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Return to study ST002094 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10,11-Dihydro-10,11-dihydroxyprotriptyline
-
ME492451
-
-
6.9584
-
10,11-Dihydro-10,11-dihydroxyprotriptyline +1.396
-
ME496743
-
-
1.396
-
10,11-Dihydro-10,11-dihydroxyprotriptyline +4.065
-
ME496744
-
-
4.065
-
10,11-Dihydro-10,11-dihydroxyprotriptyline +9.1691...
-
ME491785
-
-
9.169143
-
10,11-dihydroxy stearic acid
-
ME490868
-
-
10.907538
-
10,11-dihydroxy stearic acid +10.657666
-
ME492067
-
-
10.657666
-
10-[3]-ladderane-decanoic acid
-
ME496745
-
-
10.632
-
10-amino-decanoic acid
-
ME492972
-
-
4.6505
-
10-amino-decanoic acid +4.4775
-
ME494710
-
-
4.4775
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane
-
ME496746
-
C09685
3.918
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME496747
-
C09685
12.825
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME496748
-
C09685
4.348
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME493654
-
C09685
6.3903337
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME496749
-
C09685
6.422
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME492973
-
C09685
6.8967495
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME492452
-
C09685
7.4040003
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME494711
-
C09685
7.4280005
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME496750
-
C09685
7.642
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME494712
-
C09685
7.965
-
10-Deacetyl-2-debenzoylbaccatin III
10-Deacetyl-2-debenzoylbaccatin III
ME490285
-
C11899
10.134687
-
10-Deacetyl-2-debenzoylbaccatin III -5.767
10-Deacetyl-2-debenzoylbaccatin III
ME496751
-
C11899
5.767
-
10-deacetylbaccatin III
-
ME496752
-
-
10.589
-
10-Deoxygeniposidic acid
-
ME496753
-
C11672
5.412
-
10-Desacetyltaxuyunnanin C
-
ME496754
-
C15538
7.689
-
10-dodecynoic acid
-
ME496755
-
-
7.968
-
10-dodecynoic acid +9.254499
-
ME494713
-
-
9.254499
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid
-
ME494714
-
-
4.178
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +5....
-
ME494715
-
-
5.2815
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +8....
-
ME496756
-
-
8.047
-
10-hydroxy-8E-Decene-2,4,6-triynoic acid
-
ME490286
-
-
9.509937
-
10-hydroxy-8Z-Decene-4,6-diynoic acid
-
ME496757
-
-
3.407
-
10-Hydroxydesmethylnortriptyline
-
ME496758
-
-
5.932
-
10-Hydroxymorroniside
-
ME496759
-
C11660
1.596
-
10-Hydroxymorroniside +1.4087999
-
ME492453
-
C11660
1.4087999
-
10-Hydroxymorroniside +2.489
-
ME496760
-
C11660
2.489
-
10-keto stearic acid
-
ME490754
-
-
12.199072
-
10-keto stearic acid +10.017
-
ME494716
-
-
10.017
-
10-keto stearic acid +11.219
-
ME496761
-
-
11.219
-
10-keto stearic acid +12.343689
-
ME490287
-
-
12.343689
-
10-keto stearic acid +12.417466
-
ME490620
-
-
12.417466
-
10-nitro,9Z,12Z-octadecadienoic acid
10-Nitrolinoleic acid
ME496762
-
-
8.265
-
10-Oxabenzo[def]chrysen-9-one
-
ME496763
-
C18281
4.469
-
10-oxo-nonadecanoic acid
-
ME492974
-
-
13.12125
-
10-oxo-nonadecanoic acid +13.325001
-
ME494717
-
-
13.325001
-
10S,11R-epoxy-punaglandin 4
-
ME494718
-
-
9.704
-
(10S)-Juvenile hormone III acid diol
-
ME496605
-
C16506
9.512
-
(10S)-Juvenile hormone III diol
-
ME494638
-
C16505
10.6235
-
1-(10-methyl-hexadecanyl-2-(8-[3]-ladderane-octany...
-
ME496689
-
-
0.887
-
11,12,15-trihydroxy palmitic acid
-
ME496764
-
-
9.262
-
11,12,15-trihydroxy palmitic acid -8.111
-
ME496766
-
-
8.111
-
11,12,15-trihydroxy palmitic acid +9.746
-
ME496765
-
-
9.746
-
11,12-Dihydroxybenzo[a]pyrene
-
ME496767
-
C18280
3.564
-
11,12-dihydroxy stearic acid
-
ME493655
-
-
10.646334
-
11,12-dihydroxy stearic acid +10.907499
-
ME494719
-
-
10.907499
-
1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane
1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane
ME496707
-
C14136
3.943
-
1,1,2-Triphenylpropane
-
ME494693
-
C14278
8.558001
-
1,1,2-Triphenylpropane +8.593
-
ME494694
-
C14278
8.593
-
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor...
-
ME493656
-
-
6.6736665
-
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-s...
-
ME493657
-
-
9.891
-
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-s...
-
ME496769
-
-
9.305
-
11?-Acetoxykhivorin
-
ME496768
-
-
7.938
-
11alpha,17beta-Dihydroxyandrost-4-en-3-one diaceta...
-
ME496770
-
C15372
1.626
-
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione
-
ME496771
-
C14587
7.713
-
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione +8.95...
-
ME496772
-
C14587
8.954
-
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione +9.63...
-
ME496773
-
C14587
9.632
-
11-beta-hydroxyandrosterone-3-glucuronide
11beta-Hydroxyandrosterone-3-glucuronide
ME496774
-
C03033
3.972
-
11-beta-hydroxyandrosterone-3-glucuronide +5.465
11beta-Hydroxyandrosterone-3-glucuronide
ME496775
-
C03033
5.465
-
11-beta-hydroxyandrosterone-3-glucuronide +5.943
11beta-Hydroxyandrosterone-3-glucuronide
ME496776
-
C03033
5.943
-
11-beta-hydroxyandrosterone-3-glucuronide -6.266
11beta-Hydroxyandrosterone-3-glucuronide
ME496777
-
-
6.266
-
1,1-Bis(4-hydroxyphenyl)ethane
-
ME491779
-
C14349
1.621
-
11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?...
-
ME494720
-
-
6.375
-
1,1-Cyclopropanedicarboxylic acid
-
ME492063
-
-
0.9611667
-
11-Deoxylandomycinone
-
ME496778
-
C18682
1.39
-
11-Deoxylandomycinone -1.615
-
ME496779
-
C18682
1.615
-
1,1-Diphenyl-2-(4-methoxyphenyl)propene
-
ME494695
-
C15179
4.9445
-
1,1-Diphenyl-2-(4-methoxyphenyl)propene +5.644
-
ME494696
-
C15179
5.644
-
11E,13-Tetradecadienyl acetate
-
ME496780
-
-
11.569
-
11E,13Z-Hexadecadienal
-
ME496781
-
-
3.599
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid
-
ME494721
-
-
14.097
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +10...
-
ME494722
-
-
10.606
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +10...
-
ME492975
-
-
10.6095
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +13...
-
ME492976
-
-
13.44025
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +13...
-
ME492977
-
-
13.443999
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +13...
-
ME494723
-
-
13.7455
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +7....
-
ME496782
-
-
7.338
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +7....
-
ME494724
-
-
7.6549997
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +9....
-
ME496783
-
-
9.276
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +9....
-
ME496784
-
-
9.906
-
11-Hydroxyandrosterone
-
ME496785
-
C14606
4.637
-
11-lauroleic acid
-
ME496786
-
-
9.239
-
11-lauroleic acid +11.654
-
ME496787
-
-
11.654
-
11-lauroleic acid +12.448833
-
ME492068
-
-
12.448833
-
11-lauroleic acid +6.537
-
ME496788
-
-
6.537
-
11-Methyl-9Z,12-tridecadienyl acetate
-
ME492978
-
-
3.64
-
11-Methyl-9Z,12-tridecadienyl acetate +10.393166
-
ME492069
-
-
10.393166
-
11-Methyl-9Z,12-tridecadienyl acetate +10.480429
-
ME491786
-
-
10.480429
-
11-O-Demethyl-7-methoxypradinone II
-
ME496789
-
C06774
5.03
-
1-(1-Oxopropyl)-1H-imidazole
N-Propanoylimidazole
ME494687
-
C03007
1.079
-
11R-hydroxy-dodecanoic acid
-
ME490869
-
-
10.253769
-
11S-hydroxy-hexadecanoic acid
-
ME491090
-
-
11.300091
-
11S-hydroxy-hexadecanoic acid -11.4225
-
ME492979
-
-
11.4225
-
11S-hydroxy-hexadecanoic acid -11.508
-
ME496790
-
-
11.508
-
11S-hydroxy-hexadecanoic acid -11.607917
-
ME490975
-
-
11.607917
-
11S-hydroxy-hexadecanoic acid -11.953
-
ME496791
-
-
11.953
-
11S-hydroxy-hexadecanoic acid -12.6835
-
ME494725
-
-
12.6835
-
(11Z)-8,18-propano-retinal
-
ME494639
-
-
9.9995
-
11Z-Eicosenal
-
ME496792
-
-
4.862
-
12:0 Cholesteryl ester
CE 12:0
ME496793
-
-
0.891
-
12,13-dihydroxy-11-methoxy-9-octadecenoic acid
12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
ME490755
-
-
11.432142
-
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic aci...
-
ME492454
-
-
12.878
-
(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
-
ME496585
-
C15464
4.998
-
1,2,3,4,6,7,8-Heptachlorodibenzodioxin
-
ME496708
-
C18103
0.879
-
1,2,3,4,6,7,8-Heptachlorodibenzodioxin +5.618
-
ME496709
-
C18103
5.618
-
1,2,3,4,7,8,9-Heptachlorodibenzofuran
-
ME496710
-
C18112
0.883
-
1,2,3,7,8-Pentachlorodibenzodioxin
-
ME496711
-
C18099
0.89
-
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihyd...
-
ME490284
-
-
14.089813
-
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihyd...
-
ME492971
-
-
13.1095
-
1?,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]...
-
ME491217
-
-
14.5311
-
1?,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]...
-
ME494708
-
-
14.512501
-
1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-di...
-
ME494709
-
-
7.251
-
12a-Hydroxyisomillettone
-
ME492070
-
-
9.453334
-
1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...
-
ME493650
-
-
4.8283334
-
1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...
-
ME496690
-
-
4.016
-
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4...
-
ME491551
-
C15165
6.7996244
-
12-amino-dodecanoic acid
12-Aminododecanoic acid
ME490288
-
-
7.4171877
-
12-amino-octadecanoic acid
-
ME496794
-
-
12.7
-
12-amino-octadecanoic acid +11.259
-
ME496795
-
-
11.259
-
1,2-Bis(chloromethoxy)ethane
-
ME494697
-
C19348
0.836
-
1,2-Bis(chloromethoxy)ethane +0.83933336
-
ME493651
-
C19348
0.83933336
-
1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenz...
-
ME496742
-
C14967
0.839
-
12-chloro-dodecanoic acid
12-Chloro-dodecanoic acid
ME496796
-
-
1.612
-
1,2-Dihexanoyl-sn-glycerol
-
ME494698
-
-
5.1870003
-
1,2-Dihexanoyl-sn-glycerol -5.1685
-
ME494699
-
-
5.1685
-
1,2-Dihexanoyl-sn-glycerol -5.689
-
ME496712
-
-
5.689
-
1',2'-Dihydrochlorobactene
-
ME490972
-
C15910
13.673332
-
1,2-dihydrostilbene
-
ME496713
-
C14685
3.599
-
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxyla...
-
ME496714
-
C06731
3.29
-
1,2-Dihydroxytacrine
-
ME492446
-
-
4.6992
-
1,2-Dihydroxytacrine -4.8245
-
ME494700
-
-
4.8245
-
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene
-
ME490753
-
C12263
9.471572
-
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene...
-
ME490283
-
C12263
11.709812
-
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene...
-
ME496715
-
C12263
2.657
-
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene...
-
ME496716
-
C12263
9.494
-
1,2-Epoxy-3,4-butanediol 4-methanesulfonate
-
ME492447
-
-
0.9286
-
1,2?-Epoxydeacetoxydihydrogedunin
-
ME492445
-
-
7.6032
-
1,2-Epoxypropane
-
ME491780
-
C15508
3.8104286
-
1,2-Epoxypropane +3.905
-
ME496717
-
C15508
3.905
-
1,2-Epoxypropane +3.9447498
-
ME492965
-
C15508
3.9447498
-
12-Hydroxydihydrochelirubine
-
ME496797
-
C05193
7.309
-
12-Hydroxydihydrochelirubine -7.665
-
ME496798
-
C05193
7.665
-
1-(2-hydroxyethyl)-1-methylguanidine
-
ME496691
-
-
1.282
-
1-(2-hydroxyethyl)-1-methylguanidine +1.401
-
ME496692
-
-
1.401
-
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazol...
-
ME494688
-
-
0.87399995
-
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazol...
-
ME491549
-
-
4.4807506
-
12-keto-10,11,14,15-tetrahydro-LTB4
-
ME493658
-
-
9.717999
-
12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-...
-
ME494726
-
-
1.402
-
1,2-Naphthoquinone
-
ME496718
-
C14783
6.472
-
1,2-O-Diacetylzephyranthine
-
ME492448
-
C12171
5.0059996
-
1,2-O-Diacetylzephyranthine +5.0668
-
ME492449
-
C12171
5.0668
-
12-oxo-10Z-octadecenoic acid
-
ME491218
-
-
12.217699
-
12-oxo-10Z-octadecenoic acid +10.398666
-
ME493659
-
-
10.398666
-
12-oxo-10Z-octadecenoic acid +10.480332
-
ME493660
-
-
10.480332
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME496799
-
-
8.614
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME496800
-
-
11.167
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME496801
-
-
7.967
-
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]ami...
-
ME494701
-
-
3.5865
-
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]ami...
-
ME496719
-
-
1.218
-
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]ami...
-
ME492966
-
-
3.7925003
-
1-(2-Pyrimidyl)piperazine
1-(2-Pyrimidyl)piperazine
ME496693
-
-
1.288
-
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid
-
ME496802
-
-
10.593
-
12R-acetoxy-7Z-punaglandin 3
-
ME496803
-
-
3.417
-
12R-HETrE
-
ME492071
-
-
12.190833
-
13,14-dihydro-15-keto-PGD2-d4
13,14-Dihydro-15-keto-PGD2
ME496805
-
-
12.842
-
13,14-dihydro-15-keto Prostaglandin J2
-
ME496804
-
-
7.152
-
13,14-dihydro-15-keto-tetranor PGF1?
-
ME496806
-
-
8.265
-
13,14-dihydro-15-keto-tetranor PGF1? -8.327
-
ME496807
-
-
8.327
-
13,14-dihydro-16,16-difluoro Prostaglandin E1
-
ME496808
-
-
3.618
-
13,14-epoxy Fluprostenol Isopropyl Ester
-
ME492455
-
-
8.2504
-
13,14-epoxy Fluprostenol Isopropyl Ester -8.229667
-
ME493661
-
-
8.229667
-
1?,3?,4?-p-menthane-3,8-diol
-
ME496741
-
-
8.052
-
1,3,5-Trihydroxyxanthone
-
ME496720
-
C10094
0.961
-
1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene
ME496721
-
-
3.419
-
1,3,5-Trimethoxybenzene +1.392
1,3,5-Trimethoxybenzene
ME496722
-
-
1.392
-
1,3,5-Trimethoxybenzene -3.963
1,3,5-Trimethoxybenzene
ME496723
-
-
3.963
-
1,3,5-Trimethoxybenzene -4.272
1,3,5-Trimethoxybenzene
ME496724
-
-
4.272
-
1,3,5-Trimethoxybenzene -4.335
1,3,5-Trimethoxybenzene
ME496725
-
-
4.335
-
1,3,5-Trimethoxybenzene -4.417
1,3,5-Trimethoxybenzene
ME496726
-
-
4.417
-
1,3,5-Trimethoxybenzene -4.565
1,3,5-Trimethoxybenzene
ME496727
-
-
4.565
-
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME491781
-
C16361
4.123857
-
1-(3-Aminopropyl)-4-aminobutanal
-
ME492961
-
-
1.6217499
-
1-(3-Aminopropyl)-4-aminobutanal +1.427
-
ME496697
-
-
1.427
-
1-(3-Aminopropyl)-4-aminobutanal +2.794
-
ME496698
-
-
2.794
-
1-(3-Aminopropyl)-4-aminobutanal +5.6875
-
ME494689
-
-
5.6875
-
1,3-Butadiene
1,3-Butadiene
ME492064
-
C16450
1.2868333
-
1,3-Butadiene +3.592
1,3-Butadiene
ME493652
-
C16450
3.592
-
13-Deoxydaunorubicin
-
ME496809
-
C12429
1.402
-
13-Deoxytedanolide
-
ME496810
-
C16861
4.969
-
13-Deoxytedanolide +10.31043
-
ME491787
-
C16861
10.31043
-
13-Deoxytedanolide -6.945
-
ME491375
-
C16861
6.945
-
13-Deoxytedanolide -7.06
-
ME496812
-
C16861
7.06
-
13-Deoxytedanolide +7.072
-
ME496811
-
C16861
7.072
-
13-Deoxytedanolide -9.147667
-
ME491376
-
C16861
9.147667
-
13-Deoxytedanolide -9.167667
-
ME493662
-
C16861
9.167667
-
13-Deoxytedanolide +9.2671995
-
ME492456
-
C16861
9.2671995
-
1,3-Di-(5Z,8Z,11Z,14Z,17Z-icosapentaenoyl)-2-hydro...
-
ME492967
-
-
0.89175004
-
1,3-Dibenzyltetramethyldisiloxane
-
ME492968
-
C14252
1.3945
-
1,3-Diheptadecanoyl-2-hydroxy-sn-glycerol-d5
-
ME492066
-
-
0.8905
-
1,3-Dimethyl-6,8-isoquinolinediol
-
ME496728
-
C12345
4.413
-
1,3-Dimethyl-6,8-isoquinolinediol +7.1879997
-
ME494702
-
C12345
7.1879997
-
1,3-di-(octadec-9Z-enoyl)-(1-cyano-2-methylene-pro...
-
ME492065
-
C13845
0.9008333
-
1,3-Diphenylpropane
-
ME496729
-
C14581
4.095
-
1,3-Diphenylpropane +4.64
-
ME496730
-
C14581
4.64
-
1,3-Diphenyltetramethyldisiloxane
-
ME494703
-
C14251
3.1625
-
1,3-Diphenyltetramethyldisiloxane +1.3995
-
ME494704
-
C14251
1.3995
-
1,3-Diphenyltetramethyldisiloxane +4.335
-
ME496731
-
C14251
4.335
-
13-Docosenamide
13-Docosenamide
ME490289
-
-
14.393562
-
13-Ethyl-6a,17-dihydroxy-18,19-dinor-17a-pregna-4,...
-
ME494728
-
-
1.398
-
13-Ethyl-6a,17-dihydroxy-18,19-dinor-17a-pregna-4,...
-
ME496813
-
-
1.63
-
1(3)-glyceryl-PGH2
-
ME492960
-
-
7.77475
-
1(3)-glyceryl-PGH2 +3.848
-
ME496694
-
-
3.848
-
1(3)-glyceryl-PGH2 -5.881
-
ME496695
-
-
5.881
-
1(3)-glyceryl-PGH2 -6.117
-
ME496696
-
-
6.117
-
13H-Dibenzo[a,g]fluorene
-
ME496814
-
C19391
2.336
-
13H-Dibenzo[a,g]fluorene +3.063
-
ME496815
-
C19391
3.063
-
13H-Dibenzo[a,g]fluorene -5.178
-
ME496816
-
C19391
5.178
-
13-Hydroxypergolide glucuronide
-
ME496817
-
-
7.474
-
13-Hydroxypergolide glucuronide -7.254
-
ME496818
-
-
7.254
-
13-Hydroxypergolide glucuronide -7.338
-
ME496819
-
-
7.338
-
13-Hydroxypergolide glucuronide -7.461
-
ME496820
-
-
7.461
-
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One
-
ME492980
-
-
3.757
-
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One ...
-
ME494729
-
-
4.375
-
13(S)-HODE methyl ester
-
ME494727
-
-
12.169
-
13-tetradecen-2,4-diyn-1-ol
-
ME491788
-
-
1.3455714
-
13-tetradecen-2,4-diyn-1-ol +1.202
-
ME496821
-
-
1.202
-
13-tetradecen-2,4-diyn-1-ol +2.271
-
ME496822
-
-
2.271
-
13Z-octadecenoic acid
13Z-Octadecenoic acid
ME494730
-
-
12.188999
-
13Z-octadecenoic acid -13.301999
13Z-Octadecenoic acid
ME493663
-
-
13.301999
-
13Z-octadecenoic acid -13.473
13Z-Octadecenoic acid
ME494731
-
-
13.473
-
1400W
-
ME494732
-
-
9.5655
-
14,14,14-Trifluoro-11Z-tetradecenyl acetate
-
ME496824
-
-
3.473
-
1,4'-Bipiperidine-1'-carboxylic acid
-
ME491550
-
C16836
2.2265
-
1,4'-Bipiperidine-1'-carboxylic acid +1.97
-
ME496732
-
C16836
1.97
-
1,4'-Bipiperidine-1'-carboxylic acid +2.15
-
ME496733
-
C16836
2.15
-
1,4'-Bipiperidine-1'-carboxylic acid +2.174
-
ME494705
-
C16836
2.174
-
1,4'-Bipiperidine-1'-carboxylic acid +3.077
-
ME496734
-
C16836
3.077
-
1,4'-Bipiperidine-1'-carboxylic acid +6.114
-
ME496735
-
C16836
6.114
-
1,4-Dioxane
-
ME492969
-
C14440
3.57025
-
1,4-Dioxane -3.199
-
ME496736
-
C14440
3.199
-
14E-Octadecenal
-
ME490621
-
-
13.734934
-
1-(4'-Hydroxyphenyl)ethanol
-
ME496699
-
C13638
1.629
-
1-(4'-Hydroxyphenyl)ethanol +3.465
-
ME494690
-
C13638
3.465
-
1-(4'-Hydroxyphenyl)ethanol -4.245
-
ME496700
-
C13638
4.245
-
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone
-
ME492962
-
C15032
3.0755
-
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone ...
-
ME492963
-
C15032
0.93474996
-
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone ...
-
ME496701
-
C15032
2.266
-
14(Z)-Eicosenoic Acid
-
ME496823
-
-
9.649
-
15-deoxy-?-12,14-PGJ2-d4
-
ME494736
-
-
10.016
-
15-HETE-G
-
ME492457
-
-
11.905199
-
15-HETE-G +12.089001
-
ME494737
-
-
12.089001
-
15-HETE-G -8.337
-
ME496826
-
-
8.337
-
15-HETE-GABA
-
ME496827
-
-
8.975
-
1-(5-Hydroxy-2-pyrimidinyl)piperazine
-
ME494691
-
-
1.857
-
1-(5-Hydroxy-2-pyrimidinyl)piperazine +1.9565
-
ME494692
-
-
1.9565
-
1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.03
-
ME496702
-
-
2.03
-
1-(5-Hydroxy-2-pyrimidinyl)piperazine +3.073
-
ME496703
-
-
3.073
-
15-hydroxy stearic acid
-
ME490756
-
-
12.017428
-
15-hydroxy stearic acid -12.066
-
ME496828
-
-
12.066
-
15-hydroxy stearic acid -12.077067
-
ME490622
-
-
12.077067
-
15-hydroxy stearic acid -12.163124
-
ME490290
-
-
12.163124
-
15-hydroxy stearic acid -12.165601
-
ME492458
-
-
12.165601
-
15-hydroxy stearic acid -12.261374
-
ME490291
-
-
12.261374
-
15-hydroxy stearic acid -12.344301
-
ME491219
-
-
12.344301
-
15-hydroxy stearic acid -12.818
-
ME496829
-
-
12.818
-
1-(5-Ketohexyl)-3-methylxanthine
-
ME496704
-
-
3.019
-
15-Lipoxygenase Inhibitor 1
-
ME494738
-
-
4.813
-
1,5-Naphthalenediamine
1,5-Naphthalenediamine
ME491782
-
C19463
3.6567142
-
1,5-Naphthalenediamine +1.3970001
1,5-Naphthalenediamine
ME494706
-
C19463
1.3970001
-
1,5-Naphthalenediamine +3.527
1,5-Naphthalenediamine
ME496737
-
C19463
3.527
-
1,5-Naphthalenediamine +3.9932857
1,5-Naphthalenediamine
ME491783
-
C19463
3.9932857
-
15-octadecene-9,11,13-triynoic acid
-
ME496830
-
-
3.185
-
15-octadecene-9,11,13-triynoic acid +3.513
-
ME496831
-
-
3.513
-
15-Oxo-5?-cholan-24-oic Acid
-
ME492459
-
-
8.351
-
15-Oxo-5?-cholan-24-oic Acid +10.609545
-
ME491091
-
-
10.609545
-
15-Oxo-5?-cholan-24-oic Acid +8.268
-
ME496832
-
-
8.268
-
15-Oxo-5?-cholan-24-oic Acid +9.6882
-
ME492460
-
-
9.6882
-
15-oxo-hexadecanoic acid
-
ME496833
-
-
11.55
-
15-oxo-hexadecanoic acid -11.871
-
ME494739
-
-
11.871
-
15-oxo-hexadecanoic acid -12.2005005
-
ME494740
-
-
12.2005005
-
15-oxo-hexadecanoic acid -12.419
-
ME496834
-
-
12.419
-
15-oxo-LXA4
-
ME496835
-
-
4.328
-
15(R)-17-phenyl trinor PGF2? isopropyl ester
-
ME493664
-
-
6.763334
-
15(R)-17-phenyl trinor PGF2? isopropyl ester -13.1...
-
ME494735
-
-
13.1105
-
15(R)-17-phenyl trinor PGF2? isopropyl ester +7.25...
-
ME494733
-
-
7.2580004
-
15(R)-17-phenyl trinor PGF2? isopropyl ester -7.76...
-
ME493665
-
-
7.763334
-
15(R)-17-phenyl trinor PGF2? isopropyl ester +7.78...
-
ME492982
-
-
7.7815
-
15(R)-17-phenyl trinor PGF2? isopropyl ester +8.21...
-
ME496825
-
-
8.216
-
15(R)-17-phenyl trinor PGF2? isopropyl ester +9.07...
-
ME494734
-
-
9.071501
-
15(R),19(R)-hydroxy Prostaglandin F1?
-
ME492981
-
-
12.014501
-
15R-PGA2 methyl ester, 15-acetate
-
ME496836
-
-
6.553
-
16,17-epoxy-DHA
16,17-Epoxy-DHA
ME496837
-
-
14.106
-
16alpha,17alpha-Dihydroxyprogesterone acetophenide
16alpha,17alpha-Dihydroxyprogesterone acetophenide
ME494741
-
C14674
6.7645
-
16alpha,17alpha-Dihydroxyprogesterone acetophenide...
16alpha,17alpha-Dihydroxyprogesterone acetophenide
ME496838
-
C14674
6.742
-
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-o...
-
ME496839
-
C14637
4.181
-
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic ...
-
ME492450
-
C15089
2.7544
-
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic ...
-
ME494707
-
C15089
2.696
-
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic ...
-
ME496738
-
C15089
2.74
-
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic ...
