohydroxamic acid
ME831843
-
C06808
11.44266879
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME831683
-
C02659
8.625984001
-
acetylglutathione
-
ME831701
-
-
9.324863025
-
Acetylphosphate
Acetylphosphate
ME831176
-
C00227
11.50142995
-
Adenosine diphosphate ribose
ADP-ribose
ME831453
-
C00301
10.57028478
-
Adlupone
-
ME831694
-
-
2.441842355
-
Adrenic acid
Adrenic acid
ME831358
-
C16527
2.636335511
-
Adrenochrome
Adrenochrome
ME831877
-
-
3.446422227
-
Ala/Ala/Asp/Tyr
-
ME831605
-
-
8.85396993
-
Ala/Ala/Cys
Ala-Ala-Cys
ME831534
-
-
6.296623357
-
Ala/Arg/Arg/Tyr/Tyr
-
ME831585
-
-
3.468532499
-
Ala/Asn/Pro/Arg/Trp
-
ME831618
-
-
6.045037537
-
Ala/Asp/Asp/Asn/Pro
-
ME831571
-
-
9.845988261
-
Ala/Asp/Asp/Pro
-
ME831505
-
-
11.55077317
-
Ala/Asp/Glu/Lys/Thr
-
ME831588
-
-
10.70171417
-
Ala/Asp/Glu/Lys/Tyr
-
ME831469
-
-
6.731112162
-
Ala/Asp/Glu/Met/Gln
-
ME831524
-
-
7.08157753
-
Ala/Asp/Gly
Ala-Asp-Gly
ME831499
-
-
11.87094666
-
Ala/Asp/Gly/Tyr
-
ME831629
-
-
8.968121541
-
Ala/Asp/Met/Arg/Thr
-
ME831626
-
-
8.740213318
-
Ala/Asp/Phe/Ile/Arg
-
ME831615
-
-
12.13078613
-
Ala/Asp/Phe/Lys/Lys
-
ME831563
-
-
3.441101659
-
Ala/Asp/Ser/Ser/Thr
-
ME831596
-
-
7.791137492
-
Ala/Cys/Asp/Asn/Trp
-
ME831593
-
-
7.973478343
-
Ala/Cys/Asp/Asp/Tyr
-
ME831624
-
-
11.1906366
-
Ala/Cys/Asp/Glu
-
ME831515
-
-
9.947313385
-
Ala/Cys/Asp/Glu/Pro
-
ME831581
-
-
11.13752665
-
Ala/Cys/Asp/His/Arg
-
ME831502
-
-
8.665505727
-
Ala/Cys/Asp/Lys/Ser
-
ME831477
-
-
8.286309075
-
Ala/Cys/Asp/Met/Met
-
ME831617
-
-
10.97829341
-
Ala/Cys/Asp/Ser/Trp
-
ME831537
-
-
7.903910828
-
Ala/Cys/Cys/Asn/Tyr
-
ME831558
-
-
10.00902496
-
Ala/Cys/Cys/Asp/His
-
ME831494
-
-
10.68752621
-
Ala/Cys/Cys/Met/Met
-
ME831611
-
-
10.87368922
-
Ala/Cys/Gln/Tyr
-
ME831554
-
-
17.02342499
-
Ala/Cys/Glu/Met/Met
-
ME831463
-
-
10.84666654
-
Ala/Cys/His/Ser/Trp
-
ME831586
-
-
8.867045848
-
Ala/Cys/Thr/Thr/Thr
-
ME831544
-
-
8.521414159
-
Ala/Gln/Tyr/Tyr/Tyr
-
ME831599
-
-
12.14862455
-
Ala/Glu/Ala/Glu
-
ME831528
-
-
11.17840576
-
Ala/Glu/Glu/Gln/Gln
-
ME831606
-
-
10.04119003
-
Ala/Glu/Glu/Tyr
-
ME831517
-
-
7.593555806
-
Ala/Glu/Ile/Thr
-
ME831518
-
-
7.35475697
-
Ala/Glu/Pro
Ala-Glu-Pro
ME831523
-
-
6.788390884
-
Ala/Gly
Ala-Gly
ME831488
-
-
8.893172116
-
Ala/Gly/Tyr
Ala-Gly-Tyr
ME831640
-
-
6.501957474
-
Ala/Ile/Arg/Thr/Tyr
-
ME831472
-
-
6.037596916
-
Ala/Ile/Ile/Gln/Val
-
ME831540
-
-
3.271972478
-
Ala/Ile/Met/Asn/Arg
-
ME831500
-
-
6.518688304
-
Ala/Leu/Asn/Gly
-
ME831483
-
-
7.29045833
-
Ala/Leu/Asp/Gly
-
ME831489
-
-
8.703968328
-
Ala/Leu/Thr/Ser
-
ME831628
-
-
6.614595846
-
Ala/Lys/Asp/Pro
-
ME831473
-
-
10.96909096
-
Ala/Lys/Ser/Ser/Trp
-
ME831471
-
-
6.513615186
-
Ala/Met/Gln/Ser
-
ME831529
-
-
8.034921672
-
Ala/Met/Met/Met
-
ME831569
-
-
7.997746658
-
Ala/Phe/Met/Pro/Arg
-
ME831557
-
-
8.032734039
-
Ala/Ser
Ala-Ser
ME831573
-
-
9.439906769
-
Ala/Ser/Ser/Ser/Thr
-
ME831561
-
-
8.16713834
-
Ala/Thr/Thr/Ala
-
ME831513
-
-
11.35776657
-
Ala/Thr/Val/Ser
-
ME831506
-
-
7.147365036
-
Ala/Val/Asp/Asp
-
ME831633
-
-
9.101029256
-
Ala/Val/Asp/Ser
-
ME831595
-
-
9.322186686
-
Albomaculine
-
ME831840
-
C08515
6.028011767
-
aldehydo-octose 8-phosphate
-
ME831669
-
-
12.52626165
-
"alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilb...