-
ME492970
-
C15089
3.724
-
1,6-Dimethoxypyrene
-
ME493653
-
C18260
3.1490002
-
1,6-Dimethoxypyrene +3.231
-
ME496739
-
C18260
3.231
-
16-Feruloyloxypalmitate
-
ME496840
-
C18217
14.069
-
16?-Hydroxy-17-epistanozolol
-
ME490623
-
-
12.798066
-
16-Hydroxy-4-carboxyretinoic acid
-
ME494742
-
-
0.945
-
16-phenoxy tetranor PGF2?
-
ME496841
-
-
6.313
-
17,20-dimethyl Prostaglandin F1?
-
ME490292
-
-
12.736938
-
17,20-dimethyl Prostaglandin F1? +12.883561
-
ME490293
-
-
12.883561
-
17,20-dimethyl Prostaglandin F1? +12.982751
-
ME490976
-
-
12.982751
-
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydr...
-
ME496842
-
C15429
3.458
-
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,2...
-
ME490624
-
C15309
11.447534
-
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,2...
-
ME496843
-
C15309
11.499
-
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,2...
-
ME494743
-
C15309
11.6625
-
?17-6-keto PGF1?
-
ME496680
-
-
9.729
-
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one
-
ME496844
-
C14911
7.634
-
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one
-
ME492461
-
C14588
11.3026
-
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one pro...
-
ME496845
-
C15374
5.99
-
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one pro...
-
ME496846
-
C15374
10.393
-
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol
-
ME494744
-
C15197
7.2644997
-
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol +7.36
-
ME496847
-
C15197
7.36
-
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME490973
-
C16356
3.2197502
-
1,7-Dimethyluric acid -3.8148334
1,7-Dimethyluric acid
ME490974
-
C16356
3.8148334
-
17-Epiestriol
-
ME496848
-
-
3.268
-
17-Epiestriol +3.407
-
ME496849
-
-
3.407
-
17-Epiestriol +4.0514
-
ME492462
-
-
4.0514
-
17-Epiestriol +4.309
-
ME496850
-
-
4.309
-
17-Epiestriol +4.471
-
ME496851
-
-
4.471
-
17-Epiestriol +4.5494
-
ME492463
-
-
4.5494
-
17-Epiestriol +4.642
-
ME496852
-
-
4.642
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME490294
-
C15090
11.427875
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME490625
-
C15090
11.486068
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME490626
-
C15090
11.535733
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME492072
-
C15090
11.560501
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME490295
-
C15090
11.650563
-
17-hydroxyandrostane-3-glucuronide
11beta-Hydroxyandrosterone-3-glucuronide
ME494745
-
C03033
10.587999
-
17-hydroxyandrostane-3-glucuronide -10.588
11beta-Hydroxyandrosterone-3-glucuronide
ME493666
-
C03033
10.588
-
17-hydroxyandrostane-3-glucuronide +5.125
-
ME496853
-
-
5.125
-
17-hydroxyandrostane-3-glucuronide +5.203
-
ME496854
-
-
5.203
-
17-hydroxyandrostane-3-glucuronide +6.139
11beta-Hydroxyandrosterone-3-glucuronide
ME496855
-
C03033
6.139
-
17-hydroxyandrostane-3-glucuronide -6.168
-
ME496859
-
-
6.168
-
17-hydroxyandrostane-3-glucuronide -6.316
-
ME496860
-
-
6.316
-
17-hydroxyandrostane-3-glucuronide +6.333
-
ME496856
-
-
6.333
-
17-hydroxyandrostane-3-glucuronide -6.401
11beta-Hydroxyandrosterone-3-glucuronide
ME496861
-
C03033
6.401
-
17-hydroxyandrostane-3-glucuronide -6.611
11beta-Hydroxyandrosterone-3-glucuronide
ME496862
-
C03033
6.611
-
17-hydroxyandrostane-3-glucuronide -6.629
11beta-Hydroxyandrosterone-3-glucuronide
ME496863
-
C03033
6.629
-
17-hydroxyandrostane-3-glucuronide +6.63
11beta-Hydroxyandrosterone-3-glucuronide
ME496857
-
C03033
6.63
-
17-hydroxyandrostane-3-glucuronide -7.07
11beta-Hydroxyandrosterone-3-glucuronide
ME496864
-
C03033
7.07
-
17-hydroxyandrostane-3-glucuronide +7.386
11beta-Hydroxyandrosterone-3-glucuronide
ME496858
-
C03033
7.386
-
17-Methylmorphinan
N-Methylmorphinan
ME496865
-
C11788
1.618
-
17-phenoxy trinor PGF2? ethyl amide
-
ME496866
-
-
9.234
-
17-phenoxy trinor PGF2? ethyl amide -10.394
-
ME496868
-
-
10.394
-
17-phenoxy trinor PGF2? ethyl amide -10.591
-
ME492983
-
-
10.591
-
17-phenoxy trinor PGF2? ethyl amide +6.546
-
ME496867
-
-
6.546
-
17-phenoxy trinor PGF2? ethyl amide -9.70775
-
ME492984
-
-
9.70775
-
17-phenoxy trinor Prostaglandin F2? isopropyl este...
-
ME496869
-
-
6.849
-
17-phenyl trinor PGF2? diethyl amide
-
ME496870
-
-
7.011
-
17-Propyl-5alpha-androst-2-en-17beta-ol
-
ME496871
-
C14933
7.296
-
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2...
-
ME496875
-
-
7.797
-
17-trifluoromethylphenyl-13,14-dihydro trinor Pros...
-
ME496876
-
-
8.081
-
17-trifluoromethylphenyl trinor PGF2?
-
ME496872
-
-
7.581
-
17-trifluoromethylphenyl trinor PGF2? -7.58
-
ME496873
-
-
7.58
-
17-trifluoromethylphenyl trinor PGF2? -8.227
-
ME496874
-
-
8.227
-
17-trifluoromethylphenyl trinor PGF2? isopropyl es...
-
ME492073
-
-
10.1414995
-
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME491784
-
C04277
3.2611427
-
1,8-Diazacyclotetradecane-2,9-dione +3.608
1,8-Diazacyclotetradecane-2,9-dione
ME496740
-
C04277
3.608
-
18-hydroxy-9R,10S-epoxy-stearic acid
-
ME490757
-
-
10.3962145
-
18-hydroxy-9R,10S-epoxy-stearic acid +10.13
-
ME494746
-
-
10.13
-
18-hydroxy-9R,10S-epoxy-stearic acid +10.4345
-
ME494747
-
-
10.4345
-
18-hydroxy-9R,10S-epoxy-stearic acid +10.478
-
ME490758
-
-
10.478
-
18-hydroxy-9R,10S-epoxy-stearic acid +10.579
-
ME496877
-
-
10.579
-
18-hydroxy-9R,10S-epoxy-stearic acid +10.609125
-
ME491552
-
-
10.609125
-
18-hydroxy-9R,10S-epoxy-stearic acid +10.621
-
ME494748
-
-
10.621
-
18-hydroxy-9R,10S-epoxy-stearic acid +13.44
-
ME496878
-
-
13.44
-
18-hydroxy-9R,10S-epoxy-stearic acid +13.7345
-
ME494749
-
-
13.7345
-
18-hydroxy-9S,10R-epoxy-stearic acid
18-Hydroxy-9S,10R-epoxy-stearic acid
ME493667
-
-
10.126666
-
18-hydroxy-9S,10R-epoxy-stearic acid +10.572
18-Hydroxy-9S,10R-epoxy-stearic acid
ME496879
-
-
10.572
-
18-Oxocortisol
18-Oxocortisol
ME496880
-
-
3.833
-
18-oxo-Resolvin E1
18-Oxo-Resolvin E1
ME490627
-
-
12.258667
-
18-oxo-Resolvin E1 -6.181
18-Oxo-Resolvin E1
ME496882
-
-
6.181
-
18-oxo-Resolvin E1 +6.21
18-Oxo-Resolvin E1
ME496881
-
-
6.21
-
18-oxo-Resolvin E1 -8.888
18-Oxo-Resolvin E1
ME496883
-
-
8.888
-
19-hydroxy-PGA2
-
ME496884
-
-
6.13
-
19-hydroxy-PGA2 +6.978
-
ME496885
-
-
6.978
-
19-hydroxy-PGA2 +7.509
-
ME496886
-
-
7.509
-
19-hydroxy-Resolvin E1
19-Hydroxy-Resolvin E1
ME493668
-
-
6.4916663
-
19-hydroxy-Resolvin E1 +11.994784
19-Hydroxy-Resolvin E1
ME490759
-
-
11.994784
-
19-hydroxy-Resolvin E1 +3.402
19-Hydroxy-Resolvin E1
ME496887
-
-
3.402
-
19-hydroxy-Resolvin E1 -6.4787993
19-Hydroxy-Resolvin E1
ME492464
-
-
6.4787993
-
19-hydroxy-Resolvin E1 -7.1795
19-Hydroxy-Resolvin E1
ME494750
-
-
7.1795
-
19-methyl-heneicosanoic acid
-
ME493669
-
-
12.686333
-
19-Oxo-9-cis-retinoic acid
-
ME496888
-
-
5.18
-
19(R)-hydroxy-PGB2
19R-Hydroxy-PGB2
ME492985
-
-
6.3075
-
1a,1b-dihomo-PGJ2
1a,1b-Dihomo-PGJ2
ME494751
-
-
13.552
-
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME496889
-
C10427
4.993
-
1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-d...
-
ME496890
-
C14960
3.397
-
1-Amino-1-deoxy-scyllo-inositol 4-phosphate
-
ME493670
-
C01283
1.052
-
1-Amino-1-deoxy-scyllo-inositol 4-phosphate +1.005...
-
ME493671
-
C01283
1.0059999
-
1-amino-3,3-diethoxypropane
-
ME496891
-
-
1.284
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME494752
-
-
3.8375
-
1-Aminocyclohexanecarboxylic acid +1.509
1-Azaniumylcyclohexane-1-carboxylate
ME492986
-
-
1.509
-
1-Aminocyclohexanecarboxylic acid +1.7743334
1-Azaniumylcyclohexane-1-carboxylate
ME493672
-
-
1.7743334
-
1-Aminocyclohexanecarboxylic acid +1.8387998
1-Azaniumylcyclohexane-1-carboxylate
ME492465
-
-
1.8387998
-
1-Aminocyclohexanecarboxylic acid +1.844
1-Azaniumylcyclohexane-1-carboxylate
ME496892
-
-
1.844
-
1-Aminocyclohexanecarboxylic acid +2.185
1-Azaniumylcyclohexane-1-carboxylate
ME496893
-
-
2.185
-
1-Aminocyclohexanecarboxylic acid +2.262
1-Azaniumylcyclohexane-1-carboxylate
ME496894
-
-
2.262
-
1-Aminocyclopropane-1-carboxylic acid
1-Aminocyclopropanecarboxylic acid
ME494753
-
C01234
0.95
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME492964
-
C15497
1.12475
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +...
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME496705
-
C15497
1.628
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +...
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME496706
-
C15497
4.121
-
1-Caffeoyl-beta-D-glucose
-
ME496895
-
C10433
1.388
-
1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propa...
1-Carbazol-9-yl-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
ME496896
-
C11560
3.291
-
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
-
ME494754
-
C01298
3.8105001
-
1-Epideacetylbowdensine
-
ME494755
-
C12169
3.885
-
1-Epideacetylbowdensine +3.462
-
ME492987
-
C12169
3.462
-
1-Epideacetylbowdensine +3.503
-
ME496897
-
C12169
3.503
-
1-Epideacetylbowdensine +4.148
-
ME496898
-
C12169
4.148
-
1-Fluorocyclohexadiene-cis,cis-1,2-diol
-
ME496899
-
C16484
0.842
-
1-Guanidino-1-deoxy-scyllo-inositol
1-Guanidino-1-deoxy-scyllo-inositol
ME496900
-
C04280
3.173
-
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate
ME494756
-
C01294
1.3405
-
1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-...
-
ME492074
-
-
3.6353333
-
1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dim...
-
ME496901
-
-
1.686
-
1-Hexadecylamine
1-Hexadecylamine
ME491092
-
-
11.463363
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester
-
ME492943
-
-
1.3322501
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +1....
-
ME496606
-
-
1.069
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +1....
-
ME492944
-
-
1.3352501
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +1....
-
ME494640
-
-
1.6355
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +4....
-
ME494641
-
-
4.271
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +4....
-
ME496607
-
-
4.413
-
1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2...
-
ME494757
-
-
0.9425
-
1-Hydroxyhexane-1,2,6-tricarboxylate
-
ME492075
-
C16600
1.382
-
1-Hydroxyhexane-1,2,6-tricarboxylate +1.339
-
ME496902
-
C16600
1.339
-
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxi...
-
ME491789
-
C04731
1.2347143
-
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxi...
-
ME493673
-
C04731
4.123
-
1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthy...
-
ME494758
-
C14901
1.392
-
1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthy...
-
ME496903
-
C14901
5.542
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME494759
-
-
3.3365
-
1-Methylhypoxanthine +2.314
1-Methylhypoxanthine
ME496904
-
-
2.314
-
1-Methylhypoxanthine +3.451
1-Methylhypoxanthine
ME496905
-
-
3.451
-
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-...
-
ME494760
-
-
10.5975
-
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-...
-
ME496906
-
-
5.238
-
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-...
-
ME496907
-
-
5.52
-
1-Methylpyrrolinium
1-Methylpyrrolinium
ME496908
-
C06178
0.839
-
1-Methyluric acid
1-Methyluric acid
ME491553
-
C16359
3.1087499
-
1-Methyluric acid -2.872
1-Methyluric acid
ME496909
-
C16359
2.872
-
1-Methyluric acid -2.9015
1-Methyluric acid
ME494761
-
C16359
2.9015
-
1-Naphthylamine
1-Naphthylamine
ME491554
-
C14790
4.6495
-
1-Naphthylamine +4.66
1-Naphthylamine
ME496910
-
C14790
4.66
-
1-Naphthylmethanol glucuronide
-
ME494762
-
-
4.0175
-
1-Naphthylmethanol glucuronide -4.159
-
ME496911
-
-
4.159
-
1-NBD-decanoyl-2-decanoyl-sn-Glycerol
-
ME496912
-
-
6.89
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene
-
ME491377
-
C14801
3.6852221
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene +3.904
-
ME493674
-
C14801
3.904
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene +4.375
-
ME494763
-
C14801
4.375
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene +4.496923...
-
ME490870
-
C14801
4.4969234
-
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosy...
-
ME496913
-
C19784
1.023
-
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosy...
-
ME494764
-
C19784
1.0945001
-
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosy...
-
ME496914
-
C19784
1.1
-
1-O-Feruloyl-?-D-glucose
-
ME496915
-
C17759
3.345
-
1-O-Feruloyl-?-D-glucose -3.416
-
ME494765
-
C17759
3.416
-
1-Oleoyl Lysophosphatidic Acid
-
ME496916
-
-
5.536
-
1-O-Methyl-myo-inositol
-
ME492988
-
C03659
1.00675
-
1-O-Methyl-myo-inositol -1.215
-
ME496917
-
C03659
1.215
-
1-O-Methyl-myo-inositol +4.585714
-
ME491790
-
C03659
4.585714
-
1-Phenyl-5-heptene-1,3-diyne
-
ME496918
-
C08457
1.406
-
1-Phenylbiguanide
-
ME496919
-
-
3.871
-
1-Phenylbiguanide +1.348
-
ME494766
-
-
1.348
-
1-Pyrroline
1-Pyrroline
ME492989
-
C15668
1.045
-
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME491543
-
-
11.81525
-
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid +...
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME496608
-
-
10.604
-
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid +...
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME494642
-
-
11.8175
-
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-...
-
ME493620
-
C05817
4.7893333
-
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-...
-
ME496610
-
C05817
3.414
-
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-...
-
ME496611
-
C05817
3.565
-
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-...
-
ME496609
-
C05817
4.979
-
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate
-
ME496612
-
C19831
3.273
-
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate ...
-
ME496613
-
C19831
1.123
-
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate ...
-
ME494643
-
C19831
1.6245
-
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate ...
-
ME496614
-
C19831
1.634
-
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalc...
-
ME496615
-
-
10.666
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME496616
-
-
6.127
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME496617
-
-
0.928
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME493621
-
-
11.009
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid -...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME491212
-
-
4.9524994
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME492053
-
-
5.206
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME494644
-
-
5.226
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid -...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME492431
-
-
5.3656
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid -...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME496618
-
-
5.7
-
(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclop...
-
ME496619
-
C19844
3.416
-
1-tert-Butoxy-2-propanol
-
ME496920
-
C19356
5.157
-
1-Tridecene-3,5,7,9,11-pentayne
1-Tridecene-3,5,7,9,11-pentayne
ME493675
-
C08464
6.324
-
1-Tridecene-3,5,7,9,11-pentayne +6.287
1-Tridecene-3,5,7,9,11-pentayne
ME496921
-
C08464
6.287
-
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna...
-
ME496987
-
C15340
4.38
-
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna...
-
ME494797
-
C15340
0.9375
-
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna...
-
ME494798
-
C15340
4.4110003
-
20-Dihydrodexamethasone
-
ME491794
-
-
8.645143
-
20-Dihydrodexamethasone -8.432501
-
ME494799
-
-
8.432501
-
20-Dihydrodexamethasone -8.57475
-
ME492996
-
-
8.57475
-
20?-Dihydroprednisolone
-
ME493690
-
-
3.8366668
-
20?-Dihydroprednisolone +10.292999
-
ME492995
-
-
10.292999
-
20?-Dihydroprogesterone glucuronide
-
ME496988
-
-
7.158
-
20-hydroxy-PGE2
20-Hydroxy-PGE2
ME494800
-
-
5.956
-
20-hydroxy-PGE2 -6.2907996
20-Hydroxy-PGE2
ME492469
-
-
6.2907996
-
20-hydroxy-PGE2 +6.304
20-Hydroxy-PGE2
ME496989
-
-
6.304
-
2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl...
-
ME492466
-
C15394
0.9632
-
2,2',3',4,4',5,5'-Heptachloro-3-biphenylol
-
ME496930
-
C15213
0.894
-
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyl...
-
ME492994
-
-
13.440499
-
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyl...
-
ME496985
-
-
13.442
-
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyl...
-
ME496986
-
-
4.977
-
2- (2,6-Dimethoxyphenoxyethyl)Aminomethyl-1,4-Benz...
-
ME496922
-
-
4.876
-
2- (2,6-Dimethoxyphenoxyethyl)Aminomethyl-1,4-Benz...
-
ME496923
-
-
4.389
-
2- (2,6-Dimethoxyphenoxyethyl)Aminomethyl-1,4-Benz...
-
ME493676
-
-
6.956
-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benz...
-
ME494774
-
C15061
8.440001
-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benz...
-
ME493681
-
C15061
6.2276664
-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benz...
-
ME496931
-
C15061
6.229
-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benz...
-
ME496932
-
C15061
7.479
-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benz...
-
ME496933
-
C15061
7.803
-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benz...
-
ME496934
-
C15061
8.414
-
2,2-Dichloro-1,1-ethanediol
-
ME490300
-
C14860
0.82925
-
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...
-
ME490760
-
C15050
10.368071
-
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...
-
ME494775
-
C15050
10.4035
-
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...
-
ME490871
-
C15050
10.442461
-
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...
-
ME496937
-
C15050
4.498
-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...
-
ME490301
-
C15027
10.135626
-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...
-
ME490302
-
C15027
10.2856245
-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...
-
ME496936
-
C15027
10.515
-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...
-
ME490630
-
C15027
10.5576
-
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benz...
-
ME492991
-
C15055
3.4175
-
2,2-Dimethyl Succinic acid
2,2-Dimethylsuccinic acid
ME492077
-
-
3.9573333
-
2,2-Dimethyl Succinic acid +3.216
2,2-Dimethylsuccinic acid
ME496935
-
-
3.216
-
2-[(2-methylphenyl)phenylmethoxy]-Ethanol
-
ME494796
-
-
6.135
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid
-
ME493622
-
-
7.197333
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -6...
-
ME493624
-
-
6.709
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +6...
-
ME496620
-
-
6.723
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -6...
-
ME492946
-
-
6.87875
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7...
-
ME492432
-
-
7.1828003
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7...
-
ME496621
-
-
7.21
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7...
-
ME491775
-
-
7.341857
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7...
-
ME492055
-
-
7.7631664
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7...
-
ME496622
-
-
7.783
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7...
-
ME493623
-
-
7.7833333
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7...
-
ME491087
-
-
7.8551817
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7...
-
ME494645
-
-
7.876
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +8...
-
ME492945
-
-
8.19375
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -8...
-
ME492433
-
-
8.1988
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +8...
-
ME494646
-
-
8.2215
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -8...
-
ME491776
-
-
8.754715
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +9...
-
ME492054
-
-
9.0485
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -9...
-
ME492056
-
-
9.061
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +9...
-
ME494647
-
-
9.0775
-
2,3,3-Triphenylacrylonitrile
-
ME496938
-
C14599
3.057
-
2,3,3-Triphenylacrylonitrile +3.239
-
ME496939
-
C14599
3.239
-
2,3,3-Triphenylacrylonitrile +3.664
-
ME496940
-
C14599
3.664
-
2,3,3-Triphenylacrylonitrile +5.05
-
ME496941
-
C14599
5.05
-
2,3,5-Trimethacarb
-
ME490872
-
C18957
3.0774615
-
2,3,5-Trimethacarb +0.756
-
ME496942
-
C18957
0.756
-
2,3,6-Trichlorobiphenyl
-
ME490631
-
C14359
0.80459994
-
2,3-di-0-hexanoyl-alpha-glucopyranose
-
ME496943
-
-
5.559
-
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedela...
-
ME496944
-
-
8.05
-
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedela...
-
ME494776
-
-
7.264
-
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedela...
-
ME493682
-
-
7.486
-
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedela...
-
ME496945
-
-
9.05
-
2,3-diamino-propionic acid
2,3-Diaminopropionic acid
ME496946
-
-
1.392
-
2,3-dihydro-2-oxo-1H-Benzimidazole-1-propanoic aci...
-
ME496947
-
-
4.037
-
2,3-Dihydroisogedunin
-
ME496948
-
-
6.632
-
2,3-Dihydroisogedunin -10.000999
-
ME494777
-
-
10.000999
-
2,3-dihydroxy-3-methylbutyric acid
(R)-2,3-Dihydroxy-isovalerate
ME496949
-
C04272
1.101
-
2,3-dihydroxy-3-methylbutyric acid +3.0215
(R)-2,3-Dihydroxy-isovalerate
ME494778
-
C04272
3.0215
-
2,3-Dihydroxy-6,7-Dichloroquinoxaline
-
ME490977
-
-
0.81333333
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid
-
ME494795
-
-
7.9455
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +12...
-
ME490633
-
-
12.757935
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +12...
-
ME490979
-
-
12.920082
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +7....
-
ME496980
-
-
7.587
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid -7....
-
ME496982
-
-
7.601
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid -8....
-
ME496983
-
-
8.471
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +8....
-
ME496981
-
-
8.473
-
2,3-Dihydroxynaphthalene
-
ME494779
-
C16213
1.3255
-
2,3-Dinor-6,15-diketo-13,14-dihydro-20-carboxyl-PG...
-
ME491791
-
-
4.946857
-
2,3-dinor, 6-keto-PGF1?
-
ME492078
-
-
10.6275
-
2,3-dinor, 6-keto-PGF1? +13.738501
-
ME494781
-
-
13.738501
-
2,3-Dinor-6-keto-prostaglandin F1 a
2,3-Dinor-6-keto-prostaglandin F1 alpha
ME491792
-
-
10.627428
-
2,3-Dinor-6-keto-prostaglandin F1 a +7.197
2,3-Dinor-6-keto-prostaglandin F1 alpha
ME496956
-
-
7.197
-
2,3-dinor Fluprostenol
-
ME496950
-
-
4.012
-
2,3-dinor Thromboxane B1
2,3-Dinor-TXB1
ME496951
-
-
9.351
-
2,3-dinor Thromboxane B1 +11.89
2,3-Dinor-TXB1
ME491556
-
-
11.89
-
2,3-dinor Thromboxane B1 +6.425
2,3-Dinor-TXB1
ME496952
-
-
6.425
-
2,3-dinor Thromboxane B1 -7.365
2,3-Dinor-TXB1
ME496955
-
-
7.365
-
2,3-dinor Thromboxane B1 +7.377
2,3-Dinor-TXB1
ME496953
-
-
7.377
-
2,3-dinor Thromboxane B1 -8.0655
2,3-Dinor-TXB1
ME494780
-
-
8.0655
-
2,3-dinor Thromboxane B1 +8.079
2,3-Dinor-TXB1
ME496954
-
-
8.079
-
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
-
ME496957
-
C15084
1.387
-
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile +4.411
-
ME496958
-
C15084
4.411
-
2(3H)-Furanone
-
ME492076
-
C17602
0.95049995
-
2(3H)-Furanone +1.397
-
ME493678
-
C17602
1.397
-
2(3H)-Furanone +1.625
-
ME496924
-
C17602
1.625
-
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME490296
-
C17214
9.000063
-
2-(3'-Methylthio)propylmalic acid +10.822501
2-(3-Methylthiopropyl)malic acid
ME490297
-
C17214
10.822501
-
2-(3'-Methylthio)propylmalic acid +11.922
2-(3-Methylthiopropyl)malic acid
ME490628
-
C17214
11.922
-
2-(3'-Methylthio)propylmalic acid +12.602812
2-(3-Methylthiopropyl)malic acid
ME490298
-
C17214
12.602812
-
2-(3'-Methylthio)propylmalic acid +13.1537
2-(3-Methylthiopropyl)malic acid
ME491220
-
C17214
13.1537
-
2-(3'-Methylthio)propylmalic acid +13.648602
2-(3-Methylthiopropyl)malic acid
ME490629
-
C17214
13.648602
-
23-nor-22-oxo-chol-5-en-3beta-ol
-
ME496990
-
-
12.178
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid
-
ME493625
-
-
8.150333
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -7...
-
ME494648
-
-
7.0405
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -7...
-
ME493626
-
-
7.3946667
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -8...
-
ME496623
-
-
8.748
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -8...
-
ME494649
-
-
8.9705
-
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-d...
-
ME496991
-
-
5.701
-
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluo...
-
ME494801
-
-
8.226
-
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluo...
-
ME496992
-
-
8.241
-
2,4,2',4'-Tetrahydroxychalcone
-
ME494782
-
-
1.2235
-
2,4,5-Trihydroxytoluene
-
ME494783
-
C18317
3.668
-
2,4,5-Trihydroxytoluene +3.289
-
ME496959
-
C18317
3.289
-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethy...
-
ME496960
-
-
3.457
-
2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihyd...
-
ME496961
-
-
3.433
-
2,4,6,8,10-dodecapentaenal
2,4,6,8,10-Dodecapentaenal
ME494784
-
-
3.3595
-
2,4,6,8,10-dodecapentaenal +1.08825
2,4,6,8,10-Dodecapentaenal
ME492992
-
-
1.08825
-
2,4,6,8,10-dodecapentaenal +3.288
2,4,6,8,10-Dodecapentaenal
ME494785
-
-
3.288
-
2,4,6,8-decatetraenal
2,4,6,8-Decatetraenal
ME496962
-
-
3.446
-
2,4,6,8-decatetraenal +3.399
2,4,6,8-Decatetraenal
ME496963
-
-
3.399
-
2,4.6-Trichloroanisole
1,3,5-Trichloro-2-methoxybenzene
ME490303
-
C11510
0.90812504
-
2,4,6-trimethyl-3,5-dinitrobenzonitrile
-
ME496964
-
-
3.408
-
2,4,6-Trimethylacetophenone imine
-
ME494786
-
-
3.0960002
-
2,4,6-Trimethylacetophenone imine +1.3295
-
ME494787
-
-
1.3295
-
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME493683
-
C19972
1.0983334
-
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME496965
-
C19972
1.229
-
2,4-Diamino-6,7-dimethoxyquinazoline
-
ME492467
-
-
1.6246
-
2,4-Diamino-6,7-dimethoxyquinazoline -1.3870001
-
ME494790
-
-
1.3870001
-
2,4-Diamino-6,7-dimethoxyquinazoline +1.403
-
ME496966
-
-
1.403
-
2,4-Diamino-6,7-dimethoxyquinazoline +1.565
-
ME496967
-
-
1.565
-
2,4-Diamino-6,7-dimethoxyquinazoline +1.6275
-
ME494788
-
-
1.6275
-
2,4-Diamino-6,7-dimethoxyquinazoline +3.1782498
-
ME492993
-
-
3.1782498
-
2,4-Diamino-6,7-dimethoxyquinazoline +3.183
-
ME496968
-
-
3.183
-
2,4-Diamino-6,7-dimethoxyquinazoline +3.3056
-
ME492468
-
-
3.3056
-
2,4-Diamino-6,7-dimethoxyquinazoline +3.991333
-
ME493684
-
-
3.991333
-
2,4-Diamino-6,7-dimethoxyquinazoline +4.067
-
ME494789
-
-
4.067
-
2,4-Diamino-6-hydroxylaminotoluene
-
ME496969
-
C16399
1.38
-
2,4-Diamino-6-hydroxylaminotoluene +1.382
-
ME493685
-
C16399
1.382
-
2,4-Diaminoanisole
-
ME493686
-
C19218
3.1526668
-
2,4-Diaminoanisole +3.832
-
ME496970
-
C19218
3.832
-
2,4-Dichloro-3-oxoadipate
-
ME492079
-
C18244
0.8306666
-
2,4-Dichloro-3-oxoadipate -0.83158326
-
ME490978
-
C18244
0.83158326
-
2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3''...
-
ME490632
-
-
12.4064665
-
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
-
ME492080
-
-
3.6858332
-
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone ...
-
ME491221
-
-
3.7923996
-
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone ...
-
ME493687
-
-
7.7899995
-
2,4'-Diphenyldiamine
-
ME496971
-
C19411
1.18
-
2,4-heptadienal
-
ME496972
-
-
4.492
-
24-Nor-5beta-chol-22-ene-3alpha,6alpha-diol
-
ME493691
-
-
10.59
-
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-p...
-
ME490980
-
-
12.294083
-
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-p...
-
ME496993
-
-
11.649
-
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha...
-
ME493692
-
-
12.375333
-
24-vinyloxy-cholest-5,23Z-dien-3beta-ol
-
ME496994
-
-
14.148
-
2,5,6-Trihydroxy-5,6-dihydroquinoline
-
ME494791
-
C06339
1.629
-
2,5-Diaminotoluene
-
ME496973
-
C19386
1.229
-
2,5-Diaminotoluene +1.229
-
ME496974
-
C19386
1.229
-
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME491379
-
C12835
0.88077784
-
2,5-Dichloro-4-oxohex-2-enedioate +0.8791429
2,5-Dichloro-4-oxohex-2-enedioate
ME491793
-
C12835
0.8791429
-
(+)-2,5-epi Goniothalesdiol
-
ME491086
-
-
6.567455
-
25-Hydroxyvitamin D2 25-(beta-glucuronide)
25-Hydroxyvitamin D2 25-(beta-glucuronide)
ME491222
-
C03033
9.4534
-
25-hydroxyvitamin D2 / 25-hydroxyergocalciferol
-
ME490304
-
-
14.049187
-
25-hydroxyvitamin D2 / 25-hydroxyergocalciferol +1...
-
ME494802
-
-
14.125999
-
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-chole...
-
ME494650
-
-
8.2215
-
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-chole...
-
ME493627
-
-
8.163333
-
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-chole...
-
ME493628
-
-
8.250667
-
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-chole...
-
ME496624
-
-
8.265
-
(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic...
-
ME492947
-
-
6.39175
-
(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic...
-
ME492434
-
-
6.4826
-
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15...
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol
ME490618
-
-
12.277534
-
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15...
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol
ME494651
-
-
12.354
-
2,5-Xylidine
-
ME494792
-
C18993
4.5415
-
2,5-Xylidine +4.17
-
ME496975
-
C18993
4.17
-
26:2(5Z,9Z)(24Me)
-
ME490305
-
-
14.082313
-
26,27-bisnor-22-dehydro-cholesterol
-
ME493693
-
-
8.632
-
26:6(8Z,11Z,14Z,17Z,20Z,23Z)
-
ME491093
-
-
13.735183
-
2,6-Diamino-4-nitrotoluene
-
ME496976
-
C16397
1.396
-
2,6-Diamino-7-hydroxy-azelaic acid
-
ME494793
-
C12025
1.1265
-
2,6-Dibromophenol
-
ME494794
-
C16247
0.8895
-
2,6-Dihydroxynicotinate
-
ME493688
-
C15523
0.9193333
-
2,6-Dimethoxyphenol
-
ME496977
-
C10787
3.373
-
2,6-Dimethoxyphenol +3.6943333
-
ME493689
-
C10787
3.6943333
-
2,6-Dimethoxyphenol +4.351
-
ME496978
-
C10787
4.351
-
2,6-Dimethoxyphenol +4.426
-
ME496979
-
C10787
4.426
-
26-Hydroxybrassinolide
-
ME494803
-
C19874
9.731001
-
26-Hydroxybrassinolide +9.8955
-
ME494804
-
C19874
9.8955
-
(+)-2,7-Dideoxypancratistatin
-
ME496586
-
C12256
3.595
-
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME494805
-
-
8.9115
-
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +8.912
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME496995
-
-
8.912
-
27-Norcholestanehexol
-
ME491223
-
-
13.4602995
-
2-(Acetamidomethylene)succinate
-
ME496925
-
C01215
0.937
-
2-(Acetamidomethylene)succinate -1.3665
-
ME494768
-
C01215
1.3665
-
2-(Acetamidomethylene)succinate +1.835
-
ME496926
-
C01215
1.835
-
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galact...
-
ME494769
-
-
1.384
-
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan...
-
ME496996
-
C15322
11.439
-
2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)ox...
-
ME493694
-
C15422
12.832667
-
2-Amino-1,2-bis(p-chlorophenyl)ethanol
-
ME492470
-
C15427
2.1139998
-
2-Amino-1,2-bis(p-chlorophenyl)ethanol -2.138
-
ME496997
-
C15427
2.138
-
2-Amino-1,2-bis(p-chlorophenyl)ethanol -2.1915
-
ME494806
-
C15427
2.1915
-
2-amino-14,16-dimethyloctadecan-3-ol
2-Amino-14,16-dimethyloctadecan-3-ol
ME493695
-
-
12.502
-
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
-
ME494807
-
C16038
5.3970003
-
2-Amino-2-deoxyisochorismate
-
ME494808
-
C18054
1.391
-
2-Amino-2-deoxyisochorismate +3.3806667
-
ME493696
-
C18054
3.3806667
-
2-Amino-2-methyl-1-propanol
-
ME496998
-
-
1.043
-
2-Amino-2-methylbutanoate
-
ME492081
-
C03571
1.2745
-
2-Amino-2-methylbutanoate -1.221
-
ME496999
-
C03571
1.221
-
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid
-
ME494809
-
C16850
1.3725
-
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid +...
-
ME492997
-
C16850
0.9409999
-
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid +...
-
ME497000
-
C16850
0.98
-
2-Amino-3-carboxymuconate semialdehyde
2-Amino-3-carboxymuconic acid semialdehyde
ME492471
-
C04409
0.8274
-
2-Amino-3-methyl-1-butanol
-
ME490306
-
-
0.96831256
-
2-Amino-3-methyl-1-butanol +1.394
-
ME497001
-
-
1.394
-
2-Amino-3-oxobutanoate
-
ME497002
-
C03214
1.349
-
2-amino-4-cyano-butanoic acid
-
ME494810
-
C05717
1.3594999
-
2-amino-4'-hydroxy-Propiophenone
-
ME490634
-
-
3.428
-
2-amino-4'-hydroxy-Propiophenone +1.261
-
ME497003
-
-
1.261
-
2-amino-4'-hydroxy-Propiophenone +1.397
-
ME492082
-
-
1.397
-
2-amino-4'-hydroxy-Propiophenone +3.274
-
ME497004
-
-
3.274
-
2-amino-4'-hydroxy-Propiophenone +3.3716667
-
ME493697
-
-
3.3716667
-
2-amino-4'-hydroxy-Propiophenone -3.4141874
-
ME490307
-
-
3.4141874
-
2-amino-4'-hydroxy-Propiophenone +4.582
-
ME497005
-
-
4.582
-
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquin...
-
ME494811
-
C05253
4.403
-
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7...
-
ME492083
-
-
6.4366665
-
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7...
-
ME491224
-
-
6.5264006
-
2-Amino-5-nitrobenzophenone
-
ME497006
-
-
4.18
-
2-Amino-5-oxohexanoate
-
ME492472
-
C05825
0.94519997
-
2-Amino-5-oxohexanoate -0.968
-
ME497009
-
C05825
0.968
-
2-Amino-5-oxohexanoate +1.0189091
-
ME491094
-
C05825
1.0189091
-
2-Amino-5-oxohexanoate -1.6156667
-
ME493698
-
C05825
1.6156667
-
2-Amino-5-oxohexanoate +2.9795
-
ME492998
-
C05825
2.9795
-
2-Amino-5-oxohexanoate +3.136
-
ME497007
-
C05825
3.136
-
2-Amino-5-oxohexanoate +3.2054286
-
ME491795
-
C05825
3.2054286
-
2-Amino-5-oxohexanoate +3.3771667
-
ME492084
-
C05825
3.3771667
-
2-Amino-5-oxohexanoate +3.466
-
ME497008
-
C05825
3.466
-
2-Amino-6-(benzylthio)purine
-
ME497010
-
C15279
4.141
-
2-amino-8-oxo-9,10-epoxy-decanoic acid
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME493699
-
C12027
1.2993335
-
2-amino-8-oxo-9,10-epoxy-decanoic acid +3.7764
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME492473
-
C12027
3.7764
-
2-amino-8-oxo-9,10-epoxy-decanoic acid +3.838
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME494812
-
C12027
3.838
-
2-amino-8-oxo-9,10-epoxy-decanoic acid +4.252
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME494813
-
C12027
4.252
-
2-amino-tetradecanoic acid
2-Aminotetradecanoic acid
ME497011
-
-
10.643
-
2-amino-tetradecanoic acid +10.1380005
2-Aminotetradecanoic acid
ME494814
-
-
10.1380005
-
2-amino-tetradecanoic acid +10.649285
2-Aminotetradecanoic acid
ME491796
-
-
10.649285
-
2-Benzimidazolinone, 1-(4-piperidyl)-
-
ME494815
-
-
1.617
-
2-Benzimidazolinone, 1-(4-piperidyl)- +5.5959997
-
ME494816
-
-
5.5959997
-
2-Benzimidazolylguanidine
-
ME497012
-
C10898
3.775
-
2-Benzimidazolylguanidine +1.316
-
ME497013
-
C10898
1.316
-
2-(beta-D-Glucosyl)-sn-glycerol
-
ME496927
-
C11546
1.152
-
2-Butanone, 4-(6-hydroxy-2-naphthalenyl)-
-
ME497014
-
-
2.029
-
2 -(Butylamido)-4-hydroxybutanoic acid
-
ME491378
-
C11843
3.289667
-
2 -(Butylamido)-4-hydroxybutanoic acid +1.0313749
-
ME491555
-
C11843
1.0313749
-
2 -(Butylamido)-4-hydroxybutanoic acid +3.6035
-
ME494767
-
C11843
3.6035
-
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone
-
ME492057
-
C15049
11.979833
-
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone +1...
-
ME496625
-
C15049
11.952
-
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone +1...
-
ME494652
-
C15049
11.98
-
2-carboxy-Pyrimidine
-
ME494817
-
-
3.17
-
2-Chloro-3-oxoadipate
-
ME491225
-
C12836
0.8125
-
2-Chloro-3-oxoadipate -0.9786667
-
ME493700
-
C12836
0.9786667
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME492085
-
C11434
0.9306667
-
2-Dehydro-3-deoxy-D-xylonate
-
ME497015
-
C03826
11.918
-
2-Dehydro-3-deoxy-L-rhamnonate
-
ME491226
-
C03979
0.9429
-
2-Dehydro-3-deoxy-L-rhamnonate -1.129
-
ME497016
-
C03979
1.129
-
2-Dehydro-3-deoxy-L-rhamnonate +1.17475
-
ME492999
-
C03979
1.17475
-
2-Dehydro-3-deoxy-L-rhamnonate -1.2393333
-
ME493701
-
C03979
1.2393333
-
2-Dehydro-3-deoxy-L-rhamnonate -1.3795455
-
ME491095
-
C03979
1.3795455
-
2-Dehydro-3-deoxy-L-rhamnonate +1.3991429
-
ME491797
-
C03979
1.3991429
-
2-Dehydro-3-deoxy-L-rhamnonate -1.619
-
ME493000
-
C03979
1.619
-
2-Dehydro-3-deoxy-L-rhamnonate +1.6197144
-
ME491798
-
C03979
1.6197144
-
2-Dehydro-3-deoxy-L-rhamnonate -1.65
-
ME497017
-
C03979
1.65
-
2-Dehydro-3-deoxy-L-rhamnonate -3.361
-
ME497018
-
C03979
3.361
-
2-Deoxy-2-dimethylamino-alpha-D-Glucose
-
ME494818
-
C12067
1.2195001
-
2-Deoxy-L-arabinose
-
ME494819
-
C02783
1.141
-
2'-Deoxymugineic acid
-
ME490981
-
C15485
1.0765833
-
2'-Deoxymugineic acid -1.064
-
ME497019
-
C15485
1.064
-
2'-Deoxymugineic acid -1.271
-
ME497020
-
C15485
1.271
-
2'-Deoxymugineic acid +1.2750714
-
ME490761
-
C15485
1.2750714
-
2'-Deoxymugineic acid -3.044
-
ME497021
-
C15485
3.044
-
2-Deoxy-scyllo-inosamine
-
ME493702
-
C17580
0.9303333
-
2-Deoxy-scyllo-inosamine +0.97728574
-
ME491799
-
C17580
0.97728574
-
2-Deoxy-scyllo-inosamine +1.1915
-
ME494820
-
C17580
1.1915
-
2-Deoxysepiapterin
-
ME492474
-
-
1.0142
-
2-Deoxystreptidine
2-Deoxystreptidine
ME497022
-
C02628
6.873
-
2'-Deoxyuridine
Deoxyuridine
ME497023
-
C00526
2.483
-
2'-Deoxyuridine -1.388
Deoxyuridine
ME497025
-
C00526
1.388
-
2'-Deoxyuridine -1.38975
Deoxyuridine
ME493001
-
C00526
1.38975
-
2'-Deoxyuridine -2.449
Deoxyuridine
ME497026
-
C00526
2.449
-
2'-Deoxyuridine -2.5096667
Deoxyuridine
ME493703
-
C00526
2.5096667
-
2'-Deoxyuridine +2.52
Deoxyuridine
ME497024
-
C00526
2.52
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME493002
-
C10916
1.86275
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.067
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME497027
-
C10916
1.067
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.0676...
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME493704
-
C10916
1.0676666
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.068
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME497028
-
C10916
1.068
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.3945
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME493003
-
C10916
1.3945
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.9165...
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME494821
-
C10916
1.9165001
-
2(?-D-Mannosyl)-D-glycerate
-
ME493677
-
C11544
2.7386668
-
2E,4E,8E,10E-Dodecatetraenedioic acid
-
ME490308
-
-
9.510126
-
2E,4E,8E,10E-Dodecatetraenedioic acid +8.458
-
ME497029
-
-
8.458
-
2E,4E-Hexadienyl acetate
-
ME492086
-
-
1.3948334
-
2E,8E-Undecadiene-4,6-diynoic acid
-
ME497030
-
-
0.973
-
2E,8E-Undecadiene-4,6-diynoic acid +1.1215
-
ME493004
-
-
1.1215
-
2E-hexenol
-
ME490309
-
-
1.3330001
-
2E-hexenol +0.788
-
ME494822
-
-
0.788
-
2E-hexenol +1.022
-
ME497031
-
-
1.022
-
2E-hexenol +1.5606154
-
ME490873
-
-
1.5606154
-
2E-hexenol +1.605
-
ME497032
-
-
1.605
-
2E-hexenol +2.9462729
-
ME491096
-
-
2.9462729
-
2E-hexenol +2.972
-
ME497033
-
-
2.972
-
2-Ethylacrylylcarnitine
-
ME497034
-
-
3.402
-
2-(ethylamino)-4'-hydroxy-Propiophenone
-
ME494770
-
-
4.118
-
2-(ethylamino)-4'-hydroxy-Propiophenone +1.2065
-
ME494771
-
-
1.2065
-
2-Ethylisonicotinamide
-
ME491800
-
-
1.6142857
-
2-Ethyltoluene
-
ME493705
-
C14572
5.194
-
2-Ethyltoluene +3.762
-
ME497035
-
C14572
3.762
-
2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxyl...
-
ME494823
-
C16482
0.9595
-
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine
-
ME496928
-
C04640
1.623
-
2-Formyloxymethylclavam
-
ME493706
-
C17356
1.3856667
-
2-Formyloxymethylclavam +1.393
-
ME497036
-
C17356
1.393
-
2-Formyloxymethylclavam -1.615
-
ME494825
-
C17356
1.615
-
2-Formyloxymethylclavam +1.634
-
ME494824
-
C17356
1.634
-
2-glyceryl-PGF2?
-
ME497037
-
-
6.863
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME497038
-
-
3.666
-
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chl...
-
ME497039
-
-
5.58
-
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chl...
-
ME497040
-
-
6.346
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo-
-
ME492475
-
-
1.6223999
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- +1.0816666
-
ME493707
-
-
1.0816666
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- -1.085
-
ME497042
-
-
1.085
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- +1.1303749
-
ME491557
-
-
1.1303749
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- -1.216
-
ME497043
-
-
1.216
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- -1.6303333
-
ME493708
-
-
1.6303333
-
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- +3.46
-
ME497041
-
-
3.46
-
2-Hexynoic acid, 6-hydroxy-
6-Hydroxy-2-hexynoic acid
ME490874
-
-
0.8362308
-
2-Hexynoic acid, 6-hydroxy- +0.92766666
6-Hydroxy-2-hexynoic acid
ME493709
-
-
0.92766666
-
2-Hexynoic acid, 6-hydroxy- +11.009538
6-Hydroxy-2-hexynoic acid
ME490875
-
-
11.009538
-
2-Hexynoic acid, 6-hydroxy- +1.632
6-Hydroxy-2-hexynoic acid
ME497044
-
-
1.632
-
2-Hexynoic acid, 6-hydroxy- +2.955
6-Hydroxy-2-hexynoic acid
ME497045
-
-
2.955
-
2-Hexynoic acid, 6-hydroxy- +3.121
6-Hydroxy-2-hexynoic acid
ME497046
-
-
3.121
-
2-Hexynoic acid, 6-hydroxy- -3.2995
6-Hydroxy-2-hexynoic acid
ME494826
-
-
3.2995
-
2-Hexynoic acid, 6-hydroxy- -4.215
6-Hydroxy-2-hexynoic acid
ME497047
-
-
4.215
-
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-met...
-
ME492476
-
-
4.0322003
-
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-met...
-
ME493710
-
-
3.2593334
-
2'-Hydroxy-2,4',6'-trimethoxychalcone
-
ME491801
-
-
10.593572
-
2'-Hydroxy-2,4',6'-trimethoxychalcone +10.595875
-
ME490310
-
-
10.595875
-
2'-Hydroxy-2,4',6'-trimethoxychalcone +10.615
-
ME497048
-
-
10.615
-
2'-Hydroxy-2,4',6'-trimethoxychalcone +10.6666
-
ME492477
-
-
10.6666
-
2-Hydroxy-2-hydropyrone-4,6-dicarboxylate
-
ME493711
-
C05375
0.963
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
-
ME493712
-
-
6.69
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +3.438
-
ME497049
-
-
3.438
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +5.9145
-
ME494827
-
-
5.9145
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME493005
-
C06581
1.38625
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME493713
-
C06581
1.6163334
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME497050
-
C06581
3.086
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME497051
-
C06581
3.115
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME493006
-
C06581
3.41425
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME492478
-
C06581
4.0612
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME492479
-
C06581
4.164
-
2-Hydroxy-3-carboxybenzalpyruvate
-
ME497052
-
C14095
2.104
-
2-Hydroxy-3-carboxybenzalpyruvate -2.137
-
ME497053
-
C14095
2.137
-
2-Hydroxy-3-carboxybenzalpyruvate -2.178
-
ME494828
-
C14095
2.178
-
2-hydroxy-4- (methylthio) butyric acid
2-Hydroxy-4-(methylthio)butanoic acid
ME493714
-
-
2.1656666
-
2-Hydroxy-5-methylquinone
-
ME492480
-
C18316
4.4206
-
2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate
-
ME493007
-
C08062
1.189
-
2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate...
-
ME497054
-
C08062
1.193
-
2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate...
-
ME497055
-
C08062
1.254
-
2-hydroxy-decanedioic acid
2-Hydroxy-decanedioic acid
ME493715
-
-
5.623333
-
2-hydroxy-decanedioic acid +5.992
2-Hydroxy-decanedioic acid
ME497056
-
-
5.992
-
2-Hydroxydesmethylimipramine glucuronide
-
ME497057
-
-
5.046
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME493716
-
-
4.4476666
-
2-Hydroxyethinylestradiol +3.848
2-Hydroxyethinylestradiol
ME497058
-
-
3.848
-
2-Hydroxyethinylestradiol +5.0263333
2-Hydroxyethinylestradiol
ME493717
-
-
5.0263333
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME490982
-
C16582
1.1263334
-
2-Hydroxyimipramine glucuronide
-
ME497059
-
-
5.298
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME494772
-
C04690
1.385
-
2-Hydroxymethylclavam
-
ME491558
-
C17357
3.133
-
2-Hydroxymethylclavam +0.99785715
-
ME491802
-
C17357
0.99785715
-
2-Hydroxymethylserine
-
ME492481
-
C03059
1.1948
-
2-Hydroxypyridine
2-Hydroxypyridine
ME492482
-
C02502
1.1444
-
2-Hydroxypyridine +1.1435
2-Hydroxypyridine
ME494829
-
C02502
1.1435
-
2-Hydroxypyridine +1.347
2-Hydroxypyridine
ME497060
-
C02502
1.347
-
2-Indanone oxime
-
ME493718
-
C14639
6.2783337
-
2-Indanone oxime -5.172
-
ME497061
-
C14639
5.172
-
2-Iodophenol
2-Iodophenol
ME490311
-
C01874
0.8828751
-
2-Iodophenol methyl ether
-
ME494830
-
C03575
0.8355
-
2-Iodophenol methyl ether +0.885
-
ME497062
-
C03575
0.885
-
2-Keto-3-deoxyoctonate (KDO)
-
ME493008
-
-
1.0002501
-
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro...
-
ME490299
-
C14714
0.870875
-
2-Methoxyestradiol-17? 3-sulfate
-
ME497063
-
C08359
6.295
-
2-Methoxyestradiol-17? 3-sulfate -5.388
-
ME497064
-
C08359
5.388
-
2?-methyl-1?,25-dihydroxyvitamin D3 / 2?-methyl-1?...
-
ME496984
-
-
9.078
-
2-Methyl-3-Hydroxyethylenepyran-4-One
-
ME497065
-
-
4.638
-
2methyl-3-ketovaleric acid
2-Methyl-3-ketovaleric acid
ME494831
-
-
0.958
-
2methyl-3-ketovaleric acid +1.041
2-Methyl-3-ketovaleric acid
ME494832
-
-
1.041
-
2methyl-3-ketovaleric acid +1.1388334
2-Methyl-3-ketovaleric acid
ME492087
-
-
1.1388334
-
2methyl-3-ketovaleric acid +1.144
2-Methyl-3-ketovaleric acid
ME494833
-
-
1.144
-
2methyl-3-ketovaleric acid +1.302
2-Methyl-3-ketovaleric acid
ME497066
-
-
1.302
-
2methyl-3-ketovaleric acid +1.3822
2-Methyl-3-ketovaleric acid
ME492483
-
-
1.3822
-
2methyl-3-ketovaleric acid +3.3515
2-Methyl-3-ketovaleric acid
ME494834
-
-
3.3515
-
2-methyl-3-oxo-propanoic acid
-
ME493009
-
-
1.387
-
2-methyl-3-oxo-propanoic acid -1.282
-
ME497067
-
-
1.282
-
2-methyl-3-Pyrimidin-2-yl-Propionic Acid
-
ME497068
-
-
4.332
-
2-methyl-3-Pyrimidin-2-yl-Propionic Acid +1.179
-
ME497069
-
-
1.179
-
2-methyl-3-Pyrimidin-2-yl-Propionic Acid +3.463
-
ME497070
-
-
3.463
-
2-Methyl-5-hydroxytryptamine
-
ME494835
-
C13665
3.4215
-
2-Methylbenzaldehyde
-
ME497071
-
C07214
2.688
-
2-Methylbenzaldehyde +1.222
-
ME497072
-
C07214
1.222
-
2-methylbutanal oxime
-
ME497073
-
C19491
0.84
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME492484
-
-
8.8468
-
2-Methylbutyroylcarnitine +9.005066
CAR 4:0;2Me
ME490635
-
-
9.005066
-
2-methyl-dodecanedioic acid
-
ME493719
-
-
8.854
-
2-methylene-4-oxo-pentanedioic acid
2-Methylene-4-oxopentanedioic acid
ME490876
-
-
0.9618463
-
2-methylene-4-oxo-pentanedioic acid -1.6615
2-Methylene-4-oxopentanedioic acid
ME494836
-
-
1.6615
-
2-methylene-4-oxo-pentanedioic acid -1.6930001
2-Methylene-4-oxopentanedioic acid
ME494837
-
-
1.6930001
-
2-Methylene-5-(2,5-dioxotetrahydrofuran-3-yl)-6-ox...
-
ME494838
-
-
3.5825
-
2-Methylerythritol
-
ME497074
-
-
1.402
-
2-Methylerythritol +1.197
-
ME497075
-
-
1.197
-
2-Methylpyridine
-
ME491559
-
C14447
1.062
-
2-Methylpyridine +3.658
-
ME497076
-
C14447
3.658
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME494839
-
-
8.9865
-
2-methyl-tridecanedioic acid -10.990562
2-Methyl-tridecanedioic acid
ME490313
-
-
10.990562
-
2-methyl-tridecanedioic acid +11.010625
2-Methyl-tridecanedioic acid
ME490312
-
-
11.010625
-
2-methyl-tridecanedioic acid +11.121
2-Methyl-tridecanedioic acid
ME497077
-
-
11.121
-
2-methyl-tridecanedioic acid +8.999667
2-Methyl-tridecanedioic acid
ME492088
-
-
8.999667
-
2-methyl-tridecanedioic acid -9.25
2-Methyl-tridecanedioic acid
ME497078
-
-
9.25
-
2-methyl-tridecanedioic acid -9.444
2-Methyl-tridecanedioic acid
ME497079
-
-
9.444
-
2-methyl-undecanoic acid
-
ME493720
-
-
12.079999
-
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine
N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine
ME497080
-
C06446
3.313
-
2'-N-Acetylparomamine
-
ME497081
-
C17582
1.404
-
2'-N-Acetylparomamine +1.402
-
ME497082
-
C17582
1.402
-
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrog...