-
ME831783
-
C15066
2.850097516
-
alpha-glutamyl-L-hydroxyproline
-
ME831710
-
-
10.08746736
-
alpha-Irone
alpha-Irone
ME831856
-
C09690_C11350
2.919906256
-
Alpha-Ketooctanoic acid
-
ME831381
-
-
5.997447904
-
Alpha-Linolenic acid
alpha-Linolenic acid
ME831410
-
C06427
2.605334049
-
Amidosulfonic acid
-
ME831841
-
-
18.95826391
-
ancymidol
Ancymidol
ME831826
-
-
3.358098323
-
Anisatin
Anisatin
ME831725
-
C09294
6.351870134
-
Apiole
Apiole
ME831844
-
C10429
2.589954874
-
apo-14'-zeta-carotenal
-
ME831784
-
-
2.499625015
-
a polyisoprenyl-major wall teichoic acid (B. subti...
-
ME831747
-
-
11.60025243
-
Arabinonate
Arabinonic acid
ME831244
-
C05411_C00545_C00878_C01685_C05412_C00502
10.81860343
-
Arachidic acid
Arachidic acid
ME831280
-
C06425
2.603912512
-
Arachidonic acid
Arachidonic acid
ME831283
-
C00219
2.651609717
-
Arecoline
Arecoline
ME831740
-
C10129
3.433120134
-
Arg/Asn/Asp/Cys
-
ME831510
-
-
6.570740276
-
Arg/Ile/Ile/Phe
-
ME831619
-
-
12.14581762
-
Arg/Phe/Phe/His
-
ME831530
-
-
12.25726175
-
Ascorbate
Vitamin C
ME831216
-
C00072
11.99902714
-
Asn/Arg/Thr/Thr/Tyr
-
ME831613
-
-
12.13609428
-
Asn/Asp
Asn-Asp
ME831498
-
-
12.08088089
-
Asn/Asp/Cys/Pro
-
ME831531
-
-
11.04958995
-
Asn/Cys/Ser
Asn-Cys-Ser
ME831639
-
-
10.9367609
-
Asn/Gly
Asn-Gly
ME831577
-
-
11.36674245
-
Asn/Ile/Ile/Ser
-
ME831623
-
-
9.85892746
-
Asn/Leu/Asn/Asp
-
ME831521
-
-
10.04335495
-
Asn/Leu/Gln/Ser
-
ME831516
-
-
8.905170034
-
Asn/Leu/Ser/Tyr
-
ME831465
-
-
6.679697206
-
Asn/Met/Asp/Gln
-
ME831583
-
-
8.466625849
-
Asn/Met/Cys/Gly
-
ME831551
-
-
7.936785889
-
Asn/Met/Pro/Ser
-
ME831604
-
-
7.016745021
-
Asn/Met/Thr/Gln
-
ME831536
-
-
8.04566747
-
Asn/Pro/Pro
Asn-Pro-Pro
ME831584
-
-
7.786614176
-
Asn/Ser
Asn-Ser
ME831570
-
-
10.69636256
-
Asn/Val/Ser/Ser
-
ME831467
-
-
7.498260683
-
Asp/Arg/Ser/Ser/Tyr
-
ME831572
-
-
8.989609985
-
Aspartate-semialdehyde
Aspartate-semialdehyde
ME831194
-
C00441
11.28193686
-
Asp/Asn/Thr/Thr/Thr
-
ME831514
-
-
8.838652496
-
Asp/Asp/Asn/Asn/Asn
-
ME831486
-
-
9.604016673
-
Asp/Asp/Asp/Arg/Thr
-
ME831511
-
-
7.1382208
-
Asp/Asp/Glu/Glu/Pro
-
ME831466
-
-
9.946924291
-
Asp/Asp/Gly/His/Trp
-
ME831484
-
-
7.687935264
-
Asp/Asp/Ile/Trp/Tyr
-
ME831538
-
-
10.92373174
-
Asp/Cys/Gly
Asp-Cys-Gly
ME831555
-
-
11.09203664
-
Asp/Glu/Arg/Thr/Tyr
-
ME831566
-
-
12.19532154
-
Asp/Glu/Glu/Thr
-
ME831634
-
-
10.24682132
-
Asp/Glu/Ile/Gln/Gln
-
ME831485
-
-
10.24862817
-
Asp/Glu/Ile/Lys/Pro
-
ME831610
-
-
6.355840022
-
Asp/Glu/Lys/Lys/Lys
-
ME831541
-
-
12.05871085
-
Asp/Glu/Lys/Thr/Thr
-
ME831547
-
-
6.066932475
-
Asp/Glu/Phe/Phe/Trp
-
ME831637
-
-
10.75030904
-
Asp/Gly
Asp-Gly
ME831545
-
-
12.57494517
-
Asp/Gly/Asn/Asn/Trp
-
ME831509
-
-
9.855615794
-
Asp/Gly/Pro
Asp-Gly-Pro
ME831556
-
-
11.38651123
-
Asp/Gly/Tyr/Tyr/Tyr
-
ME831553
-
-
10.06011998
-
Asp/His/Met/Pro/Arg
-
ME831643
-
-
7.989344966
-
Asp/Ile/Arg/Thr/Tyr
-
ME831501
-
-
6.211996613
-
Asp/Ile/Ile/Met/Trp
-
ME831620
-
-
6.02134491
-
Asp/Ile/Ile/Thr/Thr
-
ME831480
-
-
6.024333269
-
Asp/Leu
Asp-Leu
ME831603
-
-
8.844053294
-
Asp/Leu/Ser
Asp-Leu-Ser
ME831590
-
-
9.018739217
-
Asp/Lys/Met/Gln/Thr
-
ME831512
-
-
8.670747528
-
Asp/Met/Asp/Gly
-
ME831497
-
-
11.93979919
-
Asp/Met/Phe/Phe
-
ME831630
-
-
7.929083405
-
Asp/Phe/Cys/Gly
-
ME831546
-
-
7.2798467
-
Asp/Phe/Phe/Met/Tyr
-
ME831594
-
-
6.025373768
-
Asp/Pro/Ser
Asp-Pro-Ser
ME831622
-
-
9.922916616
-
Asp/Pro/Ser/Tyr
-
ME831607
-
-
7.643527095
-
Asp/Ser