-
ME494840
-
-
1.3245001
-
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrog...
-
ME497083
-
-
1.069
-
2-Naphthalenesulfonic acid
-
ME490877
-
C16202
5.224615
-
2-Naphthalenesulfonic acid -5.204
-
ME497084
-
C16202
5.204
-
2-Naphthylalanine
-
ME493010
-
-
3.9627502
-
2-Naphthylalanine +3.369
-
ME497085
-
-
3.369
-
2-Nitrofuran
2-Nitrofuran
ME491560
-
C14414
0.96237504
-
2-(N-morpholino)ethanesulfonic acid
2-(N-Morpholino)ethanesulfonic acid
ME494773
-
-
1.2509999
-
2-(N-morpholino)ethanesulfonic acid -2.066
2-(N-Morpholino)ethanesulfonic acid
ME493679
-
-
2.066
-
2-(N-morpholino)ethanesulfonic acid -2.18775
2-(N-Morpholino)ethanesulfonic acid
ME492990
-
-
2.18775
-
2-(N-morpholino)ethanesulfonic acid -2.6803334
2-(N-Morpholino)ethanesulfonic acid
ME493680
-
-
2.6803334
-
2-O-Acetylpseudolycorine
-
ME492089
-
C12237
3.768
-
2-O-Acetylpseudolycorine +3.643
-
ME497086
-
C12237
3.643
-
2-O-a-L-Fucopyranosyl-galactose
-
ME493721
-
-
1.154
-
2-Oxazolidinone
-
ME494841
-
C06695
0.90999997
-
2-Oxo-4-hydroxy-5-aminovalerate
-
ME490314
-
C05941
0.9383124
-
2-Oxo-4-methylthiobutanoic acid
2-Oxo-4-methylthiobutanoic acid
ME491227
-
C01180
0.9728001
-
2-Oxo-4-methylthiobutanoic acid +1.039
2-Oxo-4-methylthiobutanoic acid
ME494842
-
C01180
1.039
-
2-Oxo-4-methylthiobutanoic acid -1.621
2-Oxo-4-methylthiobutanoic acid
ME494843
-
C01180
1.621
-
2-Oxo-6-methylthiohexanoic acid
-
ME497087
-
C17216
0.981
-
2-Oxo-6-methylthiohexanoic acid +0.99
-
ME497088
-
C17216
0.99
-
2-Oxo-6-methylthiohexanoic acid +1.354
-
ME497089
-
C17216
1.354
-
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME497090
-
C17220
1.406
-
2-Oxo-8-methylthiooctanoic acid
-
ME497091
-
C17224
1.473
-
2-oxo-docosanoic acid
-
ME494844
-
-
12.3755
-
2-oxo-docosanoic acid +7.677
-
ME497092
-
-
7.677
-
2-oxo-dodecanoic acid
-
ME491380
-
-
8.873555
-
2-oxo-dodecanoic acid +5.554
-
ME497093
-
-
5.554
-
2-oxo-dodecanoic acid +6.842
-
ME497094
-
-
6.842
-
2-oxo-heneicosanoic acid
-
ME497095
-
-
13.602
-
2-oxo-octadecanoic acid
2-Oxo-octadecanoic acid
ME490762
-
C00869
11.673072
-
2-oxo-octadecanoic acid -11.7202
2-Oxo-octadecanoic acid
ME492485
-
C00869
11.7202
-
2-oxo-octadecanoic acid -12.188801
2-Oxo-octadecanoic acid
ME492486
-
C00869
12.188801
-
2-oxo-octadecanoic acid -12.331188
2-Oxo-octadecanoic acid
ME490315
-
C00869
12.331188
-
2-oxo-octadecanoic acid -12.407154
2-Oxo-octadecanoic acid
ME490878
-
C00869
12.407154
-
2-Oxosuberate
-
ME494845
-
C16589
3.189
-
2-Oxosuberate +1.099
-
ME497096
-
C16589
1.099
-
2-Oxosuberate -1.385
-
ME497099
-
C16589
1.385
-
2-Oxosuberate -1.616
-
ME497100
-
C16589
1.616
-
2-Oxosuberate +1.629
-
ME497097
-
C16589
1.629
-
2-Oxosuberate +3.4585
-
ME494846
-
C16589
3.4585
-
2-Oxosuberate +3.993
-
ME497098
-
C16589
3.993
-
2-Oxosuccinamate
2-Oxosuccinamic acid
ME490636
-
C02362
0.9619333
-
2-Phenylbutyrolactone
-
ME491561
-
-
8.306
-
2-Phenylbutyrolactone +11.496
-
ME497101
-
-
11.496
-
2-Phenylbutyrolactone +3.335
-
ME497102
-
-
3.335
-
2-Phenylbutyrolactone +5.028
-
ME497103
-
-
5.028
-
2-Phenylbutyrolactone +8.422928
-
ME490763
-
-
8.422928
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME497104
-
-
1.63
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME497105
-
-
1.397
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME497106
-
-
3.004
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME497107
-
-
3.038
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME494847
-
-
3.048
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME491381
-
-
3.101
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME497108
-
-
3.472
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME494848
-
-
4.3225
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME497109
-
-
5.109
-
2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitril...
-
ME496929
-
C14936
5.716
-
2-Propylmalate
-
ME497110
-
C05994
1.377
-
2-propyl-tridecanoic acid
2-Propyl-tridecanoic acid
ME490316
-
-
13.428312
-
2-Propynal
2-Propyn-1-al
ME497111
-
C05985
1.397
-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...
-
ME494849
-
C11571
3.901
-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...
-
ME497112
-
C11571
1.621
-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...
-
ME494850
-
C11571
3.1
-
2-Pyridylethanol
-
ME497114
-
-
1.674
-
2-Pyridyl hydroxymethane sulfonic acid
2-Pyridyl hydroxymethane sulfonic acid
ME491562
-
C11327
1.27525
-
2-Pyridyl hydroxymethane sulfonic acid -1.217
2-Pyridyl hydroxymethane sulfonic acid
ME497113
-
C11327
1.217
-
2-Pyrrolidinone, 4-(2-morpholinoethyl)-3,3-dipheny...
-
ME497115
-
-
3.17
-
(2R)-2-Hydroxy-2-methylbutanenitrile
2-Hydroxy-2-methylbutanenitrile
ME492435
-
C18796
0.97679996
-
(2R)-2-Hydroxy-2-methylbutanenitrile +1.013
2-Hydroxy-2-methylbutanenitrile
ME496626
-
C18796
1.013
-
(2R)-2-Hydroxy-2-methylbutanenitrile +1.0933334
2-Hydroxy-2-methylbutanenitrile
ME491370
-
C18796
1.0933334
-
(2R)-2-Hydroxy-2-methylbutanenitrile +3.5947497
2-Hydroxy-2-methylbutanenitrile
ME490275
-
C18796
3.5947497
-
(2R)-2-Hydroxy-2-methylbutanenitrile +4.152
2-Hydroxy-2-methylbutanenitrile
ME494653
-
C18796
4.152
-
(2R,4R)-2-phenylthiazolidine-4-carboxylic acid
-
ME490865
-
-
6.273769
-
(2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-...
-
ME496628
-
-
5.647
-
(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiaz...
-
ME493630
-
-
4.464667
-
(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiaz...
-
ME493631
-
-
5.1213336
-
(2R,4S)-2,4-Diaminopentanoate
-
ME496629
-
C03943
0.951
-
(2R,4S)-2,4-Diaminopentanoate +0.8775
-
ME494655
-
C03943
0.8775
-
(2R,4S)-2,4-Diaminopentanoate +1.6775
-
ME494656
-
C03943
1.6775
-
(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone
-
ME491544
-
-
6.145
-
(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone -5.588
-
ME493629
-
-
5.588
-
(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone -5.8082...
-
ME492948
-
-
5.8082504
-
(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone -6.259
-
ME496627
-
-
6.259
-
(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone -6.953
-
ME492949
-
-
6.953
-
2R-aminoheptanoic acid
2R-Aminoheptanoic acid
ME490637
-
-
1.4066669
-
2R-aminoheptanoic acid +0.95
2R-Aminoheptanoic acid
ME497116
-
-
0.95
-
2R-aminoheptanoic acid +1.5124286
2R-Aminoheptanoic acid
ME491803
-
-
1.5124286
-
2R-aminoheptanoic acid +1.54
2R-Aminoheptanoic acid
ME493722
-
-
1.54
-
2R-aminoheptanoic acid +1.6209999
2R-Aminoheptanoic acid
ME492487
-
-
1.6209999
-
2R-aminoheptanoic acid +3.6745
2R-Aminoheptanoic acid
ME494851
-
-
3.6745
-
(2R)-O-Phospho-3-sulfolactate
-
ME494654
-
C11536
0.861
-
(2S)-2-Phospholactate
-
ME491545
-
C19156
5.190625
-
(2S,2'S)-Oscillol 2,2'-di(?-L-fucoside)
-
ME496632
-
C16275
11.743
-
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic aci...
-
ME494658
-
C04655
3.7735
-
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic aci...
-
ME496633
-
C04655
5.332
-
(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan
-
ME491371
-
-
5.991778
-
(2S)-5,6,7,8,4'-Pentamethoxyflavanone
-
ME496630
-
-
1.393
-
(2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-couma...
-
ME496631
-
-
5.176
-
(2S,5S)-trans-Carboxymethylproline
-
ME493632
-
C17366
1.0559999
-
(2S,5S)-trans-Carboxymethylproline +1.3425
-
ME494659
-
C17366
1.3425
-
(2S,5S)-trans-Carboxymethylproline -1.3878
-
ME491213
-
C17366
1.3878
-
(2S,5S)-trans-Carboxymethylproline +1.388
-
ME496634
-
C17366
1.388
-
(2S,5S)-trans-Carboxymethylproline +1.4008888
-
ME491372
-
C17366
1.4008888
-
(2S,5S)-trans-Carboxymethylproline +1.571
-
ME492950
-
C17366
1.571
-
2S-aminoheptanoic acid
2S-Aminoheptanoic acid
ME494852
-
-
1.14
-
(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-?-L-fucoside)
-
ME494657
-
C15935
10.604
-
2-Succinylbenzoate
-
ME497117
-
C02730
1.818
-
2-tridecenal
-
ME497118
-
-
10.611
-
2-undecenal
-
ME497119
-
-
8.504
-
3?,11-Dihydroxy-12-oxo-5?-chol-9(11)-en-24-oic Aci...
-
ME497148
-
-
12.921
-
3?,11-Dihydroxy-12-oxo-5?-chol-9(11)-en-24-oic Aci...
-
ME497149
-
-
12.755
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid
-
ME497147
-
-
7.101
-
3?,12?-Dihydroxy-5?-chol-14-en-24-oic Acid
-
ME491383
-
-
10.119778
-
3?,12?-Dihydroxy-5?-chol-14-en-24-oic Acid -10.603...
-
ME490317
-
-
10.603313
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid
-
ME493727
-
C11637
6.7293334
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +10.118
-
ME497150
-
C11637
10.118
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +10.6228...
-
ME490983
-
C11637
10.622834
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +13.4415
-
ME493014
-
C11637
13.4415
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +13.735
-
ME497151
-
C11637
13.735
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +14.0494...
-
ME490318
-
C11637
14.0494995
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +14.127
-
ME493728
-
C11637
14.127
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +6.921
-
ME494868
-
C11637
6.921
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +7.78325...
-
ME493015
-
C11637
7.7832503
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.1107
-
ME491229
-
C11637
9.1107
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.37187...
-
ME491563
-
C11637
9.371876
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.37931...
-
ME490319
-
C11637
9.3793125
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.55674...
-
ME493016
-
C11637
9.556749
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.70799...
-
ME492096
-
C11637
9.707999
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.72733...
-
ME492095
-
C11637
9.727333
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.87628...
-
ME490765
-
C11637
9.8762865
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.89412...
-
ME490320
-
C11637
9.894125
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +10.414666
-
ME493729
-
-
10.414666
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -10.42025
-
ME491564
-
-
10.42025
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -10.5893755
-
ME490321
-
-
10.5893755
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +10.608428
-
ME491806
-
-
10.608428
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -8.99525
-
ME493017
-
-
8.99525
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.263
-
ME490879
-
-
9.263
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.658465
-
ME490639
-
-
9.658465
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.662
-
ME497153
-
-
9.662
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +9.691999
-
ME491807
-
-
9.691999
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.709938
-
ME490322
-
-
9.709938
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +9.738
-
ME497152
-
-
9.738
-
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid
-
ME493018
-
-
10.017
-
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +1...
-
ME497154
-
-
10.043
-
3,16-Dideoxymexicanolide-3?-Diol
-
ME492488
-
-
7.3232
-
3-(1-Carboxyvinyloxy)anthranilate
-
ME494853
-
C19686
3.2925
-
3-(1-Carboxyvinyloxy)anthranilate +4.124
-
ME497120
-
C19686
4.124
-
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-...
-
ME494854
-
C14915
8.3525
-
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-...
-
ME493723
-
C14915
10.608666
-
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-...
-
ME494855
-
C14915
13.3375
-
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-...
-
ME494856
-
C14915
13.4705
-
3-(2'-Methylthio)ethylmalic acid
-
ME497121
-
C17212
3.23
-
3-(3,4-Dihydroxyphenyl)lactate
-
ME497122
-
C01207
3.195
-
3-(3,4-Dihydroxyphenyl)lactate -3.948
-
ME494857
-
C01207
3.948
-
3-(3,4-Dihydroxyphenyl)pyruvate
-
ME493011
-
C04045
0.93874997
-
3,3-Bis(4-hydroxyphenyl)pentane
-
ME497128
-
C15206
3.3
-
3,3-Bis(4-hydroxyphenyl)pentane +3.656
-
ME497129
-
C15206
3.656
-
3,3'-Dichloro-4,4'-diaminodiphenyl ether
-
ME494859
-
C19226
3.2624998
-
3,3'-Dimethoxybenzidine
-
ME497130
-
C19231
6.7
-
3,3'-Dimethylbenzidine
-
ME494860
-
C14443
6.164
-
3,3-Dimethyl-butanoic acid
-
ME497131
-
-
5.03
-
3-(3'-Methylthio)propylmalic acid
-
ME491382
-
C17215
14.253333
-
3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcon...
-
ME497132
-
-
3.742
-
3-(4-Chlorophenyl)-2H-1-benzopyran-2-one
-
ME497123
-
C15189
0.941
-
3,4-Dihydroxy-3,4-dihydro-9-fluorenone
3,4-Dihydroxy-3,4-dihydro-9-fluorenone
ME497133
-
C07722
5.809
-
3,4-Dihydroxyrottlerin
-
ME497134
-
-
6.931
-
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME492091
-
-
7.3418336
-
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-met...
-
ME492092
-
C19417
0.9815001
-
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-met...
-
ME491228
-
C19417
10.5005
-
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-met...
-
ME490638
-
C19417
11.010135
-
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-met...
-
ME497135
-
C19417
11.105
-
3-(4'-Methylthio)butylmalic acid
-
ME491804
-
C17219
1.6247143
-
3,5-Dichloro-2-methylmuconolactone
-
ME497136
-
C18308
0.841
-
3,5-dichlorosalicylic acid
3,5-Dichlorosalicylicacid
ME493724
-
-
0.83733326
-
3,5-dichlorosalicylic acid +0.839
3,5-Dichlorosalicylicacid
ME494861
-
-
0.839
-
3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenediox...
-
ME497137
-
-
3.261
-
3,5-Dimethoxyallylbenzene
-
ME491805
-
C17782
5.387429
-
3,5-Dinitroguaiacol
-
ME497138
-
C17101
6.876
-
3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
-
ME497139
-
-
1.629
-
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dim...
-
ME497140
-
-
3.416
-
3?,5?-Tetrahydronorethindrone glucuronide
-
ME494869
-
-
7.1375
-
3?,5?-Tetrahydronorethindrone glucuronide -7.1305
-
ME494870
-
-
7.1305
-
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid
-
ME497155
-
-
13.079
-
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid -7...
-
ME497156
-
-
7.139
-
3,6,8-Trimethylallantoin
-
ME494862
-
C16362
2.475
-
3,6,8-Trimethylallantoin +2.513
-
ME497141
-
C16362
2.513
-
3,6,8-Trimethylallantoin +3.46
-
ME497142
-
C16362
3.46
-
3,6-Dideoxy-L-galactose
-
ME493725
-
C03348
0.9323333
-
3,6-Dideoxy-L-galactose -3.166
-
ME494863
-
C03348
3.166
-
3,6-dioxo-decanoic acid
3,6-Dioxo-decanoic acid
ME492489
-
-
4.6882
-
3,6-dioxo-decanoic acid +1.399
3,6-Dioxo-decanoic acid
ME494864
-
-
1.399
-
3,6-dioxo-decanoic acid +3.1081667
3,6-Dioxo-decanoic acid
ME492093
-
-
3.1081667
-
3,6-dioxo-decanoic acid +3.1858
3,6-Dioxo-decanoic acid
ME492490
-
-
3.1858
-
3,6-dioxo-decanoic acid +4.007
3,6-Dioxo-decanoic acid
ME497143
-
-
4.007
-
3,6-dioxo-decanoic acid -6.607
3,6-Dioxo-decanoic acid
ME497144
-
-
6.607
-
3,6-dioxo-decanoic acid +6.6210003
3,6-Dioxo-decanoic acid
ME494865
-
-
6.6210003
-
3-(6'-Methylthio)hexylmalic acid
-
ME490764
-
C17227
1.1977142
-
(+)-3,7(11)-Acoradiene
-
ME496587
-
-
10.614
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid
-
ME492491
-
-
7.1400003
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -6....
-
ME497162
-
-
6.845
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +6....
-
ME497157
-
-
6.852
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7....
-
ME493732
-
-
7.1183333
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME497158
-
-
7.214
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7....
-
ME497163
-
-
7.36
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME497159
-
-
7.381
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7....
-
ME491384
-
-
7.463222
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME491808
-
-
7.4744287
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME494871
-
-
7.7910004
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7....
-
ME497164
-
-
7.794
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7....
-
ME497165
-
-
7.796
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME492492
-
-
7.8082
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7....
-
ME492097
-
-
7.858167
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME493019
-
-
7.87575
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7....
-
ME497160
-
-
7.918
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8....
-
ME497166
-
-
8.187
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8....
-
ME497161
-
-
8.254
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8....
-
ME492098
-
-
8.398167
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8....
-
ME493733
-
-
8.404667
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8....
-
ME493730
-
-
8.414333
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8....
-
ME493731
-
-
8.418333
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8....
-
ME493020
-
-
8.462999
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8....
-
ME497167
-
-
8.94
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -9....
-
ME493734
-
-
9.009
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +9....
-
ME494872
-
-
9.029
-
3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid
-
ME494873
-
-
6.918
-
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid
-
ME494866
-
-
7.3475
-
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid -7.724
-
ME497145
-
-
7.724
-
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid -7.9282503
-
ME493013
-
-
7.9282503
-
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid -7.979
-
ME497146
-
-
7.979
-
3,7,12-Trioxochola-1,4-dien-24-oic Acid
-
ME493726
-
-
12.734001
-
3,7-Dimethyl-2Z,6-octadienyl acetate
Geranyl acetate
ME492094
-
-
9.891334
-
3,7-Dimethyl-8,11-dioxo-2E,6E,9E-dodecatrienal
-
ME494867
-
-
3.0785
-
(3a,5b,7b,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-i...
-
ME496635
-
-
3.446
-
3-Acetamidopropanal
Acetamidopropanal
ME491809
-
C18170
0.88828576
-
3-Acetamidopropanal +1.045
Acetamidopropanal
ME490324
-
C18170
1.045
-
3-Acetamidopropanal +1.3972857
Acetamidopropanal
ME490768
-
C18170
1.3972857
-
3-Acetamidopropanal +1.5724286
Acetamidopropanal
ME491810
-
C18170
1.5724286
-
3-Acetamidopropanal +1.7176666
Acetamidopropanal
ME490984
-
C18170
1.7176666
-
3-Acetamidopropanal +1.7515
Acetamidopropanal
ME494878
-
C18170
1.7515
-
3-Acetamidopropanal +1.8041
Acetamidopropanal
ME491230
-
C18170
1.8041
-
3-Acetamidopropanal +2.331
Acetamidopropanal
ME497177
-
C18170
2.331
-
3?-Acetoxydeoxodihydrogedunin
-
ME493735
-
-
8.704667
-
3?-Acetoxydeoxodihydrogedunin -6.337
-
ME497168
-
-
6.337
-
3?-Acetoxydeoxyangolensic Acid, Methyl Ester
-
ME494874
-
-
7.3555
-
3-Acetylnerbowdine
3-Acetylnerbowdine
ME497178
-
C08514
4.172
-
3alpha,11-Dihydroxy-12-oxo-5beta-chol-9(11)-en-24-...
-
ME497179
-
-
8.423
-
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diac...
-
ME492493
-
C15272
9.9944
-
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diac...
-
ME497180
-
C15272
7.181
-
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diac...
-
ME497181
-
C15272
9.231
-
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucu...
-
ME497182
-
C03033
5.782
-
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acid
ME497183
-
-
7.217
-
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acid
ME497184
-
-
8.125
-
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-c...
-
ME497185
-
-
9.549
-
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5b...
-
ME491385
-
-
6.2831116
-
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5b...
-
ME493741
-
-
6.3320003
-
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholest...
-
ME497186
-
-
9.241
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME497187
-
-
6.653
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME497188
-
-
6.66
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME497189
-
-
7.139
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME497190
-
-
8.143
-
3-Aminobenzamide
3-Aminobenzamide
ME494879
-
-
1.0085
-
3-Amino-L-Tyrosine
-
ME494880
-
-
2.38
-
3-Amino-L-Tyrosine +2.412
-
ME497191
-
-
2.412
-
3-Amino-L-Tyrosine +2.4759998
-
ME494881
-
-
2.4759998
-
3-Amino-L-Tyrosine +2.477
-
ME497192
-
-
2.477
-
3-Amino-L-Tyrosine +4.00475
-
ME493024
-
-
4.00475
-
3-Amino-L-Tyrosine +4.35
-
ME497193
-
-
4.35
-
3-Aminopropanesulphonic Acid
Cerebril
ME493742
-
C03349
1.3866667
-
3-Aminoquinoline
3-Aminoquinoline
ME497194
-
-
1.635
-
3-Aminoquinoline +12.6012
3-Aminoquinoline
ME492494
-
-
12.6012
-
3-Aza-A-homocholest-4a-en-4-one
-
ME493743
-
C15251
8.565333
-
3b,16a-Dihydroxyandrostenone sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME493025
-
-
6.2265
-
3b,16a-Dihydroxyandrostenone sulfate -5.864
3beta,16alpha-Dihydroxyandrostenone sulfate
ME497195
-
-
5.864
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME497196
-
-
9.379
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME497197
-
-
9.001
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME497198
-
-
9.228
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME497199
-
-
9.657
-
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole
-
ME497200
-
C11107
0.951
-
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone
-
ME497201
-
-
1.873
-
3-Buten-1-amine
3-Buten-1-amine
ME497202
-
C12244
0.817
-
3-Buten-1-amine +0.895
3-Buten-1-amine
ME494882
-
C12244
0.895
-
3-Buten-1-amine +1.036889
3-Buten-1-amine
ME491386
-
C12244
1.036889
-
3-Buten-1-amine +1.038
3-Buten-1-amine
ME493744
-
C12244
1.038
-
3-Buten-1-amine +1.2847999
3-Buten-1-amine
ME492495
-
C12244
1.2847999
-
3-Buten-1-amine +1.334
3-Buten-1-amine
ME497203
-
C12244
1.334
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME490325
-
C09921
11.82025
-
3-Butylidene-7-hydroxyphthalide +1.0815
Phthalide
ME494883
-
C09921
1.0815
-
3-Butylidene-7-hydroxyphthalide +11.9375
Phthalide
ME494884
-
C09921
11.9375
-
3-Butylidene-7-hydroxyphthalide +11.980751
Phthalide
ME490326
-
C09921
11.980751
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME494885
-
-
5.1925
-
3-Chloro-2-hydroxymuconic semialdehyde
-
ME492101
-
C16266
0.84533334
-
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME490769
-
C19205
0.88499993
-
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME494886
-
C19205
0.8845
-
3-Chlorophenol
3-Chlorophenol
ME497204
-
C14270
0.842
-
3-cis-Hydroxyglipizide
-
ME497205
-
-
3.252
-
3-cis-Hydroxyglipizide -3.276
-
ME494887
-
-
3.276
-
3-cis-Hydroxyglipizide -3.3811996
-
ME492496
-
-
3.3811996
-
3-cis-Hydroxyglipizide -3.454
-
ME492497
-
-
3.454
-
3-cis-Hydroxyglipizide -3.581
-
ME497206
-
-
3.581
-
3-Deazaneplanocin A
-
ME492498
-
-
1.4058001
-
3-Deazaneplanocin A +1.1705
-
ME494888
-
-
1.1705
-
3-Deazaneplanocin A +1.294
-
ME493745
-
-
1.294
-
3-Deazaneplanocin A +1.356
-
ME497207
-
-
1.356
-
3-Deazaneplanocin A +1.3970999
-
ME491231
-
-
1.3970999
-
3-Dehydrocarnitine
3-Dehydrocarnitine
ME492102
-
C02636
0.9921667
-
3-Dehydrocarnitine +1.0832727
3-Dehydrocarnitine
ME491098
-
C02636
1.0832727
-
3-Dehydrocarnitine +3.0684664
3-Dehydrocarnitine
ME490640
-
C02636
3.0684664
-
3-Dehydrocarnitine +3.5965626
3-Dehydrocarnitine
ME490327
-
C02636
3.5965626
-
3-Dehydrocarnitine +3.9348333
3-Dehydrocarnitine
ME492103
-
C02636
3.9348333
-
3-Dehydrocarnitine +4.2675
3-Dehydrocarnitine
ME494889
-
C02636
4.2675
-
3-Dehydrocarnitine +4.459
3-Dehydrocarnitine
ME497208
-
C02636
4.459
-
3-Deoxyestradiol
3-Deoxyestradiol
ME497209
-
C14239
4.82
-
3-Deoxyguanosine
-
ME491811
-
-
3.096143
-
3-Deoxyguanosine -3.082
-
ME493026
-
-
3.082
-
3'-Deoxystreptomycin 6,3''-bis-phosphate
-
ME490641
-
C04660
14.251132
-
3-Dimethylallyl-4-hydroxymandelic acid
-
ME493746
-
C12457
7.1056666
-
3-Dimethylallyl-4-hydroxymandelic acid -6.972
-
ME497210
-
C12457
6.972
-
3-Epihydroxymugineic acid
-
ME497211
-
C15501
0.965
-
3-Epihydroxymugineic acid -3.674
-
ME497212
-
C15501
3.674
-
3-Epihydroxymugineic acid +3.8194
-
ME492499
-
C15501
3.8194
-
3E-tetradecenoic acid
-
ME493027
-
-
10.161
-
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxyl...