Asp-Ser
ME831496
-
-
12.12751246
-
Asp/Thr/Ser/Ser
-
ME831560
-
-
11.25505747
-
Asp/Tyr
Asp-Tyr
ME831522
-
-
11.07763335
-
Azelaic acid
Azelaic acid
ME831846
-
C08261
8.828156153
-
Behenic acid
Behenic acid
ME831277
-
C08281
2.572888184
-
Bendiocarb
Bendiocarb
ME831720
-
C14433
3.264210415
-
Bile salt
-
ME831847
-
C01558
3.461703339
-
Botrydial
Botrydial
ME831386
-
C09622
2.849914572
-
Brassicanal B
-
ME831780
-
-
19.48638204
-
Candimine
-
ME831655
-
C08520
8.021072711
-
Capric acid
Capric acid
ME831396
-
C01571
2.978818766
-
CDP-Ethanolamine
CDP-Ethanolamine
ME831418
-
C00570
12.19088582
-
CDP-N-dimethylethanolamine
-
ME831291
-
-
11.35535995
-
Cer(d33:1)
Cer 33:1;O2
ME831356
-
-
2.536828346
-
Cer(d34:2)
Cer 34:2;O2
ME831646
-
-
2.451558317
-
Cer(d36:1)
Cer 36:1;O2
ME831345
-
-
3.284339193
-
Cer(d38:2)
Cer 38:2;O2
ME831645
-
-
2.552769178
-
Cer(d40:1)
Cer 40:1;O2
ME831341
-
-
2.774785029
-
Cer(d40:2)
Cer 40:2;O2
ME831647
-
-
3.246822497
-
Cer(d41:2)
Cer 41:2;O2
ME831365
-
-
2.692655004
-
Chaetoglobosin A
-
ME831297
-
-
6.17449
-
Chelirubine
Chelirubine
ME831214
-
C06327
9.969515177
-
Chenodeoxyglycocholate
Glycochenodeoxycholic acid
ME831369
-
C05462
3.281866646
-
Chlorate
-
ME831858
-
C01485
11.31637025
-
Chlorotrianisene
-
ME831660
-
-
9.911538391
-
Cholic acid
Cholic acid
ME831417
-
C00695
6.018374939
-
Cidofovir
Cidofovir
ME831686
-
C06909
10.9008491
-
cis-Aconitic acid
cis-Aconitic acid
ME831233
-
C00417
13.78057497
-
cis-(homo)3aconitate
-
ME831434
-
-
7.876627053
-
Citric acid
Citric acid
ME831248
-
C00158
15.65267016
-
Cladinose
-
ME831764
-
C11917
6.022865889
-
Clavulanate
Clavulanate
ME831212
-
C06662
6.034939575
-
coptisine
-
ME831873
-
-
10.27812322
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME831883
-
C13050
10.41072542
-
cyclopentanehexanoic acid
-
ME831300
-
-
2.833475685
-
"cyclopropane phosphatidylglycerol (dihexadec-9,10...
-
ME831711
-
-
5.786720861
-
Cys/Asn/Gln/Arg/Arg
-
ME831635
-
-
3.461703339
-
Cys/Asp/Asp/Gly/Pro
-
ME831562
-
-
7.926679204
-
Cys/Asp/Asp/Ser/Thr
-
ME831576
-
-
10.91536168
-
Cys/Asp/Gly/Pro/Ser
-
ME831495
-
-
15.98385254
-
Cys/Asp/Phe/His/Arg
-
ME831532
-
-
8.759257507
-
Cys/Cys/Asp/Met/Pro
-
ME831542
-
-
9.896313324
-
Cys/Cys/Asp/Met/Thr
-
ME831621
-
-
11.25500498
-
Cys/Cys/Cys/Gly/Ser
-
ME831601
-
-
11.46710993
-
Cys/Cys/Cys/His/Thr
-
ME831600
-
-
6.010722478
-
Cys/Cys/Cys/Leu/Trp
-
ME831552
-
-
11.52598349
-
Cys/Cys/Gly/His/Arg
-
ME831565
-
-
7.905349986
-
Cys/Cys/His/Asn/Gln
-
ME831493
-
-
11.55122777
-
Cys/Cys/His/Gln/Gln
-
ME831631
-
-
11.31429998
-
Cys/Cys/Leu/Met/Trp
-
ME831614
-
-
11.3234094
-
Cys/Cys/Met/Met/Met
-
ME831462
-
-
11.42194265
-
Cys/Gln/Gln/Arg/Arg
-
ME831491
-
-
6.243985799
-
Cys/Gly
Cys-Gly
ME831550
-
C01419
10.988765
-
Cys/Gly/Lys/Ser/Tyr
-
ME831478
-
-
7.99209997
-
Cys/Gly/Trp/Trp/Trp
-
ME831636
-
-
8.653964895
-
Cys/His/Asn/Ser/Ser
-
ME831578
-
-
8.479315008
-
Cys/His/Pro/Arg/Thr
-
ME831474
-
-
8.535069599
-
Cys/Ile/Arg/Trp/Trp
-
ME831602
-
-
6.678586655
-
Cys/Ile/Ile/Lys/Trp
-
ME831549
-
-
12.05072566
-
Cys/Ile/Ile/Met/Met
-
ME831539
-
-
8.060881678
-
Cys/Met/Gln/Pro
-
ME831632
-
-
11.29998667
-
Cys/Met/Gly/Pro
-
ME831482
-
-
15.41650004
-
Cys/Met/Met/Phe
-
ME831548
-
-
9.860508321
-
Cys/Phe/Gly/Asn/Trp
-
ME831533
-
-
10.0465381
-
Cys/Ser/His
Cys-Ser-His
ME831526
-
-
9.625425008
-
cysteine-adenylate
-
ME831651
-
-
11.73804385
-
cytidine 5'-{[hydroxy(2-hydroxyethyl)phosphonoyl]p...