-
ME494890
-
C16478
5.0255
-
3-Furoic acid
3-Furoic acid
ME497213
-
-
1.398
-
3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydroc...
-
ME494891
-
-
6.7615004
-
3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydroc...
-
ME497214
-
-
6.076
-
3-Guanidinopropanoate
3-Guanidinopropanoic acid
ME497215
-
C03065
1.019
-
3-Gymnomitren-15-al
-
ME497216
-
-
2.475
-
3-hexenedial
-
ME497217
-
-
1.399
-
3-hexenedial +1.613
-
ME497218
-
-
1.613
-
3-hexenedial +3.263
-
ME497219
-
-
3.263
-
3-hexenedial +3.991
-
ME494892
-
-
3.991
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid
-
ME493736
-
-
7.8733335
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +10.012...
-
ME490766
-
-
10.012644
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +7.4883...
-
ME493737
-
-
7.488333
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +8.4146...
-
ME493738
-
-
8.414666
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +9.644
-
ME497169
-
-
9.644
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +9.7155
-
ME494875
-
-
9.7155
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid -9.721
-
ME497170
-
-
9.721
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid -9.9938...
-
ME491097
-
-
9.993818
-
3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
-
ME497220
-
C15277
5.673
-
3-Hydroxy-1-indanone
-
ME492104
-
C07720
3.4290001
-
3-Hydroxy-1-indanone +10.597
-
ME490328
-
C07720
10.597
-
3-Hydroxy-1-indanone +5.62
-
ME497221
-
C07720
5.62
-
3-Hydroxy-1-indanone +6.8403754
-
ME490329
-
C07720
6.8403754
-
3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one
-
ME493747
-
C15308
4.7026668
-
3-Hydroxy-2-methyl-1H-quinolin-4-one
-
ME493748
-
C11504
6.454333
-
3-hydroxy-3-methyl-2-oxo-pentanoic acid
-
ME490330
-
C04237
11.010188
-
3-hydroxy-3-methyl-2-oxo-pentanoic acid -3.9445999
-
ME492500
-
C04237
3.9445999
-
3-hydroxy-3-methyl-2-oxo-pentanoic acid -4.099
-
ME497222
-
C04237
4.099
-
3-hydroxy-3-methyl-2-oxo-pentanoic acid -4.482
-
ME497223
-
C04237
4.482
-
3?-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene
-
ME497171
-
-
1.626
-
3-Hydroxy-4H-pyrid-4-one
-
ME493028
-
C03927
0.92824996
-
3?-Hydroxy-5?-chol-7-en-24-oic Acid
-
ME490323
-
-
13.735687
-
3?-Hydroxy-5?-chol-7-en-24-oic Acid +13.603
-
ME497172
-
-
13.603
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid
-
ME493739
-
-
7.2393336
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +10.6...
-
ME493021
-
-
10.62175
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +6.72...
-
ME494876
-
-
6.729
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +7.19...
-
ME493740
-
-
7.197333
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +7.78...
-
ME492099
-
-
7.788667
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +7.87...
-
ME493022
-
-
7.8745
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +8.21...
-
ME494877
-
-
8.216499
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +8.77...
-
ME497173
-
-
8.772
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +9.37...
-
ME492100
-
-
9.3775
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +9.72...
-
ME497174
-
-
9.728
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +9.89...
-
ME490767
-
-
9.894357
-
3-Hydroxy-7-aminonitrazepam
-
ME497224
-
-
3.168
-
3-?-hydroxyandrost-5-en-17-one sulfate
-
ME493023
-
-
6.1192503
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME491387
-
C00632
1.1221111
-
3-Hydroxyanthranilic acid +3.4177997
3-Hydroxyanthranilic acid
ME492501
-
C00632
3.4177997
-
3-Hydroxyanthranilic acid +3.422
3-Hydroxyanthranilic acid
ME494893
-
C00632
3.422
-
3-Hydroxybenzyl alcohol
3-Hydroxybenzyl alcohol
ME497225
-
C03351
3.609
-
3-Hydroxybenzyl alcohol -3.7715
3-Hydroxybenzyl alcohol
ME494894
-
C03351
3.7715
-
3-Hydroxybenzyl alcohol -5.822
3-Hydroxybenzyl alcohol
ME497226
-
C03351
5.822
-
3-Hydroxybiphenyl
-
ME494895
-
C14342
3.2814999
-
3-Hydroxybiphenyl +4.923
-
ME497227
-
C14342
4.923
-
3?-Hydroxydeoxydesacetoxy-7-Oxogedunin
-
ME497175
-
-
6.658
-
3-?-Hydroxydeoxygedinin
-
ME497176
-
-
9.033
-
3-Hydroxy-DL-kynurenine
Hydroxykynurenine
ME497228
-
C02794
1.193
-
3-hydroxy-dodecanedioic acid
3-Hydroxy-dodecanedioic acid
ME493749
-
-
6.4236665
-
3-hydroxy-dodecanedioic acid +1.624
3-Hydroxy-dodecanedioic acid
ME497229
-
-
1.624
-
3-hydroxy-dodecanedioic acid -6.1946664
3-Hydroxy-dodecanedioic acid
ME493751
-
-
6.1946664
-
3-hydroxy-dodecanedioic acid +6.2046666
3-Hydroxy-dodecanedioic acid
ME493750
-
-
6.2046666
-
3-hydroxy-dodecanedioic acid +6.212
3-Hydroxy-dodecanedioic acid
ME497230
-
-
6.212
-
3-hydroxy-dodecanedioic acid +6.415
3-Hydroxy-dodecanedioic acid
ME497231
-
-
6.415
-
3-hydroxy-dodecanedioic acid +6.4586997
3-Hydroxy-dodecanedioic acid
ME491232
-
-
6.4586997
-
3-hydroxy-dodecanedioic acid +6.4741435
3-Hydroxy-dodecanedioic acid
ME491812
-
-
6.4741435
-
3-hydroxy-dodecanedioic acid -6.49
3-Hydroxy-dodecanedioic acid
ME497236
-
-
6.49
-
3-hydroxy-dodecanedioic acid +6.4945
3-Hydroxy-dodecanedioic acid
ME494896
-
-
6.4945
-
3-hydroxy-dodecanedioic acid +7.204
3-Hydroxy-dodecanedioic acid
ME497232
-
-
7.204
-
3-hydroxy-dodecanedioic acid +7.348
3-Hydroxy-dodecanedioic acid
ME497233
-
-
7.348
-
3-hydroxy-dodecanedioic acid +7.367
3-Hydroxy-dodecanedioic acid
ME497234
-
-
7.367
-
3-hydroxy-dodecanedioic acid +7.8010716
3-Hydroxy-dodecanedioic acid
ME490770
-
-
7.8010716
-
3-hydroxy-dodecanedioic acid +7.812
3-Hydroxy-dodecanedioic acid
ME497235
-
-
7.812
-
3''-Hydroxy-geranylhydroquinone
-
ME493752
-
C18132
1.3353333
-
3''-Hydroxy-geranylhydroquinone +1.286
-
ME497237
-
C18132
1.286
-
3''-Hydroxy-geranylhydroquinone +3.132
-
ME497238
-
C18132
3.132
-
3-Hydroxyhexobarbital
-
ME497239
-
C03068
1.015
-
3-Hydroxyhexobarbital +1.403
-
ME497240
-
C03068
1.403
-
3-Hydroxyisovalerylcarnitine
CAR 4:0;OH,Me
ME492502
-
-
5.322
-
3-Hydroxymethyltriazolopthalazinone
-
ME497241
-
-
3.224
-
3-Hydroxy-N-methylpyridinium
-
ME491388
-
-
1.2444444
-
3-Hydroxy-OPC4-CoA
-
ME493029
-
C16337
0.8905
-
(+)-3-hydroxy pelargonic acid
-
ME496588
-
-
1.622
-
3-hydroxy-phenylglycol
-
ME497242
-
-
3.904
-
(3-Hydroxyphenyl)trimethylammonium
-
ME496636
-
-
1.63
-
3-Hydroxypromazine glucuronide
-
ME494897
-
-
10.5865
-
3-Hydroxypromazine sulfoxide
-
ME494898
-
-
1.6225
-
3-Hydroxypropenoate
3-Hydroxypropenoate
ME492503
-
C12069
1.3834001
-
3-Hydroxyquinaldic acid
-
ME497243
-
C18621
3.683
-
3-Hydroxystachydrine
3-Hydroxystachydrine
ME494899
-
C10151
1.0335
-
3-Hydroxystachydrine +0.946
3-Hydroxystachydrine
ME497244
-
C10151
0.946
-
3-Hydroxystachydrine +3.933
3-Hydroxystachydrine
ME497245
-
C10151
3.933
-
3-hydroxy-suberic acid
3-Hydroxysuberic acid
ME494900
-
-
4.749
-
3-hydroxy-tetradecanedioic acid
3-Hydroxy-tetradecanedioic acid
ME497246
-
-
3.296
-
3-Indoleacetic Acid
Indoleacetic acid
ME494901
-
C00954
3.809
-
3-Indolebutyric acid
3-Indolebutyric acid
ME492504
-
C11284
3.3236
-
3-Indolebutyric acid +3.703
3-Indolebutyric acid
ME497247
-
C11284
3.703
-
3-Indolebutyric acid +5.205
3-Indolebutyric acid
ME497248
-
C11284
5.205
-
3-Indolecarboxylic acid
-
ME497249
-
-
3.832
-
3-Indolecarboxylic acid +3.219
-
ME497250
-
-
3.219
-
3-Isopropyl-3-butenoic acid
-
ME497251
-
C11950
7.377
-
3-Isopropyl-3-butenoic acid -5.531
-
ME497252
-
C11950
5.531
-
3-Isopropyl-3-butenoic acid -5.555
-
ME497253
-
C11950
5.555
-
3-Isopropyl-3-butenoic acid -5.851
-
ME497254
-
C11950
5.851
-
3-Isopropylcatechol
3-Isopropylcatechol
ME494902
-
C01014
5.1905003
-
3-Isopropylcatechol +12.210334
3-Isopropylcatechol
ME493753
-
C01014
12.210334
-
3-Isopropylcatechol +1.394
3-Isopropylcatechol
ME497255
-
C01014
1.394
-
3-Isopropylcatechol -4.414
3-Isopropylcatechol
ME497257
-
C01014
4.414
-
3-Isopropylcatechol +4.959
3-Isopropylcatechol
ME497256
-
C01014
4.959
-
3-Keto-beta-D-galactose
-
ME497259
-
C05394
1.047
-
3-keto palmitic acid
3-Ketopalmitic acid
ME494903
-
-
10.419001
-
3-keto palmitic acid +11.501
3-Ketopalmitic acid
ME494904
-
-
11.501
-
3-keto palmitic acid +7.638
3-Ketopalmitic acid
ME497258
-
-
7.638
-
3-ketosphingosine
3-Ketosphingosine
ME490331
-
C06121
11.843876
-
3-ketosphingosine +11.909453
3-Ketosphingosine
ME491099
-
C06121
11.909453
-
3-ketosphingosine +11.975686
3-Ketosphingosine
ME490332
-
C06121
11.975686
-
3-maleylpyruvic acid
-
ME490985
-
C02167
0.9639167
-
3-Mercapto-2-mercaptomethylpropanoate
-
ME491233
-
C04371
0.8365
-
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abe...
-
ME493754
-
C15063
4.218
-
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abe...
-
ME493030
-
C15063
4.49325
-
3-Methoxyestra-1,3,5(10),16-tetraene
-
ME493755
-
C15107
9.224
-
3-Methoxyestra-1,3,5(10),16-tetraene +8.563
-
ME494905
-
C15107
8.563
-
3-Methoxyestra-1,3,5(10),16-tetraene +9.08
-
ME497260
-
C15107
9.08
-
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxi...
-
ME494906
-
C15078
5.173
-
3-methyl-2,5-dioxo-3-Pyrrolidineacetic acid
-
ME494907
-
-
1.6229999
-
3-Methyl-2-thiohydantoin
-
ME491565
-
-
0.9625
-
3-methyl-adipic acid
3-Methyladipic acid
ME492105
-
-
0.9383333
-
3-methyl-adipic acid -1.777
3-Methyladipic acid
ME494908
-
-
1.777
-
3-methyl-adipic acid -3.071
3-Methyladipic acid
ME497261
-
-
3.071
-
3-methyl-adipic acid -3.408
3-Methyladipic acid
ME497262
-
-
3.408
-
3-methyl-adipic acid -4.693333
3-Methyladipic acid
ME493756
-
-
4.693333
-
3-methyl-adipic acid +4.7
3-Methyladipic acid
ME493031
-
-
4.7
-
3-methyl-adipic acid -5.3188887
3-Methyladipic acid
ME491389
-
-
5.3188887
-
3-Methylamino-1,2-propandiol
-
ME491566
-
-
0.97425
-
(3-Methylcrotonyl)glycine methyl ester
-
ME496637
-
-
1.615
-
3-Methylcytosine
-
ME497263
-
-
0.936
-
3-Methyl-L-histidine
3-Methylhistidine
ME491813
-
C01152
0.9224286
-
3-Methylorsellinic Acid
-
ME493032
-
-
1.3975
-
3-Methylorsellinic Acid +3.804
-
ME497264
-
-
3.804
-
3-Methylorsellinic Acid +4.2314997
-
ME494909
-
-
4.2314997
-
3-Methylsuberic acid
3-Methylsuberic acid
ME497265
-
-
3.874
-
3-methyl-tetradecanedioic acid
3-Methyl-tetradecanedioic acid
ME490771
-
-
12.228642
-
3-methyl-tetradecanedioic acid -6.133
3-Methyl-tetradecanedioic acid
ME497266
-
-
6.133
-
3-methyl-tetradecanedioic acid -6.503
3-Methyl-tetradecanedioic acid
ME497267
-
-
6.503
-
3-Methyluridine
3-Methyluridine
ME497268
-
-
1.251
-
3-Methyluridine +3.235
3-Methyluridine
ME497269
-
-
3.235
-
3-(N-Nitrosomethylamino)propionaldehyde
-
ME497124
-
C19484
1.395
-
3-(N-Nitrosomethylamino)propionitrile
-
ME493012
-
C19280
1.049
-
3-(N-Nitrosomethylamino)propionitrile -1.041
-
ME497126
-
C19280
1.041
-
3-(N-Nitrosomethylamino)propionitrile +1.237
-
ME497125
-
C19280
1.237
-
3-O-Benzyl-4,5-O-(1-methylethyldiene)-b-D-fructopy...
-
ME497273
-
-
1.393
-
3-Octanone
-
ME493757
-
C17145
10.264
-
3-Octanone -8.212
-
ME497274
-
C17145
8.212
-
3-o-Ethyl-L-ascorbic acid
-
ME497275
-
C18342
1.615
-
3-O-(Glcb)-6-O-(Glcb)-(25R)-5alpha-spirostan-3beta...
-
ME493033
-
-
0.9005
-
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoi...
-
ME494911
-
-
4.782
-
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoi...
-
ME497276
-
-
5.926
-
3-O-Methylisoproterenol
-
ME497277
-
-
5.678
-
3-O-Methylrimiterol
-
ME493758
-
-
1.644
-
3-O-Methylrimiterol +1.7082499
-
ME493034
-
-
1.7082499
-
3-O-(Rhaa1-3Glcb1-2(Glcb1-3)Glcb1-4Galb)-(25R)-5al...
-
ME497270
-
-
9.186
-
3-O-(Rhaa1-3Glcb1-2(Glcb1-3)Glcb1-4Galb)-(25R)-5al...
-
ME497271
-
-
6.943
-
3-O-(Rhaa1-3Glcb1-2(Glcb1-3)Glcb1-4Galb)-(25R)-5al...
-
ME494910
-
-
9.2630005
-
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-...
-
ME497278
-
-
3.777
-
3-oxo-4-methyl-pentanoic acid
-
ME492505
-
C03467
3.9836
-
3-oxo-4-methyl-pentanoic acid +1.365
-
ME494912
-
C03467
1.365
-
3-oxo-4-methyl-pentanoic acid -3.973
-
ME497279
-
C03467
3.973
-
3-oxo-4-methyl-pentanoic acid -4.18
-
ME497280
-
C03467
4.18
-
3-Oxo-5alpha-cholan-24-oic Acid
3-Oxo-5alpha-cholan-24-oic acid
ME493035
-
-
7.875
-
3-Oxo-5alpha-cholan-24-oic Acid -12.094251
3-Oxo-5alpha-cholan-24-oic acid
ME493036
-
-
12.094251
-
3-Oxo-5beta-chola-7,11-dien-24-oic Acid
-
ME497281
-
-
7.484
-
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +8.439501
-
ME494913
-
-
8.439501
-
3-Oxo-5?-chola-7,11-dien-24-oic Acid
-
ME493759
-
-
10.0043335
-
3-oxo-adipic acid
-
ME491567
-
-
1.3837501
-
3-oxo-dodecanoyl-CoA
3-Oxolauroyl-CoA
ME492506
-
C05263
0.891
-
3-oxo-heptadecanoic acid
-
ME494914
-
-
11.8185005
-
3-oxo-nonanoic acid
-
ME497282
-
-
3.238
-
3-oxo-nonanoic acid +3.0314002
-
ME492507
-
-
3.0314002
-
3-oxo-nonanoic acid +3.1539998
-
ME492508
-
-
3.1539998
-
3-oxo-nonanoic acid +3.24375
-
ME493037
-
-
3.24375
-
3-oxo-nonanoic acid +5.157
-
ME497283
-
-
5.157
-
3-oxo-nonanoic acid +5.225
-
ME497284
-
-
5.225
-
3-oxo-nonanoic acid +6.401
-
ME493038
-
-
6.401
-
3-oxo-nonanoic acid +6.9079995
-
ME493760
-
-
6.9079995
-
3-oxo-nonanoic acid -6.939
-
ME497285
-
-
6.939
-
3'-Oxopentobarbitone
-
ME494915
-
-
3.0635
-
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime
-
ME497286
-
C15106
14.39
-
3-oxo-tridecanoic acid
-
ME493761
-
-
0.8493333
-
3-O-(Xylb1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5al...
-
ME497272
-
-
6.943
-
3-Phenylpropionaldoxim
-
ME493762
-
C17236
1.395
-
3-Phenylpropionaldoxim +6.21
-
ME497287
-
C17236
6.21
-
3-Phenylpropionaldoxim +7.16
-
ME497288
-
C17236
7.16
-
(3-Phenylpropionyl)glycine methyl ester
-
ME496638
-
-
4.314
-
3-(Phosphoacetylamido)-L-alanine
3-(Phosphoacetylamido)-L-alanine
ME494858
-
C04111
5.6055
-
3-Prenyl-4-Hydroxyacetophenone
-
ME497289
-
C10702
1.008
-
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME492090
-
C01162
1.5820001
-
3-(Pyrazol-1-yl)-L-alanine -0.877
3-(Pyrazol-1-yl)-L-alanine
ME497127
-
C01162
0.877
-
3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-Propionic ...
-
ME494916
-
-
1.6175001
-
(3R)-3-isopropenyl-6-oxoheptanoic acid
-
ME491214
-
C11405
5.2699
-
(3R)-3-isopropenyl-6-oxoheptanoic acid +5.068
-
ME496639
-
C11405
5.068
-
(3R)-3-isopropenyl-6-oxoheptanoic acid -5.1804996
-
ME492058
-
C11405
5.1804996
-
(3R)-3-isopropenyl-6-oxoheptanoic acid +6.0015
-
ME494660
-
C11405
6.0015
-
(3R)-3-isopropenyl-6-oxoheptanoic acid -6.293
-
ME496641
-
C11405
6.293
-
(3R)-3-isopropenyl-6-oxoheptanoic acid -6.5519996
-
ME491777
-
C11405
6.5519996
-
(3R)-3-isopropenyl-6-oxoheptanoic acid +6.89
-
ME496640
-
C11405
6.89
-
(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol
-
ME496642
-
-
6.16
-
3R-hydroxy-tridecanoic acid
-
ME497290
-
-
6.108
-
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic a...
-
ME493633
-
C04529
5.631
-
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic a...
-
ME496643
-
C04529
1.624
-
3S-hydroxy-dodecanoic acid
-
ME494917
-
-
9.736
-
3'-Sialyllactosamine
-
ME492106
-
-
6.9309998
-
3'-Sialyllactosamine -6.914
-
ME497291
-
-
6.914
-
3-tert-Butyl-5-methylcatechol
3-tert-Butyl-5-methylcatechol
ME494918
-
C03929
1.2774999
-
3-tert-Butyl-5-methylcatechol +5.1955004
3-tert-Butyl-5-methylcatechol
ME494919
-
C03929
5.1955004
-
4,10-undecadiynal
-
ME497310
-
-
3.141
-
4,10-undecadiynal +1.316
-
ME497311
-
-
1.316
-
4,10-undecadiynal +5.192
-
ME493041
-
-
5.192
-
4,12-dihydroxy-hexadecanoic acid
4,12-Dihydroxyhexadecanoic acid
ME497312
-
-
9.731
-
4,12-dihydroxy-hexadecanoic acid +10.441308
4,12-Dihydroxyhexadecanoic acid
ME490881
-
-
10.441308
-
4,12-dihydroxy-hexadecanoic acid -8.21
4,12-Dihydroxyhexadecanoic acid
ME497313
-
-
8.21
-
4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
-
ME497337
-
C15217
4.949
-
4-(1-Ethyl-2-phenylbutyl)phenol
-
ME493763
-
C15082
4.854666
-
4-(1-Ethyl-2-phenylbutyl)phenol +5.881
-
ME497293
-
C15082
5.881
-
4-(1-piperazinyl)-1H-Indole
-
ME497294
-
-
3.681
-
4-(1-piperazinyl)-1H-Indole +1.393
-
ME497295
-
-
1.393
-
4-(1-piperazinyl)-1H-Indole +1.408
-
ME497296
-
-
1.408
-
4-(1-piperazinyl)-1H-Indole +1.6235
-
ME493039
-
-
1.6235
-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME493764
-
C01252
4.4806666
-
4-(2-Benzofuranyl)pyridine
-
ME497297
-
C14591
4.983
-
4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid
-
ME494921
-
-
1.0345
-
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acet...
-
ME497298
-
-
3.764
-
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol
-
ME493040
-
-
5.37175
-
4-(4-Deoxy-?-D-gluc-4-enuronosyl)-D-galacturonate
-
ME497299
-
C06118
0.934
-
4-(4-Deoxy-?-D-gluc-4-enuronosyl)-D-galacturonate ...
-
ME497300
-
C06118
0.933
-
4,4'-Diapolycopene
4,4'-Diapolycopene
ME497314
-
C19797
14.016
-
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst...
-
ME497315
-
C14910
8.022
-
4,4-Difluoropregn-5-ene-3,20-dione
-
ME494925
-
C15152
0.9295
-
4,4-Difluoropregn-5-ene-3,20-dione +4.003
-
ME497316
-
C15152
4.003
-
4,4'-dihydroxy-3,5-dimethoxydihydrostilbene
-
ME493765
-
C10256
1.3063334
-
4,4'-dihydroxy-3,5-dimethoxydihydrostilbene +3.136...
-
ME494926
-
C10256
3.1365
-
4,4-Disubstituted cyclohexenone
-
ME497317
-
C12262
6.81
-
4,4-Disubstituted cyclohexenone +5.009
-
ME497318
-
C12262
5.009
-
4,4'-Methylenebis(2,6-di-tert-butylphenol)
-
ME493766
-
C14287
10.007667
-
4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole
-
ME497319
-
C11322
0.908
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME490333
-
C13693
1.0451249
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol -1....
-
ME497321
-
C13693
1.042
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol -1....
-
ME494928
-
C13693
1.346
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +1....
-
ME490882
-
C13693
1.3558462
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +1....
-
ME494927
-
C13693
1.4855001
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +1....
-
ME497320
-
C13693
1.624
-
4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-y...
-
ME497336
-
-
8.34
-
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-metho...
-
ME492510
-
-
3.2806
-
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-metho...
-
ME497334
-
-
3.399
-
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-metho...
-
ME492511
-
-
3.4224
-
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-metho...
-
ME493769
-
-
3.5683334
-
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-metho...
-
ME497335
-
-
3.744
-
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-metho...
-
ME494931
-
-
3.843
-
4,5-didemethylsimmondsin
-
ME493767
-
-
1.0156666
-
4,5-didemethylsimmondsin +0.936
-
ME497322
-
-
0.936
-
4,5-didemethylsimmondsin +1.398
-
ME497323
-
-
1.398
-
4,5-didemethylsimmondsin +4.012
-
ME497324
-
-
4.012
-
4,5'-Dimethylangelicin
-
ME493042
-
C19405
4.5565
-
4,5-epoxy-17R-HDHA
-
ME490334
-
-
11.801938
-
4,5-hexadienal
-
ME493043
-
-
1.19275
-
4,5-hexadienal +1.4
-
ME497325
-
-
1.4
-
4,5-hexadienal +4.335
-
ME497326
-
-
4.335
-
4,6,11-hexadecatrienal
-
ME497327
-
-
4.731
-
4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
-
ME494929
-
-
3.3865
-
4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside -...
-
ME497328
-
-
3.26
-
4,7,10,13,16-Docosapentaynoic acid
-
ME497329
-
-
6.173
-
4,7,10,13,16-Docosapentaynoic acid +5.203
-
ME497330
-
-
5.203
-
4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME493768
-
-
1.6273333
-
4,7-dioxo-octanoic acid +2.989
4,7-Dioxo-octanoic acid
ME497331
-
-
2.989
-
4,7-dioxo-octanoic acid +3.272
4,7-Dioxo-octanoic acid
ME497332
-
-
3.272
-
4,7-dioxo-octanoic acid +3.985
4,7-Dioxo-octanoic acid
ME497333
-
-
3.985
-
4,7-dioxo-octanoic acid +4.490667
4,7-Dioxo-octanoic acid
ME492108
-
-
4.490667
-
4,7-dioxo-octanoic acid +6.0295
4,7-Dioxo-octanoic acid
ME494930
-
-
6.0295
-
4-Acetamido-2-amino-6-nitrotoluene
-
ME497338
-
C16420
3.67
-
4-Amino-1-piperidinecarboxylic acid
4-Amino-1-piperidinecarboxylic acid
ME497339
-
C16837
0.947
-
4-Amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME490335
-
C04556
4.533375
-
4-Amino-2-nitrophenol
-
ME494932
-
C19323
0.91550004
-
4-Amino-2-nitrotoluene
-
ME492109
-
C18320
2.8690002
-
4-Amino-2-nitrotoluene +1.0895
-
ME494933
-
C18320
1.0895
-
4-Amino-2-nitrotoluene +1.3953333
-
ME493770
-
C18320
1.3953333
-
4-Amino-2-nitrotoluene +1.662
-
ME497340
-
C18320
1.662
-
4-Amino-2-nitrotoluene +1.7255001
-
ME494934
-
C18320
1.7255001
-
4-Amino-2-nitrotoluene +2.89
-
ME497341
-
C18320
2.89
-
4-Amino-2-nitrotoluene +2.9259999
-
ME492110
-
C18320
2.9259999
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline
-
ME497342
-
-
1.393
-
4-Amino-7-chloroquinoline
4-Amino-7-chloroquinoline
ME493771
-
-
8.977666
-
4-Aminobenzenesulfonate
-
ME497343
-
C06335
0.835
-
4-Aminobenzenesulfonate +1.001
-
ME497344
-
C06335
1.001
-
4-Aminoestra-1,3,5(10)-triene-3,17beta-diol
-
ME497345
-
C15005
1.398
-
4-Aminomethylindole
-
ME491815
-
-
1.6185714
-
4-Aminomethylindole +1.2696667
-
ME492111
-
-
1.2696667
-
4-Aminomethylindole +1.6236668
-
ME493772
-
-
1.6236668
-
4-Aminomethylindole +3.019
-
ME497346
-
-
3.019
-
4-Aminomethylindole +3.87
-
ME497347
-
-
3.87
-
4-Aminostilbene
-
ME497348
-
-
3.213
-
4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxycha...