-
ME831811
-
-
10.65812174
-
demethyl-phosphinothricin
-
ME831777
-
-
11.06773997
-
deoxypumiloside
-
ME831757
-
-
8.377899958
-
Deoxyribose
Deoxyribose
ME831227
-
C01801
11.44605484
-
Deoxyribose 5-phosphate
Deoxyribose 5-phosphate
ME831235
-
C00673
10.67647425
-
DG(11D3/11M3/0:0)
-
ME831839
-
-
2.527697487
-
DG(11D3/11M5/0:0)
-
ME831766
-
-
2.542292519
-
DG(11M3/9D3/0:0)
-
ME831753
-
-
2.506410014
-
Dictyoquinazol C
Dictyoquinazol C
ME831734
-
-
3.263695857
-
Diethyl adipate
-
ME831768
-
C14566
3.434376409
-
Diethyl oxalpropionate
4-Heptenal diethyl acetal
ME831819
-
C04067
6.024792311
-
Diethyl tartrate
-
ME831723
-
-
11.318443
-
Dihydroclavaminic acid
Dihydroclavaminic acid
ME831209
-
C06659
7.503472943
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME831229
-
C00111
11.76399477
-
Diketogulonic acid
-
ME831242
-
C04575_C04575
18.08726391
-
Dimethyl adipate
Dimethyl adipate
ME831822
-
C14570
6.010079172
-
Docosahexaenoic acid
Docosahexaenoic acid
ME831279
-
C06429
2.651398627
-
Docosapentaenoic acid (22n-3)
DPA
ME831409
-
C16513
2.661720276
-
Dodecanedioic acid
Dodecanedioic acid
ME831333
-
C02678
6.322727818
-
Dodecanoic acid
Lauric acid
ME831282
-
C02679
2.844222217
-
Dopamine
Dopamine
ME831202
-
C03758
6.022259649
-
Dopaquinone
Dopaquinone
ME831188
-
C00822
11.11898884
-
Drotaverine
-
ME831762
-
-
2.510339101
-
dTDP
dTDP
ME831455
-
C00363
11.10028503
-
Eicosenoic acid
Eicosenoic acid
ME831375
-
C16526
2.633672237
-
Epinephrine sulfate
Epinephrine sulfate
ME831698
-
-
10.67879084
-
erucamide
13Z-Docosenamide
ME831773
-
-
2.667966705
-
erythro-L-galacto-Nonulose
-
ME831719
-
-
12.0915891
-
Erythronic acid
Erythronic acid
ME831254
-
C01620
10.03959088
-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
-
ME831695
-
-
3.407693746
-
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate
ME831809
-
C02975
3.440085422
-
Ethyladipic acid
-
ME831820
-
-
11.31279233
-
Ethylene brassylate
-
ME831675
-
-
3.113892343
-
Euchrenone b3
-
ME831324
-
-
2.17029651
-
FA (19:1)
Nonadecenoic acid
ME831372
-
-
2.676940293
-
FA (23:1)
Tricosenoic acid
ME831339
-
-
2.560177498
-
FA dioxo(10:0)
-
ME831355
-
-
3.443875006
-
FA methyl(16:1)
-
ME831394
-
-
2.680673599
-
FA methyl(8:0)
-
ME831420
-
-
3.073465983
-
FA oxo(7:0)
-
ME831380
-
-
6.019652006
-
ferric dicitrate
-
ME831684
-
C06229
10.65131678
-
Ferruginol
-
ME831821
-
C09092
3.436311606
-
Flavaprin
-
ME831313
-
-
10.22455495
-
Flucythrinate
Flucythrinate
ME831733
-
C14524
7.255885824
-
Fluocinolone
Fluocinolone
ME831705
-
C07006
10.71840586
-
Formylglutathione
-
ME831270
-
C01031
10.45400101
-
formyl-isoglutamine
-
ME831169
-
C16674
7.916170432
-
Formylpyruvate
-
ME831814
-
C02150
12.63644863
-
Fructose
Fructose
ME831263
-
C00095_C00795_C02336
10.34548603
-
Fructose 6-phosphate
Fructose 6-phosphate
ME831249
-
C00085
11.64362167
-
Fucose 1-phosphate
Fucose 1-phosphate
ME831221
-
C01099_C02985
11.41389664
-
Fumaric acid
Fumaric acid
ME831238
-
C00122
10.87257364
-
Fumarycarnitine
-
ME831771
-
-
8.514152103
-
Galactinoldihydrate
Galactinol
ME831744
-
-
10.74885249
-
Galacto-2-heptulose
-
ME831269
-
C02076_C08355_C08236
11.0230367
-
Galactonic acid
Galactonic acid
ME831267
-
C15930_C00800_C00257_C00880_C00770_C00514
11.09874505
-
Galactose
Galactose
ME831259
-
C01381_C00984_C00738_C00124
12.99671398
-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide
-
ME831691
-
-
8.586916606
-
"GDP-3,6-dideoxy-D-galactose"
GDP-3,6-dideoxy-D-galactose
ME831859
-
C05136
9.730748291
-
Genipin
Genipin
ME831817
-
C09780
6.024184693
-
Gentisyl alcohol
Gentisyl alcohol
ME831751
-
C10792
10.23583815
-
Gln/Val/Pro/Pro
-
ME831564
-
-
6.806724167
-
Glu/Ala/Gly
Glu-Ala-Gly
ME831535
-
-
11.53251826
-
Glu/Ala/Ile
Glu-Ala-Ile
ME831470
-
-
8.510295003
-
Glu/Ala/Ser
Glu-Ala-Ser
ME831638
-
-
11.10493835
-
Glu/Asp/Phe
Glu-Asp-Phe
ME831490
-
-
7.698044078
-
Glu/Asp/Pro
Glu-Asp-Pro
ME831508
-
-
12.02274592
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME831241
-
C06377_C00352
11.69404083
-
glucosylglycerate
-
ME831802
-
C11544
11.4407569
-
Glucuronic acid
Glucuronic acid
ME831232
-
C00191
11.52652783
-
Glu/Glu/Glu/Phe/Pro
-
ME831591
-
-
7.773628311
-
Glu/Gly/Val
Glu-Gly-Val
ME831527
-
-
9.230636648
-
Glu/Leu
Glu-Leu
ME831608
-
-
9.108924205
-
Glu/Lys/Met/Met/Pro
-
ME831468
-
-
7.774370829
-
Glu/Met/Ser
Glu-Met-Ser