-
ME497349
-
C15080
3.594
-
4-Bromophenylthiourea
4-Bromophenylthiourea
ME494935
-
C14644
1.8445001
-
4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoa...
-
ME493773
-
C18345
0.92733335
-
4-Carboxy-4-hydroxy-2-oxoadipate
-
ME491101
-
C04115
1.6384546
-
4-Carboxy-4-hydroxy-2-oxoadipate -1.6894999
-
ME492112
-
C04115
1.6894999
-
4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol
-
ME497350
-
C15045
0.948
-
4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol -1.379
-
ME494936
-
C15045
1.379
-
4-Chlorotestosterone
-
ME497351
-
-
3.138
-
4-Coumaryl alcohol
4-Coumaryl alcohol
ME497352
-
C02646
4.426
-
4-Dedimethylamino-4-oxo-anhydrotetracycline
-
ME497353
-
C06627
4.316
-
4-Dedimethylamino-4-oxo-anhydrotetracycline -4.397
-
ME497354
-
C06627
4.397
-
4'-Desmethylpapaverine
-
ME494937
-
-
1.6215
-
4-(?-D-Glucosyloxy)benzoate
-
ME494920
-
C03993
1.617
-
4-(?-D-Glucosyloxy)benzoate -1.384
-
ME497292
-
C03993
1.384
-
4-(dimethylamino)cinnamaldehyde
-
ME491814
-
-
1.1301428
-
4-Dimethylamino-L-phenylalanine
-
ME492512
-
C18619
0.95219994
-
4-Dimethylamino-L-phenylalanine +1.395
-
ME494938
-
C18619
1.395
-
4-Dimethylamino-L-phenylalanine +1.671
-
ME493774
-
C18619
1.671
-
4-Dimethylamino-L-phenylalanine +1.715
-
ME497355
-
C18619
1.715
-
4-Dimethylamino-L-phenylalanine +2.431
-
ME497356
-
C18619
2.431
-
4-Dimethylamino-L-phenylalanine +2.5247502
-
ME493044
-
C18619
2.5247502
-
4-Dimethylamino-L-phenylalanine +3.0612497
-
ME493045
-
C18619
3.0612497
-
4-Dimethylamino-L-phenylalanine +3.1338997
-
ME491235
-
C18619
3.1338997
-
4-Dimethylamino-L-phenylalanine +3.434
-
ME497357
-
C18619
3.434
-
4-Dimethylamino-L-phenylalanine +4.145
-
ME493775
-
C18619
4.145
-
(4E,6E,d14:2) sphingosine
(4E,6E,d14:2) Sphingosine
ME496644
-
-
13.737
-
(4E,6E,d14:2) sphingosine +9.336
(4E,6E,d14:2) Sphingosine
ME496645
-
-
9.336
-
(4E,8E,10E-d18:3)sphingosine
(4E,8E,10E-d18:3) Sphingosine
ME490276
-
-
11.303688
-
(4E,8E,10E-d18:3)sphingosine +11.432125
(4E,8E,10E-d18:3) Sphingosine
ME490277
-
-
11.432125
-
(4E,8E,10E-d18:3)sphingosine +11.493625
(4E,8E,10E-d18:3) Sphingosine
ME490278
-
-
11.493625
-
(4E,8E,10E-d18:3)sphingosine +11.649876
(4E,8E,10E-d18:3) Sphingosine
ME490279
-
-
11.649876
-
(4E,8E,10E-d18:3)sphingosine +8.002
(4E,8E,10E-d18:3) Sphingosine
ME496646
-
-
8.002
-
4E,9Z-Tetradecadienal
-
ME492113
-
-
1.3553333
-
4E,9Z-Tetradecadienal +10.130666
-
ME490643
-
-
10.130666
-
4E,9Z-Tetradecadienal +10.207429
-
ME490772
-
-
10.207429
-
4E,9Z-Tetradecadienal +3.109
-
ME497358
-
-
3.109
-
4E-Tridecenyl acetate
-
ME493776
-
-
11.014667
-
4E-Tridecenyl acetate -12.365
-
ME497359
-
-
12.365
-
4-Formylsalicylic acid
-
ME491568
-
C14100
4.36075
-
4-Formylsalicylic acid +1.135
-
ME497360
-
C14100
1.135
-
4-Guanidino-1-butanol
-
ME492114
-
C17146
1.3966666
-
4-Guanidino-1-butanol +1.015
-
ME497361
-
C17146
1.015
-
4-Guanidino-1-butanol +1.0315001
-
ME494939
-
C17146
1.0315001
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME492513
-
C14236
9.552199
-
4-Heptyloxyphenol +13.204749
4-Heptyloxyphenol
ME490986
-
C14236
13.204749
-
4-Heptyloxyphenol +13.2355
4-Heptyloxyphenol
ME494941
-
C14236
13.2355
-
4-Heptyloxyphenol +13.286
4-Heptyloxyphenol
ME497362
-
C14236
13.286
-
4-Heptyloxyphenol +1.6229999
4-Heptyloxyphenol
ME494940
-
C14236
1.6229999
-
4-Heptyloxyphenol +5.183
4-Heptyloxyphenol
ME497363
-
C14236
5.183
-
4-Heptyloxyphenol +7.8545
4-Heptyloxyphenol
ME494942
-
C14236
7.8545
-
4-Heptyloxyphenol -9.54677
4-Heptyloxyphenol
ME490883
-
C14236
9.54677
-
4-Heptyloxyphenol +9.58
4-Heptyloxyphenol
ME497364
-
C14236
9.58
-
4-Heptyloxyphenol -9.597
4-Heptyloxyphenol
ME493777
-
C14236
9.597
-
4-Heptyloxyphenol -9.613728
4-Heptyloxyphenol
ME491102
-
C14236
9.613728
-
4-heptynoic acid
4-Heptynoic acid
ME497365
-
-
4.148
-
4-hydroperoxy 2-Nonenal
-
ME497366
-
-
7.775
-
4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl
-
ME491390
-
C15248
0.83255553
-
4-hydroxy-2-oxo-Heptanedioic acid
4-Hydroxy-2-oxo-heptanedioic acid
ME497367
-
-
1.015
-
4-hydroxy-2-oxo-Heptanedioic acid -1.386
4-Hydroxy-2-oxo-heptanedioic acid
ME497368
-
-
1.386
-
4-hydroxy-2-oxo-Heptanedioic acid -3.1073334
4-Hydroxy-2-oxo-heptanedioic acid
ME493780
-
-
3.1073334
-
4-Hydroxy-2-quinolone
Dihydroxyquinoline
ME497369
-
C16716
3.455
-
4-Hydroxy-2-quinolone -3.6728334
Dihydroxyquinoline
ME492115
-
C16716
3.6728334
-
4-Hydroxy-2-quinolone +3.684
Dihydroxyquinoline
ME497370
-
C16716
3.684
-
4-Hydroxy-2-quinolone -4.4744997
Dihydroxyquinoline
ME491236
-
C16716
4.4744997
-
4-Hydroxy-2-quinolone +4.4979997
Dihydroxyquinoline
ME493781
-
C16716
4.4979997
-
4-Hydroxy-2-quinolone -5.068
Dihydroxyquinoline
ME494944
-
C16716
5.068
-
4-Hydroxy-2-quinolone +5.0705
Dihydroxyquinoline
ME494943
-
C16716
5.0705
-
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME497371
-
C12114
3.505
-
4-Hydroxy-6-methylpretetramide
-
ME497372
-
C06628
5.134
-
4-hydroxy caproaldehyde
-
ME493778
-
-
4.992
-
4-hydroxy caproaldehyde +8.423
-
ME493779
-
-
8.423
-
4-Hydroxycinnamic acid
cis-p-Coumaric acid
ME490884
-
C00811
1.6382307
-
4-Hydroxycinnamic acid +1.4
cis-p-Coumaric acid
ME493782
-
C00811
1.4
-
4-Hydroxycinnamic acid +9.474999
cis-p-Coumaric acid
ME493783
-
C00811
9.474999
-
4-Hydroxycinnamic acid +9.477142
cis-p-Coumaric acid
ME491816
-
C00811
9.477142
-
4-Hydroxyethinylestradiol
-
ME490644
-
-
10.362533
-
4-Hydroxyethinylestradiol -10.402818
-
ME491103
-
-
10.402818
-
4-Hydroxyethinylestradiol -10.454134
-
ME490645
-
-
10.454134
-
4-Hydroxyethinylestradiol -10.5929985
-
ME490885
-
-
10.5929985
-
4-Hydroxyethinylestradiol +5.04
-
ME497373
-
-
5.04
-
4-Hydroxyfurano[2'',3'':6,7]aurone
-
ME491817
-
-
1.3858572
-
4-(Hydroxylamino)-N,N-dimethylaniline
4-(Hydroxylamino)-N,N-dimethylaniline
ME497301
-
C19681
1.391
-
4-(Hydroxylamino)-N,N-dimethylaniline +4.663
4-(Hydroxylamino)-N,N-dimethylaniline
ME497302
-
C19681
4.663
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME493046
-
C01015
0.98575
-
4'-Hydroxyminoxidil
-
ME493784
-
-
0.9343333
-
4-Hydroxy-N-desmethyltamoxifen
-
ME497374
-
C16547
7.71
-
4-Hydroxyoxprenolol glucuronide
-
ME497375
-
-
3.428
-
4'-Hydroxypenbutolol glucuronide
-
ME497376
-
-
6.807
-
4'-Hydroxypenbutolol glucuronide -6.903
-
ME497377
-
-
6.903
-
4'-Hydroxypenbutolol glucuronide -7.285
-
ME497378
-
-
7.285
-
4-Hydroxyphenyl-4-hydroxybenzoate
-
ME494945
-
C18216
3.2085
-
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME493047
-
-
3.5837502
-
4-Hydroxyphenyllactic acid +1.032
4-Hydroxyphenyllactic acid
ME493785
-
-
1.032
-
4-Hydroxyphenyllactic acid +1.2379999
4-Hydroxyphenyllactic acid
ME494946
-
-
1.2379999
-
4-Hydroxyphenyllactic acid +1.382
4-Hydroxyphenyllactic acid
ME491818
-
-
1.382
-
4-Hydroxyphenyllactic acid +3.3095
4-Hydroxyphenyllactic acid
ME494947
-
-
3.3095
-
4'-Hydroxytrimethoprim
-
ME490336
-
-
6.060312
-
4'-Hydroxytrimethoprim +3.046
-
ME497379
-
-
3.046
-
4'-Hydroxytrimethoprim +3.136
-
ME497380
-
-
3.136
-
4'-Hydroxytrimethoprim +4.059
-
ME494948
-
-
4.059
-
4'-Hydroxytrimethoprim +7.9788747
-
ME490337
-
-
7.9788747
-
4'-Hydroxytrimethoprim +7.993
-
ME497381
-
-
7.993
-
4-Isopropylbenzoic acid
4-Isopropylbenzoic acid
ME493786
-
C06578
5.3833337
-
4-Isopropylbenzoic acid +11.291
4-Isopropylbenzoic acid
ME497383
-
C06578
11.291
-
4-Isopropylbenzoic acid +1.4
4-Isopropylbenzoic acid
ME497382
-
C06578
1.4
-
4-Ketocyclophosphamide
4-Ketocyclophosphamide
ME494949
-
C07644
5.1785
-
4-keto palmitic acid
-
ME490338
-
-
10.392687
-
4-keto palmitic acid +10.478467
-
ME490646
-
-
10.478467
-
4-keto palmitic acid +11.285385
-
ME490886
-
-
11.285385
-
4-keto palmitic acid +11.414
-
ME491819
-
-
11.414
-
4-keto palmitic acid +11.509143
-
ME490773
-
-
11.509143
-
4-keto palmitic acid +11.553833
-
ME492116
-
-
11.553833
-
4-keto palmitic acid +11.757429
-
ME491820
-
-
11.757429
-
4-Ketoretinoic acid glucuronide
-
ME497384
-
-
5.263
-
4'-Methoxychalcone
-
ME494950
-
-
1.3399999
-
4-Methoxytyramine
4-Methoxytyramine
ME493787
-
-
2.8853333
-
4-Methoxytyramine +1.686
4-Methoxytyramine
ME497385
-
-
1.686
-
4-Methoxytyramine +2.844
4-Methoxytyramine
ME497386
-
-
2.844
-
4-Methyl-3-oxoadipate
-
ME497387
-
C18312
3.414
-
4-Methyl-3-oxoadipate -3.0295
-
ME492117
-
C18312
3.0295
-
4-Methyl-3-oxoadipate-enol-lactone
-
ME497388
-
C18311
1.22
-
4-Methyl-5-nitrocatechol
-
ME490774
-
C18315
0.93514293
-
4-Methyl-5-nitrocatechol +0.94100004
-
ME490775
-
C18315
0.94100004
-
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME497389
-
C04294
3.92
-
4-Methylaminobutyrate
4-(Methylamino)butyric acid
ME493788
-
C15987
0.97166663
-
4-Methylaminobutyrate +1.337
4-(Methylamino)butyric acid
ME494951
-
C15987
1.337
-
4-Methylbenzyl alcohol
-
ME494952
-
C06757
6.1665
-
4-Methylburimamide
4-Methylburimamide
ME497390
-
C11801
6.578
-
4-Methylhistamine
-
ME490339
-
C17929
3.4134998
-
4-Methylhistamine +3.425
-
ME497391
-
C17929
3.425
-
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-bu...
-
ME491100
-
C19602
3.408818
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME497303
-
C19574
4.309
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol +1.6...
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME497304
-
C19574
1.622
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol +3.2...
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME494922
-
C19574
3.225
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol gluc...
-
ME497305
-
C19605
0.944
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol gluc...
-
ME497306
-
C19605
5.408
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME494923
-
C19603
1.0875
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME497307
-
C19603
1.003
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME492509
-
C19603
1.0035999
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME494924
-
C19603
1.622
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME497308
-
C19603
3.043
-
4-methylthiazole-5-acetic-acid
-
ME490987
-
-
0.96258336
-
4-Methylthiobutyl-desulfoglucosinolate
-
ME497392
-
C17248
1.283
-
4-Methylumbelliferyl heptanoate
-
ME497393
-
-
5.234
-
4-n-Hexylphenol
-
ME497394
-
C14465
3.162
-
4-Nitrophenol-alpha-D-galactopyranoside
-
ME497395
-
C04452
1.352
-
4-(N-Maleimido)phenyltrimethylammonium
-
ME492107
-
C13678
4.7185
-
4-(N-Maleimido)phenyltrimethylammonium +4.849
-
ME497309
-
C13678
4.849
-
4-O-alpha-Cadinylangolensin
-
ME491237
-
-
11.6568
-
4-O-alpha-Cadinylangolensin +6.713
-
ME497396
-
-
6.713
-
4-O-alpha-Cadinylangolensin +6.792
-
ME497397
-
-
6.792
-
4-octenal
-
ME497398
-
-
7.883
-
4-octenal +12.917
-
ME497399
-
-
12.917
-
4-octenal -6.196
-
ME497402
-
-
6.196
-
4-octenal +8.355
-
ME497400
-
-
8.355
-
4-octenal +8.872
-
ME497401
-
-
8.872
-
(4OH,8Z,t18:1) sphingosine
-
ME491215
-
-
9.815
-
(4OH,8Z,t18:1) sphingosine +10.019846
-
ME490866
-
-
10.019846
-
(4OH,8Z,t18:1) sphingosine +5.8875
-
ME494661
-
-
5.8875
-
4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside)
-
ME497403
-
-
5.692
-
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylg...
-
ME493789
-
-
6.912333
-
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylg...
-
ME492118
-
-
6.9370003
-
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylg...
-
ME494953
-
-
6.955
-
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylg...
-
ME497404
-
-
6.966
-
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylg...
-
ME491569
-
-
6.969125
-
4-Oxo-1-(3-pyridyl)-1-butanone
-
ME491391
-
C19567
4.483667
-
4-Oxo-1-(3-pyridyl)-1-butanone -3.669
-
ME497407
-
C19567
3.669
-
4-Oxo-1-(3-pyridyl)-1-butanone +5.051
-
ME497405
-
C19567
5.051
-
4-Oxo-1-(3-pyridyl)-1-butanone +5.483
-
ME494955
-
C19567
5.483
-
4-Oxo-1-(3-pyridyl)-1-butanone -5.493
-
ME497408
-
C19567
5.493
-
4-Oxo-1-(3-pyridyl)-1-butanone +5.807
-
ME497406
-
C19567
5.807
-
4-oxo capric acid
-
ME494954
-
-
6.2165003
-
4-Oxovalproic acid
-
ME497409
-
C16655
1.239
-
4-Oxovalproic acid +1.0214
-
ME491238
-
C16655
1.0214
-
4-Oxovalproic acid +1.243
-
ME493790
-
C16655
1.243
-
4-Oxovalproic acid +1.7506001
-
ME492514
-
C16655
1.7506001
-
4-Oxovalproic acid +4.372667
-
ME493791
-
C16655
4.372667
-
4-Oxovalproic acid +4.5851665
-
ME492119
-
C16655
4.5851665
-
4-Pentenoic acid, 3-oxo-
-
ME493792
-
-
1.3866667
-
4-Pentenoic acid, 3-oxo- +1.254
-
ME497410
-
-
1.254
-
4-Pentenoic acid, 3-oxo- -1.611
-
ME497412
-
-
1.611
-
4-Pentenoic acid, 3-oxo- -3.197
-
ME494956
-
-
3.197
-
4-Pentenoic acid, 3-oxo- +3.213
-
ME497411
-
-
3.213
-
4-Phenethylphenol
-
ME497413
-
C14340
1.614
-
4-Phenethylphenol +1.399
-
ME497414
-
C14340
1.399
-
4-Phenethylphenol +3.257
-
ME494957
-
C14340
3.257
-
4-Phospho-N-pantothenoylcysteine
-
ME491104
-
-
6.471819
-
4-Phospho-N-pantothenoylcysteine -6.1821
-
ME491239
-
-
6.1821
-
4-Phosphopantothenoylcysteine
-
ME494958
-
C04352
6.2174997
-
4-PIOL
-
ME490340
-
C13710
0.876
-
4-PIOL -0.87012494
-
ME491570
-
C13710
0.87012494
-
4-PIOL +1.0442001
-
ME492515
-
C13710
1.0442001
-
4-PIOL +1.1
-
ME497415
-
C13710
1.1
-
4-PIOL +3.5001998
-
ME492516
-
C13710
3.5001998
-
4-PIOL +3.862
-
ME497416
-
C13710
3.862
-
4-Prenyldihydropinosylvin
-
ME497417
-
C10281
5.43
-
4-Prenyldihydropinosylvin +3.099
-
ME497418
-
C10281
3.099
-
4-Prenyldihydropinosylvin +6.177
-
ME497419
-
C10281
6.177
-
4-Prenylresveratrol
4-Prenylresveratrol
ME493793
-
C10285
1.3963333
-
4-Prenylresveratrol +11.011469
4-Prenylresveratrol
ME490647
-
C10285
11.011469
-
4-Prenylresveratrol +1.6265
4-Prenylresveratrol
ME494959
-
C10285
1.6265
-
4-Pyridoxic acid
4-Pyridoxic acid
ME493048
-
C00847
1.181
-
4-Pyridoxic acid +3.0055
4-Pyridoxic acid
ME491571
-
C00847
3.0055
-
(4S)-4,5-Dihydroxypentan-2,3-dione
-
ME490867
-
C11838
3.5707693
-
(4S)-4,5-Dihydroxypentan-2,3-dione -3.1940002
-
ME491546
-
C11838
3.1940002
-
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate
-
ME492059
-
C04471
1.6888332
-
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate -1.657333...
-
ME493634
-
C04471
1.6573334
-
4S,5S-antillatoxin A
-
ME497420
-
-
6.466
-
4S,5S-antillatoxin A +6.075
-
ME497421
-
-
6.075
-
4-Sulfobenzaldehyde
-
ME497422
-
C06679
3.748
-
4-Sulfobenzaldehyde -4.4275
-
ME494960
-
C06679
4.4275
-
4-Sulfobenzoate
4-Sulfobenzoic acid
ME493794
-
C02236
3.4183333
-
4-Sulfobenzoate -4.064
4-Sulfobenzoic acid
ME497423
-
C02236
4.064
-
4-Sulfobenzoate -4.175
4-Sulfobenzoic acid
ME497424
-
C02236
4.175
-
4-Sulfobenzyl alcohol
-
ME490648
-
C06678
0.96333337
-
4-Sulfobenzyl alcohol -5.1148887
-
ME491392
-
C06678
5.1148887
-
4-tert-Octylphenol
-
ME497425
-
C14205
8.139
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME490880
-
C04114
1.1036923
-
4-(Trimethylammonio)but-2-enoate +1.2657334
(E)-4-(Trimethylammonio)but-2-enoate
ME490642
-
C04114
1.2657334
-
4-(Trimethylammonio)but-2-enoate +1.4025
(E)-4-(Trimethylammonio)but-2-enoate
ME491234
-
C04114
1.4025
-
4-Vinylcyclohexene
-
ME497426
-
C19310
7.798
-
4-Vinylcyclohexene +5.221
-
ME497427
-
C19310
5.221
-
4-Vinylcyclohexene +5.263
-
ME497428
-
C19310
5.263
-
4Z-tetradecenoic acid
-
ME490776
-
-
10.14007
-
4Z-tetradecenoic acid +10.210308
-
ME490887
-
-
10.210308
-
4Z-tetradecenoic acid +10.4495
-
ME494961
-
-
10.4495
-
5-(1-Hydroxy-2-chloroethyl)-4-methylthiazole
-
ME491821
-
-
0.91699994
-
5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone
-
ME497431
-
-
4.619
-
5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
-
ME497432
-
-
5.763
-
5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone -5.7...
-
ME497433
-
-
5.752
-
5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone
-
ME497434
-
-
6.15
-
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin
-
ME494962
-
-
5.0285
-
5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisofla...
-
ME494963
-
-
4.5315
-
5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
-
ME492517
-
C04485
0.9618
-
5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone ...
-
ME494964
-
-
3.2625
-
5,4'-Dihydroxy-7'-methoxy-8-methylflavan
-
ME492120
-
-
6.1328335
-
5,4'-Dihydroxy-7'-methoxy-8-methylflavan -7.382666
-
ME493795
-
-
7.382666
-
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
-
ME497429
-
C04486
0.964
-
5,5-Bis(4-hydroxyphenyl)hydantoin
-
ME492121
-
-
3.1519997
-
5,6,7,8-tetrahydro-2-Naphthoic Acid
-
ME497435
-
C14111
3.692
-
5,6,7,8-Tetrahydro-2-naphthol
-
ME493796
-
C14309
1.3943334
-
5,6-Dihydroxy-7,8,4'-trimethoxyflavone
-
ME497436
-
-
5.171
-
5,6-Dihydroxy-7,8,4'-trimethoxyflavone -5.529
-
ME497437
-
-
5.529
-
5(6)-EpETrE-EA
5(6)-EpETrE-EA
ME497430
-
-
7.795
-
5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylf...
-
ME497438
-
-
6.306
-
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
-
ME494965
-
-
4.3535
-
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone -4.3...
-
ME493049
-
-
4.33625
-
5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone
-
ME494966
-
-
5.6035
-
5,7-Dihydroxy-8,2'-dimethoxyflavanone
-
ME497439
-
-
5.36
-
5,7-Dihydroxyflavone 7-benzoate
-
ME497440
-
-
3.527
-
5,7-Dimethoxy-6-C-methylflavanone
-
ME491105
-
-
7.765546
-
5-Acetoxypalisadin B
-
ME497442
-
-
3.074
-
5-Acetoxypalisadin B -5.026
-
ME493051
-
-
5.026
-
5-Acetoxypalisadin B -5.033
-
ME494967
-
-
5.033
-
5-Acetoxypalisadin B -5.603286
-
ME491822
-
-
5.603286
-
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME494968
-
C16365
2.2195
-
5-Acetylamino-6-formylamino-3-methyluracil -2.26
5-Acetylamino-6-formylamino-3-methyluracil
ME497443
-
C16365
2.26
-
5a-Dihydrotestosterone sulfate
5alpha-Dihydrotestosterone sulfate
ME493797
-
-
3.5463333
-
5a-Dihydrotestosterone sulfate +3.6609998
5alpha-Dihydrotestosterone sulfate
ME491572
-
-
3.6609998
-
5a-Dihydrotestosterone sulfate -5.2769995
5alpha-Dihydrotestosterone sulfate
ME492518
-
-
5.2769995
-
5a-Dihydrotestosterone sulfate -6.5284996
5alpha-Dihydrotestosterone sulfate
ME494969
-
-
6.5284996
-
5a-Dihydrotestosterone sulfate -6.7102222
5alpha-Dihydrotestosterone sulfate
ME491393
-
-
6.7102222
-
5a-Dihydrotestosterone sulfate -6.726
5alpha-Dihydrotestosterone sulfate
ME497444
-
-
6.726
-
5a-Dihydrotestosterone sulfate -6.7413335
5alpha-Dihydrotestosterone sulfate
ME493798
-
-
6.7413335
-
5a-Dihydrotestosterone sulfate -7.6974287
5alpha-Dihydrotestosterone sulfate
ME491823
-
-
7.6974287
-
5a-Dihydrotestosterone sulfate -7.764
5alpha-Dihydrotestosterone sulfate
ME494970
-
-
7.764
-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide
5-Amino-1-Ribofuranosylimidazole-4-carboxyamide
ME492519
-
C04663
10.8220005
-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide +1...
5-Amino-1-Ribofuranosylimidazole-4-carboxyamide
ME490888
-
C04663
11.92223
-
5-Aminoacenaphthene
-
ME497445
-
C19319
3.266
-
5-aminosalicyluric acid
5-Aminosalicyluric acid
ME497446
-
-
3.277
-
5-aminosalicyluric acid +1.3906666
5-Aminosalicyluric acid
ME492122
-
-
1.3906666
-
5-aminosalicyluric acid +1.6206666
5-Aminosalicyluric acid
ME493799
-
-
1.6206666
-
5-aminosalicyluric acid -2.197
5-Aminosalicyluric acid
ME497447
-
-
2.197
-
5-Azacytidine
Azacitidine
ME493052
-
-
3.3017497
-
5-azauridine
-
ME497448
-
-
3.503
-
5beta-Chola-3,8(14),11-trien-24-oic Acid
-
ME493800
-
-
7.7829995
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +6.724
-
ME497449
-
-
6.724
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +9.0792
-
ME492520
-
-
9.0792
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +9.895
-
ME497450
-
-
9.895
-
5b-Pregnanediol
-
ME493801
-
C01523
10.588
-
5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-...