ME831627
-
-
10.0684258
-
Glu/Phe/Asp/Asp
-
ME831487
-
-
14.06776911
-
Glutamate methylester
-
ME831827
-
C05016
7.648212475
-
Glutamic acid
Glutamic acid
ME831208
-
C00217_C00025_C00302
11.30206663
-
Glutamic gamma-semialdehyde
-
ME831180
-
C01165
7.283984714
-
glutathione sulfinate
-
ME831849
-
-
10.93878337
-
Glu/Thr
Glu-Thr
ME831642
-
-
11.17693736
-
Glu/Thr/Val/Gly
-
ME831520
-
-
6.571890844
-
Glu/Val/Val
Glu-Val-Val
ME831592
-
-
7.076943385
-
Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME831217
-
C00118_C00661
12.2923298
-
Glyceric acid
Glyceric acid
ME831237
-
C00258
9.644075097
-
"Glyceric acid 1,3-biphosphate"
Glyceric acid
ME831220
-
C00236
16.36321454
-
"Glycerol 1,3-didodecanoate 2-decanoate"
-
ME831815
-
-
2.539858335
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME831424
-
C00623_C00093
11.43965164
-
glycero-L-galacto-Octulose
-
ME831845
-
-
11.04195908
-
Glycerol tributanoate
TG 4:0/4:0/4:0
ME831731
-
C13870
2.938834083
-
Glycerol tripropanoate
-
ME831699
-
-
6.942748492
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME831882
-
C03274
9.920857027
-
Glycine
Glycine
ME831200
-
C00037
11.86028129
-
glycyl-L-hydroxyproline
-
ME831579
-
-
7.788280466
-
Gly/Ser
Gly-Ser
ME831504
-
-
9.706996511
-
Gly/Ser/Tyr
Gly-Ser-Tyr
ME831641
-
-
7.106028366
-
"Gossypetin 7,4'-dimethyl ether 8-acetate"
-
ME831323
-
-
10.28952494
-
Guanosine diphosphate mannose
GDP-mannose
ME831224
-
C00096_C15925_C01581
13.69370738
-
"Gulono-1,4-lactone"
D-Gulonolactone
ME831261
-
C01115_C03107_C05410
9.819850159
-
Heptadecanoic acid
Margaric acid
ME831284
-
-
2.699001408
-
heptaprenylphospho-beta-D-mannose
-
ME831715
-
-
2.34482893
-
Hericenone C
-
ME831668
-
-
13.69257442
-
hexafluorophosphate
-
ME831717
-
-
19.20482644
-
His/Arg/Arg/Val/Trp
-
ME831609
-
-
12.65250249
-
Hydantoin-5-propionic acid
Hydantoin-5-propionic acid
ME831171
-
C05565
11.78485755
-
Hydrogen phosphate
Phosphoric acid
ME831271
-
C00009
11.18480691
-
hydroxy-3-(tetradecenoyloxy)-propanoic acid
-
ME831714
-
-
2.93632431
-
hydroxylauric acid
Hydroxylauric acid
ME831312
-
-
3.01517014
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME831198
-
C06455
11.18749161
-
Hydroxypropionic acid
Hydroxypropionic acid
ME831201
-
C01013
11.43661872
-
Hydroxypyruvic acid
Hydroxypyruvic acid
ME831189
-
C00168
12.24170494
-
Hymenoflorin
Hymenoflorin
ME831682
-
C09480
3.194599295
-
Hymenoxon
Hymenoxon
ME831741
-
C09482
2.964206272
-
Hymexazol O-glucoside
Hymexazol O-glucoside
ME831665
-
C11102
10.52424749
-
Ile/Ala/Ser
Ile-Ala-Ser
ME831525
-
-
6.462385788
-
Ile/Asp/Gly
Ile-Asp-Gly
ME831507
-
-
9.592298381
-
Ile/Lys/Lys/Ser/Val
-
ME831575
-
-
12.04244325
-
Ile/Met/Met
Ile-Met-Met
ME831543
-
-
3.379430822
-
Ile/Ser/Thr
Ile-Ser-Thr
ME831567
-
-
6.547549998
-
Ile/Trp
Ile-Trp
ME831479
-
-
5.987765133
-
Ile/Tyr
Ile-Tyr
ME831580
-
-
6.011984719
-
Imidazoleacetic acid ribotide
-
ME831177
-
C04437
11.05507965
-
Iminodiacetic acid
Iminodiacetate
ME831885
-
C19911
11.55440347
-
Indoleacrylic acid
Indoleacrylic acid
ME831749
-
-
6.613179194
-
Inosine
Inosine
ME831454
-
C00294
8.463580856
-
Inosinic acid
IMP
ME831460
-
C00130
11.70420763
-
Inositol cyclic phosphate
Inositol cyclic phosphate
ME831752
-
C04299
13.13083755
-
iodovulone I
-
ME831292
-
-
7.946605784
-
Ketoleucine
Ketoleucine
ME831192
-
C00233
6.023481178
-
kifunensine
-
ME831884
-
-
10.99562922
-
LacCer(d32:1)
LacCer 32:1;O2
ME831413
-
-
3.695488385
-
Lactic acid
Lactic acid
ME831266
-
C00256_C00186
7.940612496
-
Lactosylceramide (d18:1/12:0)
-
ME831421
-
C01290
3.331778253
-
lesquerolate
Lesquerolic acid
ME831296
-
-
2.7318341
-
Leu/Ala/Ala
Leu-Ala-Ala
ME831481
-
-
6.016021729
-
Leucodopachrome
Leucodopachrome
ME831174
-
C05604
6.458468098
-
Linoleic acid
Linoleic acid
ME831285
-
C01595
2.598276382
-
Longifolonine
Longifolonine
ME831864
-
C09569
3.460159175
-
Lynestrenol
-
ME831803
-
C13037
3.150239169
-
Lys/Arg/Arg/Arg/Arg
-
ME831644
-
-
2.398857238
-
Lys/Gly
Lys-Gly
ME831559
-
-
11.7890562
-
LysoPA(16:0)
LPA 16:0
ME831290
-
C00416_C04036
5.976630885
-
LysoPA(18:1)
LPA 18:1
ME831304
-
C00416
3.008584175
-
LysoPC(20:3)
LPC 20:3
ME831315
-
C04230
2.699171761
-
LysoPE(18:2)
LPE 18:2
ME831331
-
-
3.20116834
-
LysoPE(18:3)
LPE 18:3
ME831295
-
-
3.182194163
-
LysoPE(20:4)
LPE 20:4
ME831360
-
-
3.119595833
-
LysoPG(16:0)
LPG 16:0
ME831406
-
-
2.764842504
-
LysoPG(18:1)
LPG 18:1
ME831368
-
-
3.258172468
-
LysoPG(18:2)
LPG 18:2
ME831351
-
-
2.762491671
-
LysoPI(17:0)
LPI 17:0
ME831293
-
-
5.958436635
-
LysoPI(20:3)
LPI 20:3
ME831337
-
-
2.934639982
-
LysoPS(16:0)
LPS 16:0
ME831318
-
-
5.976591695
-
LysoPS(20:4)
LPS 20:4
ME831383
-
-
2.944675865
-
LysoPS(20:5)
LPS 20:5
ME831347
-
-
2.959050013
-
Maleic acid homopolymer
Dimethyl maleate
ME831435
-
C00922
10.40105426
-
Malic acid
Malic acid
ME831251
-
C00149_C03668_C00497
12.79915971
-
Malonic semialdehyde
Malonic semialdehyde
ME831256
-
C00222
9.692413923
-
malyl alpha-D-glucosaminide
-
ME831830
-
-
11.6486512
-
mandeloylglutathione
-
ME831791
-
-
11.68632406
-
Mannitol
Mannitol
ME831264
-
C00392_C01489
10.7459582
-
Mannitol 1-phosphate
Mannitol 1-phosphate
ME831257
-
C02810_C00644_C01096
11.6186409
-
Melatonin glucuronide
-
ME831703
-
-
7.649303335
-
Metazocine
Metazocine
ME831746
-
C11789
5.747979101
-
methyl-5'-thioinosine
-
ME831735
-
-
6.092949193
-
Methyl jasmonate
Methyl jasmonate
ME831342
-
C11512
2.947590987
-
Methylmalonic acid
Methylmalonic acid
ME831461
-
C02170
11.82004509
-
Met/Val
Met-Val
ME831476
-
-
6.003309236
-
MG(14:1)
MG 14:1
ME831289
-
-
3.082254865
-
Miraxanthin-III
-
ME831689
-
C08556
6.077641163
-
monic acid
-
ME831760
-
-
11.19421039
-
monolinuron
-
ME831664
-
-
6.430504176
-
Monomethyl sulfate
Methyl sulfate
ME831824
-
C02704
7.290969404
-
Muricatenol
-
ME831728
-
-
2.49359918
-
mycosporine glycine
-
ME831706
-
-
9.244131258
-
Myristic acid
Myristic acid
ME831281
-
C06424
2.803647931
-
N-23-dihydroxybenzoyl-L-serine
-
ME831657
-
C04204
14.56169052
-
N2-Succinyl-L-glutamic acid 5-semialdehyde
-
ME831173
-
C05932
9.314632755
-
"N3-fumaramoyl-L-2,3-diaminopropanoate"
-
ME831667
-
-
11.53114383
-
N3-hydroxyethylcytosine
-
ME831853
-
-
14.37594931
-
N4-acetyl-N4-hydroxy-1-aminopropane
-
ME831848
-
-
17.01412985
-
N-(4-oxoglutaryl)-L-cysteinylglycine
-
ME831878
-
-
9.85084237
-
N-Acetylanthranilate
Methyl n-acetylanthranilate
ME831837
-
C06332
5.698788177
-
N-Acetylasparagine
N-Acetylasparagine
ME831687
-
-
8.974466112
-
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME831712
-
C12270
12.71130412
-
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucin...
-
ME831798
-
-
10.75418655
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME831836
-
C01133
9.778914998
-
N-Acetyl-D-Glucosamine 6-Phosphate
N-Acetyl-glucosamine 6-phosphate
ME831234
-
C00357_C06376
11.17467082
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME831206
-
C00624
10.99760005
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME831193
-
C01042
11.34073609
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME831881
-
C02712
6.028331604
-
N-Acetyl-S-(N-methylcarbamoyl)cysteine
N-Acetyl-S-(N-methylcarbamoyl)-cysteine
ME831785
-
C11490
6.965635808
-
NAD stem group
-
ME831661
-
-
9.813963369
-
Narceine
-
ME831658
-
C09591
8.816538239
-
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME831880
-
C03710
6.036319372
-
N-(butyryl)-L-homoserine
-
ME831774
-
C11843
6.025444391
-
N-Decanoylglycine
-
ME831789
-
-
3.387809033
-
Neodulin
-
ME831330
-
-
11.37969493
-
Nervonic acid
Nervonic acid
ME831308
-
C08323
2.580663775
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME831175
-
C00439
8.551486272
-
N-Gluconyl ethanolamine phosphate
N-Gluconyl ethanolamine phosphate
ME831861
-
-
11.41220408
-
nhatrangin B
-
ME831652
-
-
10.7088894
-
N-Hydroxy-L-tyrosine
N-Hydroxy-tyrosine
ME831178
-
C03004
9.300993856
-
nicotinamide guanine dinucleotide
-
ME831671
-
-
9.97940328
-
nicotinic acid N-oxide
-
ME831787
-
-
19.79188885
-
Nitroethane
-
ME831828
-
C01837
8.5358778
-
N-Lignoceroylsphingosine
Cer 18:1;O2/24:0
ME831310
-
C00195
3.823217519
-
N-methylmaleimide
-
ME831739
-
-
3.443216684
-
"N,N-Dihydroxy-L-tyrosine"
N,N-Dihydroxy-tyrosine
ME831185
-
C15503
6.028606203
-
"N,N-Dimethylsphingosine"
N,N-Dimethylsphingosine
ME831364
-
C13914
2.830999999
-
N-Nitrosoproline
N-Nitrosoproline
ME831713
-
C19485
11.06961386
-
N-Nonanoylglycine
-
ME831860
-
-
3.442616675
-
nocardicin E
Nocardicin E
ME831742
-
C17354_C01739
11.14735413
-
nocardicin G
-
ME831838
-
C17355
10.74501333
-
N-Oleoylethanolamine
Oleoyl-EA
ME831275
-
-
2.812968135
-
Nonate
Nonate
ME831812
-
-
6.02415621
-
Norepinephrine sulfate
Norepinephrine sulfate
ME831875
-
-