-
ME497451
-
-
3.347
-
5-Chloro-3-methylcatechol
-
ME497452
-
C03591
0.962
-
5?-Cholestane-3?,6?,7?,25,26-pentol
-
ME497441
-
-
9.263
-
5-Cholestene-3?,7?,12?,25,26-pentol
-
ME492123
-
-
10.761834
-
5-Cholestene-3?,7?,12?,25,26-pentol -10.6710005
-
ME493802
-
-
10.6710005
-
5-Cholestene-3?,7?,12?,25,26-pentol -10.750833
-
ME492124
-
-
10.750833
-
5-Cholestene-3?,7?,12?,25,26-pentol +10.784
-
ME497453
-
-
10.784
-
5-Cholestene-3?,7?,12?,25,26-pentol -9.25
-
ME497455
-
-
9.25
-
5-Cholestene-3?,7?,12?,25,26-pentol +9.275
-
ME497454
-
-
9.275
-
5?-Cyprinolsulfate
-
ME493050
-
C05468
5.0649996
-
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohe...
-
ME497456
-
C04815
3.269
-
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohe...
-
ME494971
-
C04815
3.7805
-
5'-Deoxy-5'-fluoroadenosine
5'-Deoxy-5'-fluoroadenosine
ME491573
-
C19766
1.3929999
-
5'-Deoxy-5'-fluoroadenosine +1.396
5'-Deoxy-5'-fluoroadenosine
ME493053
-
C19766
1.396
-
5'-Deoxy-5'-fluoroadenosine +1.619
5'-Deoxy-5'-fluoroadenosine
ME497457
-
C19766
1.619
-
5'-Deoxy-5'-fluoroadenosine +3.047
5'-Deoxy-5'-fluoroadenosine
ME494972
-
C19766
3.047
-
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric aci...
-
ME497458
-
-
1.381
-
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME497459
-
C03843
3.214
-
5-Fluoromuconolactone
-
ME490777
-
C16477
0.9615714
-
5-Hepten-3-ynoic acid, 2,2-dimethyl-7-[(1-naphthal...
-
ME497460
-
-
3.531
-
5-Hepten-3-ynoic acid, 2,2-dimethyl-7-[(1-naphthal...
-
ME497461
-
-
1.397
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME490341
-
-
0.83656245
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME493054
-
-
1.4015
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME494973
-
-
1.6110001
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME494974
-
-
3.1655002
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME493055
-
-
3.3979998
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME493056
-
-
3.6555
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME497462
-
-
4.689
-
(±)5-HETE
5-HETE
ME494637
-
-
11.3064995
-
(±)5-HETE +13.443001
5-HETE
ME492942
-
-
13.443001
-
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...
-
ME497463
-
-
6.582
-
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...
-
ME497464
-
-
4.293
-
5-Hydroxy-2-acetamidofluorene
-
ME497465
-
C14678
1.776
-
5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-...
-
ME492125
-
C12248
0.83783334
-
5-Hydroxy-3,4-dihydrocarbostyryl
-
ME492521
-
-
5.4266
-
5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyfla...
-
ME494975
-
-
5.5235
-
5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-pre...
-
ME497466
-
-
6.418
-
5-Hydroxy-6-desmethylprimaquine
-
ME497467
-
-
3.411
-
5-Hydroxy-6-desmethylprimaquine +1.718
-
ME497468
-
-
1.718
-
5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone ...
-
ME494976
-
-
1.387
-
5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside
-
ME494977
-
-
1.604
-
5-Hydroxycisapride
-
ME494978
-
-
1.382
-
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME497469
-
C12204
3.632
-
5-Hydroxydopamine
5-Hydroxydopamine
ME490988
-
-
1.2087501
-
5-Hydroxydopamine +1.1663333
5-Hydroxydopamine
ME492126
-
-
1.1663333
-
5-Hydroxydopamine +1.403
5-Hydroxydopamine
ME497470
-
-
1.403
-
5-Hydroxydopamine +1.62
5-Hydroxydopamine
ME493803
-
-
1.62
-
5-Hydroxydopamine +3.259
5-Hydroxydopamine
ME497471
-
-
3.259
-
5-Hydroxydopamine +3.516
5-Hydroxydopamine
ME497472
-
-
3.516
-
5-Hydroxyectoine
5-Hydroxyectoine
ME490649
-
C16432
0.96133333
-
5-Hydroxyectoine +0.93899995
5-Hydroxyectoine
ME492127
-
C16432
0.93899995
-
5-Hydroxyectoine +1.735
5-Hydroxyectoine
ME497473
-
C16432
1.735
-
5-Hydroxyectoine +3.1174998
5-Hydroxyectoine
ME494979
-
C16432
3.1174998
-
5-Hydroxyferulate
-
ME497474
-
C05619
3.67
-
5-Hydroxyferulate -3.281
-
ME497475
-
C05619
3.281
-
5-Hydroxykynurenine
-
ME497476
-
C05651
1.192
-
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME494980
-
C11101
1.3975
-
5-Hydroxymethyl-2-furaldehyde +0.9756667
5-Hydroxymethyl-2-furancarboxaldehyde
ME493804
-
C11101
0.9756667
-
5-Hydroxymethyl-2-furaldehyde +11.819752
5-Hydroxymethyl-2-furancarboxaldehyde
ME490342
-
C11101
11.819752
-
5-Hydroxymethyl-2-furaldehyde +2.041
5-Hydroxymethyl-2-furancarboxaldehyde
ME497477
-
C11101
2.041
-
5-Hydroxymethyl-2-furaldehyde +3.133
5-Hydroxymethyl-2-furancarboxaldehyde
ME497478
-
C11101
3.133
-
5-Hydroxymethyl-2-furaldehyde +3.362
5-Hydroxymethyl-2-furancarboxaldehyde
ME497479
-
C11101
3.362
-
5-Hydroxymethylcimetidine
-
ME492128
-
-
1.3741666
-
5-Hydroxymethylcimetidine +1.621
-
ME497480
-
-
1.621
-
5-Hydroxymethylcimetidine +1.624
-
ME497481
-
-
1.624
-
5-Hydroxypropafenone
-
ME497482
-
-
1.393
-
5-Ketoeicosatetraenoic acid
-
ME497484
-
-
10.612
-
5-keto palmitic acid
-
ME497483
-
-
11.669
-
5-L-Glutamyl-L-alanine
gamma-Glutamylalanine
ME494981
-
C03740
1.0680001
-
5-Methoxy-3-hydroxyanthranilate
-
ME491106
-
C11466
2.9932725
-
5-Methoxytryptophan
5-Methoxytryptophan
ME491574
-
-
0.93574995
-
5-Methoxytryptophan +3.55
5-Methoxytryptophan
ME497485
-
-
3.55
-
5-Methoxytryptophan +3.924
5-Methoxytryptophan
ME497486
-
-
3.924
-
5-Methoxytryptophan +5.630333
5-Methoxytryptophan
ME490989
-
-
5.630333
-
5-Methyl-2-furaldehyde
-
ME493057
-
C11115
0.92950004
-
5-Methyl-2-furaldehyde +11.018499
-
ME494983
-
C11115
11.018499
-
5-Methyl-2-furaldehyde -1.388
-
ME497489
-
C11115
1.388
-
5-Methyl-2-furaldehyde +1.401
-
ME494982
-
C11115
1.401
-
5-Methyl-2-furaldehyde +1.641
-
ME497487
-
C11115
1.641
-
5-Methyl-2-furaldehyde +3.135
-
ME497488
-
C11115
3.135
-
5-Methyl-2-furaldehyde +3.182
-
ME493058
-
C11115
3.182
-
5-Methyl-2-furaldehyde +3.8934999
-
ME494984
-
C11115
3.8934999
-
5-Methyl-2-furaldehyde -3.93
-
ME497490
-
C11115
3.93
-
5-methyl-7-methoxyisoflavone
-
ME494985
-
-
1.2555001
-
5-methyl-7-methoxyisoflavone +3.734
-
ME497491
-
-
3.734
-
5-Methylcytidine
5-Methylcytidine
ME492129
-
-
1.031
-
5-Methylcytidine +1.05
5-Methylcytidine
ME494986
-
-
1.05
-
5-Methylcytidine +1.403
5-Methylcytidine
ME497492
-
-
1.403
-
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME492522
-
C03592
0.9862
-
5-Methyldeoxycytidine +1.1626667
5-Methyldeoxycytidine
ME493805
-
C03592
1.1626667
-
5-methyl-octadecanoic acid
-
ME490343
-
-
10.892875
-
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]
NPPB
ME497493
-
C13705
4.658
-
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME497494
-
C19469
0.938
-
5'-O-beta-D-Glucosylpyridoxine
-
ME492523
-
C03996
1.3962
-
5'-O-beta-D-Glucosylpyridoxine +1.337
-
ME497495
-
C03996
1.337
-
5'-O-beta-D-Glucosylpyridoxine +1.39
-
ME497496
-
C03996
1.39
-
5'-O-beta-D-Glucosylpyridoxine +1.62275
-
ME493059
-
C03996
1.62275
-
5-O-Feruloylquinic acid
3-O-Feruloylquinic acid
ME497497
-
C02572
1.198
-
5-O-Feruloylquinic acid -0.9395
3-O-Feruloylquinic acid
ME494987
-
C02572
0.9395
-
5-O-Feruloylquinic acid +0.956
3-O-Feruloylquinic acid
ME497498
-
C02572
0.956
-
(-)-5-oxo-1,2-campholide
5-Oxo-1,2-campholide
ME493612
-
C02952
4.733
-
5-Oxoavermectin ''1b'' aglycone
-
ME494988
-
C11962
9.011999
-
5-Oxoavermectin ''1b'' aglycone -6.9244294
-
ME491824
-
C11962
6.9244294
-
5-Oxoavermectin ''1b'' aglycone -9.084332
-
ME493806
-
C11962
9.084332
-
5-Oxoavermectin ''1b'' aglycone -9.199858
-
ME491825
-
C11962
9.199858
-
5-Oxoavermectin ''1b'' aglycone -9.2412
-
ME492524
-
C11962
9.2412
-
(5-Phenyl-1,2,4-triazol-3-yl)urea
-
ME491088
-
C15383
1.3960909
-
(5-Phenyl-1,2,4-triazol-3-yl)urea +0.97900003
-
ME493635
-
C15383
0.97900003
-
(5-Phenyl-1,2,4-triazol-3-yl)urea +1.0496668
-
ME491373
-
C15383
1.0496668
-
(5-Phenyl-1,2,4-triazol-3-yl)urea +1.5748333
-
ME492060
-
C15383
1.5748333
-
(5-Phenyl-1,2,4-triazol-3-yl)urea +3.0975
-
ME492951
-
C15383
3.0975
-
(5-Phenyl-1,2,4-triazol-3-yl)urea -5.596667
-
ME493636
-
C15383
5.596667
-
5-Phenyl-1,3-oxazinane-2,4-dione
-
ME490889
-
C16596
5.1842303
-
5-Phenyl-1,3-oxazinane-2,4-dione +3.189
-
ME497499
-
C16596
3.189
-
5-Phenyl-1,3-oxazinane-2,4-dione -3.5428333
-
ME492130
-
C16596
3.5428333
-
5-Phenyl-1,3-oxazinane-2,4-dione -3.8730001
-
ME494989
-
C16596
3.8730001
-
5-Phenylvaleric acid
5-Phenylvaleric acid
ME497500
-
-
9.456
-
5''-Phosphoribostamycin
-
ME497501
-
C18004
6.808
-
5''-Phosphoribostamycin -6.901
-
ME497502
-
C18004
6.901
-
5''-Phosphoribostamycin -7.287
-
ME497503
-
C18004
7.287
-
5-Phosphoribosyl-5-aminoimidazole
-
ME497504
-
-
3.391
-
5-Phosphoribosyl-5-aminoimidazole +3.404
-
ME497505
-
-
3.404
-
5-Phosphoribosyl-5-aminoimidazole +3.484
-
ME497506
-
-
3.484
-
5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihy...
-
ME497507
-
-
3.602
-
5S-HETE di-endoperoxide
5S-HETE di-endoperoxide
ME490344
-
-
12.385064
-
5S-HETE di-endoperoxide -5.337
5S-HETE di-endoperoxide
ME497508
-
-
5.337
-
5'-S-Methyl-5'-thioinosine
-
ME493807
-
C19787
4.181
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME490617
-
C04875
8.740866
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME492429
-
C04875
13.4278
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME496601
-
C04875
5.747
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME493617
-
C04875
8.809667
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME494635
-
C04875
8.847
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME491211
-
C04875
9.3559
-
5-trans U-44069
-
ME492525
-
-
13.440799
-
5-trans U-44069 +12.750333
-
ME493808
-
-
12.750333
-
5-trans U-44069 +12.827286
-
ME490778
-
-
12.827286
-
5Z,7E-Dodecadienal
-
ME497509
-
-
5.35
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME493060
-
C04332
1.14
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine +1.186
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME497513
-
C04332
1.186
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine +1.3983334
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME493810
-
C04332
1.3983334
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine +1.618
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME493811
-
C04332
1.618
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine +6.328
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME497514
-
C04332
6.328
-
6,7-Dimethyltetrahydropterin
-
ME497515
-
-
0.921
-
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglyco...
-
ME494993
-
C11961
6.5690002
-
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglyco...
-
ME497516
-
C11961
7.646
-
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglyco...
-
ME497517
-
C11961
7.958
-
6,8-dihydroxy-octanoic acid
6,8-Dihydroxyoctanoic acid
ME490345
-
-
8.741625
-
6,8-Dihydroxypurine
6,8-Dihydroxypurine
ME491394
-
-
1.4486667
-
6,8-Dihydroxypurine -1.4388332
6,8-Dihydroxypurine
ME490990
-
-
1.4388332
-
6,8-Dihydroxypurine -1.6098667
6,8-Dihydroxypurine
ME490650
-
-
1.6098667
-
6,8-Dihydroxypurine +1.617
6,8-Dihydroxypurine
ME497518
-
-
1.617
-
6,9,12,15,18-Tetracosapentaynoic acid
-
ME490651
-
-
11.820067
-
6,9,12,15,18-Tetracosapentaynoic acid +6.109
-
ME497519
-
-
6.109
-
6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxop...
-
ME497520
-
-
0.937
-
6-Acetamido-3-oxohexanoate
-
ME491107
-
C03682
1.0807273
-
6-Acetamido-3-oxohexanoate +1.0001668
-
ME492131
-
C03682
1.0001668
-
6-Acetamido-3-oxohexanoate +2.343
-
ME497526
-
C03682
2.343
-
6-Acetamido-3-oxohexanoate +2.993
-
ME497527
-
C03682
2.993
-
6-Acetamido-3-oxohexanoate +3.263
-
ME494997
-
C03682
3.263
-
(+/-)-6-Acetonyldihydrochelerythrine
-
ME493618
-
C12200
1.2686666
-
6-Acetyl-D-glucose
6-Acetylglucose
ME493812
-
C02655
3.5113332
-
6-Acetyl-D-glucose -1.076
6-Acetylglucose
ME493061
-
C02655
1.076
-
6-Acetyl-D-glucose -1.129
6-Acetylglucose
ME497528
-
C02655
1.129
-
6-Acetyl-D-glucose -1.377
6-Acetylglucose
ME497529
-
C02655
1.377
-
6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-d...
-
ME494998
-
C15381
7.432
-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
-
ME493809
-
C15658
1.201
-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol +1.349
-
ME494990
-
C15658
1.349
-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol -1.384000...
-
ME494991
-
C15658
1.3840001
-
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate
-
ME493813
-
C15256
7.3363338
-
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate ...
-
ME497530
-
C15256
7.317
-
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate ...
-
ME492527
-
C15256
7.623
-
6alpha-Fluoropregn-4-ene-3,11,20-trione
-
ME494999
-
C15327
5.7939997
-
6-Benzylaminopurine
Cytokinin B
ME497531
-
C11263
3.879
-
6-Benzylaminopurine +1.798
Cytokinin B
ME493062
-
C11263
1.798
-
6-Benzylaminopurine +1.948
Cytokinin B
ME497532
-
C11263
1.948
-
6-Benzylaminopurine +3.007
Cytokinin B
ME497533
-
C11263
3.007
-
6-Benzylaminopurine +3.015
Cytokinin B
ME497534
-
C11263
3.015
-
6-Benzylaminopurine +3.0613334
Cytokinin B
ME492132
-
C11263
3.0613334
-
6-Benzylaminopurine +3.7703335
Cytokinin B
ME493814
-
C11263
3.7703335
-
6-Benzylaminopurine +3.773
Cytokinin B
ME497535
-
C11263
3.773
-
6-Benzylaminopurine +3.8313332
Cytokinin B
ME492133
-
C11263
3.8313332
-
6-Benzylaminopurine +4.10725
Cytokinin B
ME493063
-
C11263
4.10725
-
6-Benzylaminopurine +5.2613335
Cytokinin B
ME492134
-
C11263
5.2613335
-
6-Benzylaminopurine +5.314
Cytokinin B
ME497536
-
C11263
5.314
-
6-Benzylaminopurine +5.808
Cytokinin B
ME493064
-
C11263
5.808
-
6-Bromo-2-naphthol
-
ME497537
-
C14352
0.835
-
6-bromo-5,9-hexacosadienoic acid
-
ME497538
-
-
6.823
-
6-C-Glucopyranosyl-8-C-arabinopyranosyltricin
-
ME495000
-
-
6.8135
-
6'''-Deamino-6'''-hydroxyneomycin C
-
ME497539
-
C17588
3.26
-
6'-Dehydro-6'-oxoparomamine
-
ME495001
-
C17583
4.5255003
-
6-dehydrotestosterone 17-glucosiduronic acid
6-Dehydrotestosterone 17-glucosiduronic acid
ME497540
-
-
3.475
-
6-Desmethylprazosin
-
ME497541
-
-
3.366
-
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
-
ME497542
-
-
4.719
-
6E,8E,14E-Hexadecatriene-10,12-diynoic acid
-
ME497543
-
-
1.397
-
6E-Dodecen-1-ol
-
ME497544
-
-
8.911
-
6-ethyl-dodecanoic acid
-
ME490346
-
-
12.809501
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol
-
ME491541
-
C04166
9.103375
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol +1.3034999
-
ME494636
-
C04166
1.3034999
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol +13.735
-
ME496602
-
C04166
13.735
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol -5.134
-
ME496603
-
C04166
5.134
-
6?-Hydroxy-3-oxochol-4-en-24-oic Acid
-
ME497521
-
-
10.011
-
6-Hydroxy-5-methyl-3',4',5'-trimethoxyaurone-4-O-a...
-
ME497546
-
-
4.711
-
6-hydroxy caproic acid
6-Hydroxycaproic acid
ME495002
-
C06103
3.0019999
-
6-hydroxy caproic acid +3.701
6-Hydroxycaproic acid
ME497545
-
C06103
3.701
-
6-hydroxy caproic acid +4.0365715
6-Hydroxycaproic acid
ME491827
-
C06103
4.0365715
-
6-Hydroxydexamethasone
-
ME495003
-
-
3.1365
-
6-Hydroxyindolelactate
-
ME497547
-
C05657
4.737
-
6-Hydroxyindolelactate -3.466
-
ME497548
-
C05657
3.466
-
6'?-Hydroxylovastatin
-
ME492526
-
-
5.7936
-
6'?-Hydroxylovastatin +7.79
-
ME497522
-
-
7.79
-
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside
-
ME490779
-
-
10.430715
-
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside +10.42...
-
ME495004
-
-
10.426001
-
6-Hydroxymelatonin
6-Hydroxymelatonin
ME492528
-
C05643
4.0670004
-
6-Hydroxymelatonin +3.1295
6-Hydroxymelatonin
ME495005
-
C05643
3.1295
-
6-Hydroxymelatonin +3.473
6-Hydroxymelatonin
ME497549
-
C05643
3.473
-
6'-Hydroxymethylsimvastatin
-
ME495006
-
-
6.8975
-
6-Hydroxyondansetron
-
ME497550
-
-
1.033
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate
-
ME491108
-
C04584
0.93845457
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate -3.405
-
ME495007
-
C04584
3.405
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate +4.202...
-
ME490780
-
C04584
4.202357
-
6-(Isopropylthio)purine
-
ME494992
-
C15347
1
-
6-Methylmercaptopurine
6-Methylthiopurine
ME493065
-
C16614
0.97025
-
6-Methylmercaptopurine -1.0715001
6-Methylthiopurine
ME495008
-
C16614
1.0715001
-
6-Methylmercaptopurine -4.1535
6-Methylthiopurine
ME495009
-
C16614
4.1535
-
6?-Methylprednisolone Acetate
-
ME494994
-
C08179
6.4025
-
6?-Methylprednisolone Acetate -6.614
-
ME497523
-
C08179
6.614
-
6?-Methylprednisolone Acetate -7.345
-
ME497524
-
C08179
7.345
-
6?-Methylprednisolone Acetate -7.384143
-
ME491826
-
C08179
7.384143
-
6-Methylthiopurine ribonucleotide
-
ME497551
-
C16615
4.954
-
6?-Naltrexol
-
ME494995
-
-
3.783
-
6?-Naltrexol-3-glucuronide
-
ME497525
-
-
7.58
-
6?-Naltrexol +4.773
-
ME494996
-
-
4.773
-
6-Nitrochrysene
-
ME497552
-
C19271
3.407
-
6-nonenal
-
ME493815
-
-
9.125667
-
6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
-
ME497553
-
C11535
1.205
-
6-O-Methylguanine
-
ME491575
-
-
1.7393749
-
6-O-Methylguanine +1.077
-
ME497554
-
-
1.077
-
6-O-Methylguanine +1.8257501
-
ME491576
-
-
1.8257501
-
6-Oxocineole
6-Oxocineole
ME495010
-
C00848
5.2735
-
6-(Pentylthio)purine
-
ME497510
-
C14614
1.406
-
6-(Pentylthio)purine +1.629
-
ME497511
-
C14614
1.629
-
6-(Pentylthio)purine +3.54
-
ME497512
-
C14614
3.54
-
6-piperazin-1-yl-Isoquinoline
-
ME495011
-
-
10.577499
-
(6S,9R)-Vomifoliol
(6S,9R)-Vomifoliol
ME493637
-
C01760
1.6209999
-
(6S)-dehydrovomifoliol
(6S)-Dehydrovomifoliol
ME491547
-
C02533
8.589874
-
(6S)-dehydrovomifoliol +0.9715
(6S)-Dehydrovomifoliol
ME494662
-
C02533
0.9715
-
(6S)-dehydrovomifoliol +13.435
(6S)-Dehydrovomifoliol
ME496647
-
C02533
13.435
-
(6S)-dehydrovomifoliol -8.570214
(6S)-Dehydrovomifoliol
ME490752
-
C02533
8.570214
-
(6S)-dehydrovomifoliol +8.883187
(6S)-Dehydrovomifoliol
ME490280
-
C02533
8.883187
-
6-Thiouric acid
-
ME493066
-
C16613
0.9195
-
6Z,11Z-octadecadienoic acid
-
ME497555
-
-
9.726
-
6Z,11Z-octadecadienoic acid +12.1915
-
ME495012
-
-
12.1915
-
6Z-hexadecenoic acid
Sapienic acid
ME495013
-
-
11.3015
-
6Z-hexadecenoic acid +9.741
Sapienic acid
ME497556
-
-
9.741
-
6Z-Nonen-1-ol
-
ME497557
-
-
8.904
-
7?,12?-Dihydroxy-5?-cholan-24-oic Acid
-
ME493067
-
-
9.31275
-
7,12-Dimethylbenz[a]anthracene
-
ME497560
-
C19488
3.968
-
7,12-Dimethylbenz[a]anthracene 5,6-oxide
-
ME497561
-
C19604
7.159
-
7-[2-Trifluoromethyl-4-(2-hydroxyphenyl)-1,3-dioxa...
-
ME497566
-
-
4.933
-
7-(3-Methylbut-2-enyl)-L-tryptophan
-
ME495014
-
C19767
7.3995
-
7-(3-Methylbut-2-enyl)-L-tryptophan +3.155
-
ME497558
-
C19767
3.155
-
7-(3-Methylbut-2-enyl)-L-tryptophan +4.178
-
ME497559
-
C19767
4.178
-
7,8,7',8'-Tetradehydroastaxanthin
-
ME497562
-
-
13.72
-
7,8-Dihydro-14-hydroxynormorphine
-
ME493816
-
-
3.9883335
-
7,8-Dihydro-14-hydroxynormorphine +6.026
-
ME497563
-
-
6.026
-
7,8-Dihydro-14-hydroxynormorphine +6.394
-
ME495015
-
-
6.394
-
7,8-Dihydropyrene-7-carboxylate
-
ME497564
-
C18274
3.211
-
7,9,13,17-tetramethyl-7S,14S-dihydroxy-2E,4E,8E,10...
-
ME495016
-
-
9.6675
-
7alpha-Hydroxytestololactone
-
ME497567
-
C15351
1.393
-
7-Aminonitrazepam
7-Aminonitrazepam
ME493068
-
-
1.39275
-
7-Aminonitrazepam +0.965
7-Aminonitrazepam
ME497568
-
-
0.965
-
(+)-7beta-Hydroxy-15-beyeren-19-oic acid
-
ME493614
-
-
7.6646667
-
(+)-7beta-Hydroxy-15-beyeren-19-oic acid +11.864
-
ME496589
-
-
11.864
-
(+)-7beta-Hydroxy-15-beyeren-19-oic acid +9.01525
-
ME492938
-
-
9.01525
-
7-Chloroethyltheophylline
-
ME497569
-
-
1.148
-
7-Cyano-7-deazaguanine
7-Cyano-7-deazaguanine
ME495017
-
C15996
1.331
-
7-Deoxyloganate
-
ME493818
-
C11636
1.1393334
-
7-Deoxyloganate +1.209
-
ME497570
-
C11636
1.209
-
7-Epiloganin tetraacetate
-
ME497571
-
C11662
7.275
-
7H-Dibenzo[c,g]carbazole
-
ME495018
-
C19221
1.399
-
7H-Dibenzo[c,g]carbazole +3.166
-
ME497572
-
C19221
3.166
-
7H-Dibenzo[c,g]carbazole +4.721
-
ME497573
-
C19221
4.721
-
7?-Hydroxy-3-oxochola-1,4-dien-24-oic Acid
-
ME493817
-
-
9.159333
-
7?-Hydroxy-3-oxochola-1,4-dien-24-oic Acid -9.144
-
ME497565
-
-
9.144
-
7?-Hydroxy-5?-cholan-24-oic Acid
-
ME490890
-
-
11.955077
-
7-Hydroxyrisperidone
-
ME497574
-
-
2.263
-
7-keto-n-caprylic acid
-
ME497575
-
-
4.267
-
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1...
-
ME497576
-
C15060
6.177
-
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1...
-
ME497577
-
C15060
1.629
-
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1...