11.34162435
-
N-Palmitoylsphingosine
Cer 18:1;O2/16:0
ME831648
-
C00195
3.309298299
-
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME831207
-
C05931
11.01840794
-
O-Acetylserine
O-Acetylserine
ME831205
-
C00979
8.643840832
-
Oleoyl-CoA
Oleoyl-CoA
ME831294
-
C00510
6.076230799
-
Orotic acid
Orotic acid
ME831449
-
C00295
8.477882618
-
Orotidine
Orotidine
ME831874
-
C01103
9.886396586
-
Oxamate
-
ME831832
-
C01444
11.44370825
-
Oxoglutaric acid
2-Oxoglutaric acid
ME831258
-
C00026
12.22876195
-
PA(32:1)
PA 32:1
ME831327
-
-
2.420300802
-
PA(33:1)
PA 33:1
ME831307
-
-
2.444814987
-
PA(34:1)
PA 34:1
ME831325
-
C00416_C13889
6.015762884
-
PA(38:6)
PA 38:6
ME831309
-
-
2.332311694
-
Palmitoleic acid
Palmitoleic acid
ME831407
-
C08362
2.715548621
-
Palmitoylethanolamide
Palmitoyl-EA
ME831276
-
C16512
2.887223915
-
p-aminobenzoyl glutamate
4-Aminobenzoylglutamic acid
ME831876
-
-
11.29775248
-
Pantetheine 4'-phosphate
Pantetheine 4'-phosphate
ME831428
-
C01134
7.835365804
-
PC(31:1)
PC 31:1
ME831287
-
C00157
4.963473842
-
PC(31:3)
PC 31:3
ME831389
-
-
5.640445478
-
PC(33:2)
PC 33:2
ME831397
-
C00157
4.684385526
-
"PC(DiMe(11,3)/MonoMe(11,3))"
-
ME831786
-
-
2.521569163
-
P-DPD
-
ME831857
-
-
11.46406423
-
PE(30:4)
PE 30:4
ME831361
-
-
6.003111674
-
PE(34:3)
PE 34:3
ME831354
-
C00350
6.45322497
-
PE(36:5)
PE 36:5
ME831374
-
C00350
5.318915024
-
PE(38:3)
PE 38:3
ME831363
-
C00350
2.765689131
-
PE(P-36:3)
PE P-36:3
ME831328
-
C00350
2.692342849
-
PE(P-36:4)
PE P-36:4
ME831344
-
C00350
5.756406631
-
PE(P-38:5)
PE P-38:5
ME831348
-
C00350
5.832974218
-
peroxysulfate
-
ME831724
-
-
10.92325075
-
PG(17:0)
PG 17:0
ME831336
-
-
2.72144666
-
PG(33:1)
PG 33:1
ME831391
-
-
2.466833318
-
PG(33:2)
PG 33:2
ME831335
-
-
2.5137883
-
PG(34:2)
PG 34:2
ME831416
-
-
3.016743329
-
PG(34:3)
PG 34:3
ME831367
-
-
3.096810023
-
PG(35:1)
PG 35:1
ME831390
-
-
2.485290479
-
PG(35:2)
PG 35:2
ME831395
-
-
2.403267476
-
PG(35:3)
PG 35:3
ME831357
-
-
2.457008362
-
PG(37:5)
PG 37:5
ME831338
-
-
2.4287883
-
PG(40:10)
PG 40:10
ME831388
-
-
6.024435755
-
Phe/Asp
Phe-Asp
ME831568
-
-
8.892149099
-
Phe/His/His/His/Pro
-
ME831597
-
-
12.13966962
-
Phe/Lys/Met/Arg/Arg
-
ME831589
-
-
12.5165215
-
Phenethylamine glucuronide
-
ME831772
-
C03033
6.670514509
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME831886
-
C12600
6.01792852
-
Phe/Pro/Pro/Thr/Trp
-
ME831612
-
-
2.935379168
-
PHHdiA-PE
-
ME831755
-
-
2.756178877
-
PHODiA-PE
-
ME831788
-
-
2.728122711
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME831422
-
C13482
11.21639155
-
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME831223
-
C00074
13.37319004
-
Phosphoserine
Phosphoserine
ME831170
-
C01005
12.48353164
-
Phyllospadine
Phyllospadine
ME831842
-
C10609
8.662341614
-
PI(16:1)
PI 16:1
ME831301
-
-
5.959918365
-
PI(18:2)
PI 18:2
ME831373
-
-
2.996239166
-
PI(18:3)
PI 18:3*
ME831326
-
-
5.951468353
-
PI(20:5)
PI 20:5*
ME831321
-
-
5.931941706
-
PI(34:1)
PI 34:1
ME831353
-
C00626_C13888
5.682516658
-
PI(36:2)
PI 36:2
ME831399
-
C00626
3.249009171
-
PI(38:4)
PI 38:4
ME831359
-
C00626
3.374805845
-
P-IsoPGF2-PC
-
ME831761
-
-
2.515629972
-
Plaunol D
-
ME831833
-
C09168
7.996141663
-
"Polyethylene, oxidized"
-
ME831697
-
-
6.022234684
-
Ponatinib
-
ME831662
-
-
8.65336736
-
potassium dihydrogen phosphate
-
ME831690
-
-
14.73400137
-
Proacacipetalin
-
ME831818
-
C08338
9.114781274
-
PS(18:3)
PS 18:3*
ME831352
-
-
2.995611712
-
PS(36:2)
PS 36:2
ME831414
-
-
3.637914497
-
PS(40:6)
PS 40:6
ME831401
-
C02737
2.987665885
-
Pseudouridine
Pseudouridine
ME831448
-
C02067
9.286341095
-
PS(O-34:1)
PS O-34:1
ME831408
-
-
3.629862506
-
PS(O-36:2)
PS O-36:2
ME831334
-
-
2.984069163
-
PS(O-42:2)
PS O-42:2
ME831404
-
-
3.36360362
-
PS(P-34:0)
PS P-34:0
ME831378
-
-
6.248469187
-
PS(P-42:1)
PS P-42:1
ME831405
-
-
3.023553611
-
Pyrimidine 5'-deoxynucleotide
-
ME831702
-
C08249
11.06542235
-
Pyroglutamic acid
Pyroglutamic acid
ME831203
-
C01879_C02237
8.189892324
-
Pyrophosphate
Pyrophosphate
ME831268
-
C00013
14.08483337
-
Pyruvaldehyde
Pyruvaldehyde
ME831191
-
C00546
7.2292632
-
Pyruvate oxime
-
ME831800
-
C02193
11.32870763
-
Pyruvic acid
Pyruvic acid
ME831243
-
C00022
6.922422939
-
Quinic acid
Quinic acid
ME831197
-
C00296_C06746
10.15137431
-
Reduced coenzyme F420
-
ME831426
-
C01080
11.40877141
-
Reticuline
-
ME831211
-
C02105_C05178
6.469186168
-
Ribose
Ribose
ME831239
-
C00121_C16639
9.577147971
-
Ribose 5-phosphate
Ribose 5-phosphate
ME831230
-
C03736_C00117
11.94765498
-
Rishitin
Rishitin
ME831862
-
C09715
5.791560364
-
Rugosal
Rugosal
ME831680
-
C09717
3.047983327
-
Sarcinic acid
-
ME831412
-
C16665
2.752897941
-
Secobarbital
Secobarbital
ME831871
-
-
19.47486098
-
Sedoheptulose 7-phosphate(2-)
Sedoheptulose 7-phosphate
ME831240
-
C05382
12.30307994
-
Ser/Ser/Ser/Thr/Thr
-
ME831492
-
-
6.235585785
-
"(S,E)-Zearalenone"
-
ME831320
-
C09981
5.910734728
-
sinapoyltyramine
-
ME831795
-
-
5.949279171
-
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME831319
-
C06124
6.043502502
-
Stearic acid
Stearic acid
ME831286
-
C01530
2.676815255
-
Succinic acid
Succinic acid
ME831265
-
C00042
11.33004935
-
Succinyladenosine
Succinyladenosine
ME831869
-
-
11.08286591
-
Sulfate
Sulfate
ME831458
-
C00059
13.89377276
-
Sulfinpyrazone sulfide
-
ME831816
-
-
12.15944249
-
Sulfoacetaldehyde
Sulfoacetaldehyde
ME831196
-
C00593
9.704501385
-
Sulforhodamine B
-
ME831679
-
-
10.6219458
-
Talbutal
-
ME831678
-
-
5.776071527
-
Tauro-b-muricholic acid
Tauro-beta-muricholic acid
ME831707
-
-
3.360199191
-
Taurohyocholate
Taurohyocholic acid
ME831767
-
C15516
5.984142507
-
Tetracosanoic acid
Lignoceric acid
ME831274
-
C08320
2.51702919
-
Tetranor-PGF1alpha
Tetranor-PGF1alpha
ME831298
-
-
2.976331933
-
TG(36:0)
TG 36:0
ME831370
-
C00422
3.415020002
-
TG(49:6)
TG 49:6
ME831302
-
-
10.32074575
-
Thr/Ala/Pro
Thr-Ala-Pro
ME831464
-
-
6.030887039
-
Thr/Asn
Thr-Asn
ME831598
-
-
10.03271759
-
Thr/Asp
Thr-Asp
ME831519
-
-
11.73742411
-
threo-1-(p-Hydroxyphenyl)propylene glycol 4'-gluco...
-
ME831779
-
-
6.022218683
-
Thr/Ser
Thr-Ser
ME831625
-
-
9.63850174
-
Thr/Ser/Ser
Thr-Ser-Ser
ME831582
-
-
11.3781016
-
Thr/Thr
Thr-Thr
ME831574
-
-
9.070337677
-
Thr/Thr/Ala
Thr-Thr-Ala
ME831475
-
-
7.942262129
-
Thymidine
Thymidine
ME831456
-
C00214
6.029265955
-
Thymidine 5'-triphosphate
dTTP
ME831447
-
C00459
12.20176392
-
Thymine
Thymine
ME831450
-
C00178
6.032406192
-
trans-Aconitic acid
trans-Aconitic acid
ME831225
-
C02341_C00417
14.17478968
-
trans-Dodec-2-enoic acid
2E-Dodecenoyl-CoA
ME831273
-
-
2.891797225
-
trans-Tetra-dec-2-enoic acid
-
ME831329
-
-
2.789019447
-
Tricosanoic acid
Tricosylic acid
ME831349
-
-
2.526198336
-
Tridecanoic acid
Tridecylic acid
ME831392
-
C17076_C13795
2.823200003
-
Tridecanoylglycine
NA-Gly 13:0
ME831754
-
-
3.064061661
-
Trifluoroacetic acid
-
ME831850
-
-
11.28233414
-
Trigonelline
Trigonelline
ME831436
-
C01004
3.459455575
-
Trp/Pro/Tyr
Trp-Pro-Tyr
ME831503
-
-
8.737991689
-
Tuberculostearic acid
Tuberculostearic acid
ME831377
-
C16794
2.666016632
-
Tyrosine
Tyrosine
ME831204
-
C01536_C00082_C06420
10.03961529
-
UDP-glucose
UDP-glucose
ME831253
-
C00029
12.41202662
-
Undecanedioic acid
Undecanedioic acid
ME831340
-
-
7.045363235
-
Undecanoic acid
Undecylic acid
ME831366
-
C17715
2.924184714
-
unstable precolibactin intermediate
-
ME831758
-
-
11.27416163
-
Uplandicine
Uplandicine
ME831834
-
C10412
8.895045132
-
Ureidoisobutyric acid
Ureidoisobutyric acid
ME831445
-
C05100
9.527436786
-
Ureidosuccinic acid
N-Carbamoylaspartic acid
ME831443
-
C00438
12.91409365
-
Uridine
Uridine
ME831452
-
C00299
7.703425704
-
Uridine 5'-monophosphate
UMP
ME831457
-
C00105
11.55568886
-
Uridine diphosphate glucuronic acid
UDP-glucuronic acid
ME831219
-
C00167
14.21944743
-
Uridine diphosphate-N-acetylglucosamine
UDP-N-acetylglucosamine
ME831262
-
C00203_C00043
11.45806081
-
Uridine triphosphate
UTP
ME831444
-
C00075
14.1769224
-
Val/Ser
Val-Ser
ME831587
-
-
7.608596547
-
Val/Thr
Val-Thr
ME831616
-
#N/A
6.792194451
-
Vinylacetylglycine
Vinylacetylglycine
ME831835
-
-
6.040685357
-
Vitamin A
Retinol
ME831439
-
C00473_C00899_C16682_C19962
2.546534055
-
Vitisin B
-
ME831704
-
-
10.6634817
-
Xanthosine
Xanthosine
ME831451
-
C01762
9.733821615
-
Xanthoxin
-
ME831215
-
C13453
2.76952361
-
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Gluco...
-
ME831727
-
-
6.048281246
-
xi-7-Hydroxyhexadecanedioic acid
-
ME831700
-
-
6.028661058
-
xi-gamma-Undecalactone
gamma-Undecalactone
ME831674
-
C08571
5.920210372
-
Xylobiose
Xylobiose
ME831718
-
C01630
10.16823069
-
Xylose
Xylose
ME831231
-
C02205_C00181_C01510_C02096
10.97177984
-
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