-
ME497578
-
C15060
6.374
-
7-Methylinosine
-
ME495019
-
-
1.3875
-
7-Methyl lauric acid
-
ME491828
-
-
9.990858
-
7-Methylthioheptyl glucosinolate
-
ME497579
-
C17252
3.138
-
7-Methylxanthine
7-Methylxanthine
ME491395
-
C16353
3.3155556
-
7-Methylxanthine -3.3013334
7-Methylxanthine
ME491396
-
C16353
3.3013334
-
7-Methylxanthine -5.6036663
7-Methylxanthine
ME492135
-
C16353
5.6036663
-
7-Methylxanthosine
7-Methylxanthosine
ME497580
-
C16352
3.663
-
7-nonynoic acid
-
ME492529
-
-
5.6039996
-
7-nonynoic acid +5.223
-
ME497581
-
-
5.223
-
7-octenoic acid
-
ME491240
-
-
4.2355
-
7-Octenoic acid, 5-oxo-
5-Oxo-7-octenoic acid
ME493819
-
-
1.3943334
-
7-Octenoic acid, 5-oxo- +1.317
5-Oxo-7-octenoic acid
ME497582
-
-
1.317
-
7-Octenoic acid, 5-oxo- +5.233
5-Oxo-7-octenoic acid
ME497583
-
-
5.233
-
7-O-Demethylterazosin
-
ME495020
-
-
3.949
-
7-Oxoheptanoic acid
-
ME491241
-
C16590
1.1984
-
7-Oxoheptanoic acid +0.955
-
ME492136
-
C16590
0.955
-
7-Oxoheptanoic acid +1.3752857
-
ME491829
-
C16590
1.3752857
-
7-Oxoheptanoic acid +1.394
-
ME497584
-
C16590
1.394
-
7-Oxoheptanoic acid -3.263
-
ME495021
-
C16590
3.263
-
7-Oxoheptanoic acid +3.524
-
ME497585
-
C16590
3.524
-
7-Oxoheptanoic acid +3.847
-
ME497586
-
C16590
3.847
-
7-Sulfocholic acid
7-Sulfocholic acid
ME491397
-
-
7.1735554
-
7-Sulfocholic acid -7.0975
7-Sulfocholic acid
ME495022
-
-
7.0975
-
7-Sulfocholic acid -7.2156663
7-Sulfocholic acid
ME492137
-
-
7.2156663
-
7-Sulfocholic acid -7.4566
7-Sulfocholic acid
ME492530
-
-
7.4566
-
7-Sulfocholic acid -7.5332003
7-Sulfocholic acid
ME492531
-
-
7.5332003
-
7-Tridecenoic acid; C13:1n-6
-
ME497587
-
-
0.944
-
7-Tridecenoic acid; C13:1n-6 +10.239
-
ME497588
-
-
10.239
-
8,11,14-nonadecatriynoic acid
-
ME497589
-
-
11.297
-
8,15-dihydroperoxy-5,9,11,13-eicosatetraenoic acid
8,15-DiHPETE
ME497590
-
-
7.377
-
(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyfl...
-
ME496573
-
-
3.984
-
8,2'-Dimethoxyflavone
-
ME497591
-
-
5.191
-
8?-3?-hydroxy-estra-1,3,5(10)-trien-17-one
-
ME493820
-
-
4.323666
-
8-(5-hexyl-furan-2-yl)-octanoic acid
-
ME492138
-
C13798
11.806
-
8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol
-
ME495023
-
-
3.6005
-
8,9-dihydroxy-5,11,14-eicosatrienoic acid
-
ME497592
-
-
9.725
-
8,9-dihydroxy-5,11,14-eicosatrienoic acid +7.093
-
ME497593
-
-
7.093
-
8-Azaadenosine
8-Azaadenosine
ME497594
-
C11265
4.095
-
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(b...
-
ME493822
-
-
1.395
-
8-Bromoadenosine
-
ME497595
-
C11266
3.671
-
8-C-p-Hydroxybenzylkaempferol
-
ME497596
-
-
6.74
-
8-Dimethylallyllisetin
-
ME491830
-
-
3.3291428
-
8E,10E-Pentadecadienyl acetate
-
ME493823
-
-
1.094
-
8E-Heptadecenedioic acid
8E-Heptadecenedioic acid
ME492532
-
-
11.5198
-
8E-Heptadecenedioic acid +11.581
8E-Heptadecenedioic acid
ME495024
-
-
11.581
-
8-Epideoxyloganin
-
ME497597
-
C11648
5.02
-
8-Epiiridodial glucoside tetraacetate
-
ME497598
-
C11658
3.31
-
8-Epiiridotrial glucoside
8-Epiiridotrial glucoside
ME497599
-
C11652
8.815
-
8-Epiiridotrial glucoside +1.632
8-Epiiridotrial glucoside
ME497600
-
C11652
1.632
-
(±)8-gingerol
-
ME491542
-
-
11.994123
-
(8)-Gingerol
-
ME496648
-
C17495
3.605
-
(8)-Gingerol +10.237
-
ME496649
-
C17495
10.237
-
(8)-Gingerol -6.614
-
ME496650
-
C17495
6.614
-
8-Hydroxy-7-methylguanine
8-Hydroxy-7-methylguanine
ME491398
-
-
3.0201113
-
8-Hydroxy-7-methylguanine +3.0308573
8-Hydroxy-7-methylguanine
ME491832
-
-
3.0308573
-
8-Hydroxyadenine
8-Hydroxyadenine
ME491242
-
-
3.0957
-
8-Hydroxyadenine +1.384
8-Hydroxyadenine
ME497601
-
-
1.384
-
8-Hydroxyadenine +2.998
8-Hydroxyadenine
ME497602
-
-
2.998
-
8-hydroxy caprylic acid
8-Hydroxyoctanoic acid
ME491831
-
-
4.2554283
-
8-hydroxy caprylic acid +3.854
8-Hydroxyoctanoic acid
ME495025
-
-
3.854
-
8-hydroxy caprylic acid +4.2195
8-Hydroxyoctanoic acid
ME495026
-
-
4.2195
-
8?-Hydroxycarapin, 3,8-Hemiacetal
-
ME493821
-
-
3.3466666
-
8-Hydroxyclomipramine
-
ME497603
-
-
3.47
-
8-Hydroxyclomipramine +1.4000001
-
ME493069
-
-
1.4000001
-
8'-Hydroxydihydroergotamine
-
ME497604
-
-
6.246
-
8-Methoxykynurenate
-
ME495027
-
C05830
1.6240001
-
8-methylcaffeine
-
ME493824
-
-
1.6526666
-
8-methylcaffeine +1.137
-
ME497605
-
-
1.137
-
8-methylcaffeine +1.147
-
ME497606
-
-
1.147
-
8-methylcaffeine +2.298
-
ME497607
-
-
2.298
-
8-methylcaffeine +3.18
-
ME497608
-
-
3.18
-
8-methylcaffeine +3.6057777
-
ME491399
-
-
3.6057777
-
8-Oxocoformycin
-
ME497609
-
C02243
1.334
-
8-Oxocoformycin +1.174
-
ME497610
-
C02243
1.174
-
8-Oxocoformycin -1.221
-
ME497611
-
C02243
1.221
-
8-Oxodeoxycoformycin
8-Oxodeoxycoformycin
ME497612
-
C02957
1.72
-
8S,15S-DiHETE
8S,15S-DiHETE
ME497613
-
-
9.063
-
8S,15S-DiHETE +3.496
8S,15S-DiHETE
ME497614
-
-
3.496
-
8-tridecynoic acid
-
ME497615
-
-
9
-
8Z-heptadecenoic acid
8Z-Heptadecenoic acid
ME491243
-
-
11.8765
-
8Z-heptadecenoic acid +1.0853332
8Z-Heptadecenoic acid
ME493825
-
-
1.0853332
-
8Z-heptadecenoic acid +12.31
8Z-Heptadecenoic acid
ME497616
-
-
12.31
-
8Z-heptadecenoic acid -13.0085
8Z-Heptadecenoic acid
ME495028
-
-
13.0085
-
8Z-undecenoic acid
-
ME497617
-
-
8.362
-
9,10-Dihydrokadsurenone
-
ME495029
-
C11053
3.4155
-
9,10-Dihydroxy-12,13-epoxyoctadecanoate
-
ME497618
-
C14837
10.42
-
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid
-
ME495030
-
-
10.016
-
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid...
-
ME497619
-
-
10.416
-
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid...
-
ME495031
-
-
13.754
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid
-
ME493826
-
C14834
10.511666
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid -10.574
-
ME497622
-
C14834
10.574
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid +10.86
-
ME497620
-
C14834
10.86
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid +10.876...
-
ME492533
-
C14834
10.8766
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid +5.844
-
ME497621
-
C14834
5.844
-
9,10-epoxy-13-oxo-11-octadecenoic acid
-
ME497623
-
-
7.481
-
9,10-Epoxy-18-hydroxystearate
-
ME495032
-
C19620
10.1055
-
9,10-Epoxy-18-hydroxystearate -10.275
-
ME497624
-
C19620
10.275
-
9,12-dioxo-dodecanoic acid
9,12-Dioxo-dodecanoic acid
ME490991
-
-
5.4234996
-
9,12-dioxo-dodecanoic acid -4.94
9,12-Dioxo-dodecanoic acid
ME497626
-
-
4.94
-
9,12-dioxo-dodecanoic acid +4.95
9,12-Dioxo-dodecanoic acid
ME497625
-
-
4.95
-
9,12-dioxo-dodecanoic acid +5.2725005
9,12-Dioxo-dodecanoic acid
ME492139
-
-
5.2725005
-
9,12-dioxo-dodecanoic acid -5.3245
9,12-Dioxo-dodecanoic acid
ME495033
-
-
5.3245
-
9,12-dioxo-dodecanoic acid -5.4215994
9,12-Dioxo-dodecanoic acid
ME492534
-
-
5.4215994
-
9,12-dioxo-dodecanoic acid +6.4750004
9,12-Dioxo-dodecanoic acid
ME492140
-
-
6.4750004
-
9,12-dioxo-dodecanoic acid +7.5603
9,12-Dioxo-dodecanoic acid
ME491244
-
-
7.5603
-
9,12-dioxo-dodecanoic acid -7.775
9,12-Dioxo-dodecanoic acid
ME497627
-
-
7.775
-
9,12-dioxo-dodecanoic acid -9.11975
9,12-Dioxo-dodecanoic acid
ME493070
-
-
9.11975
-
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
-
ME495034
-
-
7.733
-
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid +10....
-
ME495035
-
-
10.48
-
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid +10....
-
ME495036
-
-
10.563
-
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid -7.8...
-
ME497628
-
-
7.835
-
9,14-dihydroxy-octadecanoic acid
-
ME493827
-
-
10.652667
-
9,14-dihydroxy-octadecanoic acid -10.889223
-
ME491400
-
-
10.889223
-
9a-Fluorotetrahydrocortisol
-
ME497629
-
-
1.397
-
9a-Fluorotetrahydrocortisol +3.442
-
ME497630
-
-
3.442
-
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydro...
-
ME495037
-
C14638
8.2075
-
9-Aminoacridine
-
ME497631
-
-
1.089
-
9-Fluoro-11beta,17beta-dihydroxy-16alpha-methyland...
-
ME495038
-
C15092
3.918
-
9-Fluoroprednisolone
-
ME497632
-
C14484
3.279
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid
-
ME493828
-
-
9.252334
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497633
-
-
10.415
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497634
-
-
10.609
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME491833
-
-
13.442143
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME491401
-
-
13.733667
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497635
-
-
13.737
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME492535
-
-
14.107201
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497637
-
-
6.042
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497638
-
-
6.253
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497636
-
-
6.811
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME497639
-
-
7.47
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME495039
-
-
7.4835
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME491577
-
-
7.621625
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME491402
-
-
7.6407776
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME493829
-
-
9.735001
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME495040
-
-
9.7985
-
9-hydroxy-16-oxo-hexadecanoic acid
-
ME495041
-
-
9.8015
-
9-hydroxy-16-oxo-hexadecanoic acid -10.594777
-
ME491403
-
-
10.594777
-
9-hydroxy-16-oxo-hexadecanoic acid +10.604
-
ME497640
-
-
10.604
-
9-hydroxy-16-oxo-hexadecanoic acid +10.609
-
ME497641
-
-
10.609
-
9-hydroxy-16-oxo-hexadecanoic acid +12.447687
-
ME490347
-
-
12.447687
-
9-hydroxy-16-oxo-hexadecanoic acid +8.521
-
ME497642
-
-
8.521
-
9-Hydroxybenzo[a]pyrene-4,5-oxide
-
ME497643
-
C14854
3.685
-
9-hydroxy-decanoic acid
-
ME497644
-
-
6.213
-
9-hydroxy-hexadecan-1,16-dioic acid
xi-8-Hydroxyhexadecanedioic acid
ME492536
-
-
8.007
-
9-hydroxy-hexadecan-1,16-dioic acid -7.9709997
xi-8-Hydroxyhexadecanedioic acid
ME495043
-
-
7.9709997
-
9-hydroxy-hexadecan-1,16-dioic acid +8.031
xi-8-Hydroxyhexadecanedioic acid
ME495042
-
-
8.031
-
9-Hydroxyrisperidone
-
ME492537
-
-
6.8384004
-
9-Hydroxyrisperidone -6.996571
-
ME491834
-
-
6.996571
-
9-Hydroxyrisperidone -7.1316667
-
ME493830
-
-
7.1316667
-
9-Hydroxyrisperidone -7.472
-
ME497645
-
-
7.472
-
9-Hydroxyrisperidone -7.711
-
ME497646
-
-
7.711
-
9-Hydroxyrisperidone -7.875
-
ME495044
-
-
7.875
-
9-O-Demethyl-2alpha-hydroxyhomolycorine
-
ME493071
-
C12239
4.645
-
9R,10S,18-trihydroxy-stearic acid
-
ME497647
-
-
9.236
-
9R,10S,18-trihydroxy-stearic acid +10.415
-
ME497648
-
-
10.415
-
9R,10S,18-trihydroxy-stearic acid +10.6075
-
ME495045
-
-
10.6075
-
9R,10S,18-trihydroxy-stearic acid +7.654
-
ME497649
-
-
7.654
-
9R,10S,18-trihydroxy-stearic acid -7.81
-
ME497652
-
-
7.81
-
9R,10S,18-trihydroxy-stearic acid +7.822
-
ME497650
-
-
7.822
-
9R,10S,18-trihydroxy-stearic acid +8.394
-
ME497651
-
-
8.394
-
(9R,13R)-1a,1b-dihomo-jasmonic acid
-
ME496651
-
-
2.993
-
(9R,13R)-1a,1b-dihomo-jasmonic acid -9.66
-
ME493638
-
-
9.66
-
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
-
ME497653
-
-
5.026
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME491404
-
-
8.042667
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +10.41...
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME497654
-
-
10.412
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +10.60...
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME497655
-
-
10.603
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +7.539
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME497656
-
-
7.539
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +8.117
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME497657
-
-
8.117
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +8.294
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME497658
-
-
8.294
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +9.679
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME497659
-
-
9.679
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +9.736...
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME495046
-
-
9.7365
-
9S,12S,13S-trihydroxy-10E-octadecenoic acid
9,12,13-TriHOME
ME492538
-
C14833
8.0164
-
9S,12S,13S-trihydroxy-10E-octadecenoic acid -7.527
9,12,13-TriHOME
ME497660
-
C14833
7.527
-
9S,12S,13S-trihydroxy-10E-octadecenoic acid -8.062
9,12,13-TriHOME
ME495047
-
C14833
8.062
-
(9S,13S)-10-oxo-11-phytoenoic acid
-
ME496652
-
-
7.539
-
(9S,13S)-10-oxo-11-phytoenoic acid +13.735
-
ME496653
-
-
13.735
-
(9S,13S)-10-oxo-11-phytoenoic acid +8.044
-
ME496654
-
-
8.044
-
9-tridecynoic acid
-
ME497661
-
-
6.865
-
9-tridecynoic acid +10.117
-
ME497662
-
-
10.117
-
9-tridecynoic acid +8.777
-
ME497663
-
-
8.777
-
9-tridecynoic acid +8.795
-
ME497664
-
-
8.795
-
9Z,11-Dodecadien-1-ol
-
ME493072
-
-
0.95825005
-
9Z,11-Dodecadien-1-ol +10.6035
-
ME495048
-
-
10.6035
-
9Z,12E,15Z-octadecatrienoic acid
-
ME491109
-
-
13.4400015
-
A 80987
-
ME491578
-
C15661
12.98475
-
A 80987 +12.977
-
ME497665
-
C15661
12.977
-
A 80987 +13.44675
-
ME493073
-
C15661
13.44675
-
A 80987 +13.735001
-
ME491245
-
C15661
13.735001
-
Abacavir
Abacavir
ME497666
-
C07624
1.263
-
Abacavir +1.107
Abacavir
ME497667
-
C07624
1.107
-
Abacavir +1.3986667
Abacavir
ME493831
-
C07624
1.3986667
-
Absinthin
Absinthin
ME497668
-
C09286
10.145
-
ABT-869
-
ME497669
-
-
1.391
-
Abu-His-OH
-
ME497670
-
-
1.118
-
Abu-His-OH -1.388
-
ME497671
-
-
1.388
-
Abyssinoflavanone IV
-
ME497672
-
-
5.983
-
Abyssinoflavanone IV -6.698
-
ME497673
-
-
6.698
-
Abyssinoflavanone VI
-
ME491835
-
-
9.454429
-
(Ac)2-L-Lys-D-Ala
(Ac)2-L-Lys-D-Ala
ME496655
-
C02487
3.605
-
Acalyphin
Acalyphin
ME495049
-
C08324
1.6394999
-
Acalyphin -1.61
Acalyphin
ME497674
-
C08324
1.61
-
Acamprosate
Acamprosate
ME492539
-
-
1.3862001
-
Acarbose (M8)
-
ME491246
-
-
0.94220006
-
Acarbose (M8) +1.3975
-
ME495050
-
-
1.3975
-
Acarbose (M8) +3.093
-
ME497675
-
-
3.093
-
Acarbose (M8) +4.509
-
ME497676
-
-
4.509
-
Acebutolol
Acebutolol
ME497677
-
C06803
4.696
-
Acebutolol +4.1730003
Acebutolol
ME495051
-
C06803
4.1730003
-
Acebutolol +5.1855
Acebutolol
ME495052
-
C06803
5.1855
-
Acesulfame-K
-
ME497678
-
-
2.828
-
Acesulfame-K +0.839
-
ME495053
-
-
0.839
-
Acetic acid
Acetic acid
ME493832
-
C00033
0.94600004
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME497679
-
C02659
1.084
-
Acetone cyanohydrin -1.3870001
2-Hydroxy-2-methylpropanenitrile
ME495054
-
C02659
1.3870001
-
Acetophenazine
Acetophenazine
ME490348
-
C06807
3.339625
-
Acetosyringone
Acetosyringone
ME497680
-
C10664
5.783
-
Acetylagmatine
Acetylagmatine
ME497681
-
C02131
3.035
-
Acetylagmatine +1.765
Acetylagmatine
ME497682
-
C02131
1.765
-
Acetylblasticidin S
Acetylblasticidin S
ME493834
-
C02808
9.991333
-
Acetylcholine
Acetylcholine
ME490349
-
C01996
1.0855
-
Acetylcholine +1.187
Acetylcholine
ME497683
-
C01996
1.187
-
Acetyl-DL-Valine
-
ME497684
-
-
3.767
-
Acetylenedicarboxylate
Acetylenedicarboxylate
ME490350
-
C03248
0.87206244
-
Acetylenedicarboxylate -0.91028565
Acetylenedicarboxylate
ME491836
-
C03248
0.91028565
-
Acetylenic acids
-
ME491579
-
-
1.6238749
-
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid...
-
ME490891
-
-
10.743307
-
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid...
-
ME490351
-
-
10.724501
-
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid...
-
ME497687
-
-
3.778
-
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-...
-
ME495055
-
-
4.2525
-
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-...
-
ME491405
-
-
11.430332
-
Acetylenic acids +1.678
-
ME497685
-
-
1.678
-
Acetylenic acids +3.583
-
ME497686
-
-
3.583
-
Acetyleugenol
-
ME493074
-
C14567
5.382
-
Acetylhydrazinopthalazinone
-
ME497688
-
-
3.134
-
Acetylisoniazid
Acetylisoniazid
ME497689
-
C07585
1.394
-
Acetylisoniazid +1.396
Acetylisoniazid
ME497690
-
C07585
1.396
-
Acetyllycopsamine
-
ME492540
-
C16751
9.0154
-
Acetyl Podocarpic Acid Anhydride
-
ME493833
-
-
3.389
-
Acetylpseudotropine
-
ME497691
-
C12453
4.101
-
Acetylpyruvate
-
ME497692
-
C02132
0.953
-
Acetylpyruvate -1.3829999
-
ME495056
-
C02132
1.3829999
-
Acetylshikonin
-
ME491837
-
C17413
6.145571
-
Acetylshikonin -5.121
-
ME497694
-
C17413
5.121
-
Acetylshikonin +5.8265
-
ME493075
-
C17413
5.8265
-
Acetylshikonin +5.944
-
ME497693
-
C17413
5.944
-
Acetyltryptophanamide
-
ME497695
-
-
3.342
-
Acinoside
-
ME490992
-
-
13.153501
-
Acitretin
-
ME497696
-
-
4.799
-
Acitretin +4.535
-
ME497697
-
-
4.535
-
Acitretin +5.05025
-
ME493076
-
-
5.05025
-
Acitretin Ro 23-4750
-
ME497698
-
-
1.622
-
Aclacinomycin S
-
ME490352
-
C18635
12.844124
-
Aclarubicin
-
ME497699
-
C18638
0.894
-
Acremoauxin A
Acremoauxin A
ME493077
-
C08468
4.3705
-
Acremoauxin A +4.6759996
Acremoauxin A
ME495057
-
C08468
4.6759996
-
Acrophylline
-
ME497700
-
C10634
3.267
-
Actinidine
Actinidine
ME492541
-
C09910
0.96459997
-
Actinidine +1.397
Actinidine
ME497701
-
C09910
1.397
-
Ac-Tyr-OEt
N-Acetyltyrosine
ME490652
-
C01657
10.040201
-
Ac-Tyr-OEt +1.6259999
N-Acetyltyrosine
ME495058
-
C01657
1.6259999
-
Ac-Tyr-OEt +3.264
N-Acetyltyrosine
ME497702
-
C01657
3.264
-
Ac-Tyr-OEt +3.4921668
N-Acetyltyrosine
ME492141
-
C01657
3.4921668
-
Ac-Tyr-OEt +3.5585
N-Acetyltyrosine
ME495059
-
C01657
3.5585
-
Ac-Tyr-OEt +3.766
N-Acetyltyrosine
ME497703
-
C01657
3.766
-
Ac-Tyr-OEt +4.19
N-Acetyltyrosine
ME497704
-
C01657
4.19
-
Ac-Tyr-OEt +4.508
N-Acetyltyrosine
ME497705
-
C01657
4.508
-
Ac-Tyr-OEt +4.726
N-Acetyltyrosine
ME493835
-
C01657
4.726
-
Adenine
Adenine
ME493078
-
C00147
1.3987501
-
Aerobactin
Aerobactin
ME497706
-
C05554
3.096
-
Aerobactin -6.809
Aerobactin
ME497707
-
C05554
6.809
-
AF-2
-
ME491247
-
C19558
1.3884001
-
AF-2 -1.609
-
ME491838
-
C19558
1.609
-
Aflatoxin B1exo-8,9-epoxide-GSH
Aflatoxin B1exo-8,9-epoxide-GSH
ME495060
-
C11278
6.791
-
Aflatoxin B1exo-8,9-epoxide-GSH +13.646
Aflatoxin B1exo-8,9-epoxide-GSH
ME497708
-
C11278
13.646
-
AFMK
Acetyl-N-formyl-5-methoxykynurenamine
ME495061
-
C05642
4.677
-
Afrormosin 7-O-(6''-malonylglucoside)
-
ME493079
-
-
3.6367502
-
AG-1296
-
ME497709
-
-
4.944
-
AG-1296 +3.194
-
ME497710
-
-
3.194
-
AG-1296 +6.511
-
ME497711
-
-
6.511
-
AG-183
-
ME495062
-
-
3.0904999
-
AG-370
-
ME492142
-
-
3.4901667
-
AG-370 +1.0009999
-
ME493080
-
-
1.0009999
-
AG-370 +3.371
-
ME497712
-
-
3.371
-
AG-99
-
ME495063
-
-
3.994
-
Agaritine
-
ME495064
-
C01550
1.0005
-
Agaritine +1.6316667
-
ME493836
-
C01550
1.6316667
-
AGC
-
ME497713
-
-
1.621
-
Agecorynin D
-
ME495065
-
-
3.4229999
-
Agomelatine
Agomelatine
ME493837
-
-
0.93899995
-
Agomelatine +4.6025
Agomelatine
ME495066
-
-
4.6025
-
Ajmaline
Ajmaline
ME497714
-
C06542
5.053
-
ajugalactone
-
ME497715
-
C08810
7.343
-
ajugalactone -7.16
-
ME495067
-
C08810
7.16
-
ajugalactone -7.6295
-
ME495068
-
C08810
7.6295
-
ajugalactone -7.722
-
ME493838
-
C08810
7.722
-
Akeboside Ste
-
ME495069
-
C17548
7.78
-
Akeboside Ste -9.059
-
ME497716
-
C17548
9.059
-
Akeboside Ste +9.078
-
ME495070
-
C17548
9.078
-
Aknadicine
Aknadicine
ME497717
-
C09325
3.254
-
AK-toxin I
AK toxin I
ME497718
-
C16787
6.889
-
AK-toxin I -6.929
AK toxin I
ME495071
-
C16787
6.929
-
AL 6598
-
ME495072
-
-
10.6075
-
Ala Ala Arg
Ala-Ala-Arg
ME492542
-
-
5.2734003
-
Ala Ala His
Ala-Ala-His
ME497719
-
-
1.624
-
Ala-Ala-OH
-
ME497749
-
-
1.361
-
Ala Ala Pro
Ala-Ala-Pro
ME493081
-
-
3.1885
-
Ala Ala Pro +3.224
Ala-Ala-Pro
ME497720
-
-
3.224
-
Ala Ala Ser
Ala-Ala-Ser
ME497721
-
-
1.097
-
Ala Asn Asn
Ala-Asn-Asn
ME497722
-
-
3.645
-
Ala Asn Val
Ala-Asn-Val
ME495073
-
-
5.8945
-
Ala Asn Val +3.232
Ala-Asn-Val
ME497723
-
-
3.232
-
Ala Asp Ala
Ala-Asp-Ala
ME490892
-
-
1.1195384
-
Ala Gly Leu
Ala-Gly-Leu
ME497724
-
-
3.1
-
Ala Gly Leu +3.421
Ala-Gly-Leu
ME497725
-
-
3.421
-
Ala Gly Leu +3.5762498
Ala-Gly-Leu
ME493082
-
-
3.5762498
-
Ala Gly Leu +3.7154999
Ala-Gly-Leu
ME493083
-
-
3.7154999
-
Ala His His
Ala-His-His
ME495074
-
-
1.4
-
Ala His His +1.669
Ala-His-His
ME497726
-
-
1.669
-
Ala Ile Arg
Ala-Ile-Arg
ME490781
-
-
12.842285
-
Ala Ile Ile
Ala-Ile-Ile
ME495075
-
-
4.5455
-
Ala Ile Ile +3.861
Ala-Ile-Ile
ME497727
-
-
3.861
-
Ala Lys Cys
Ala-Lys-Cys
ME493839
-
-
3.9950001
-
Ala Lys Lys
Ala-Lys-Lys
ME497728
-
-
3.154
-
Alamarine
-
ME497750
-
C09326
5.426
-
Alangicine
-
ME497751
-
C09327
5.748
-
Alanopine
-
ME495081
-
C03210
0.98399997
-
Alanopine +1.402
-
ME495082
-
C03210
1.402
-
Alanylclavam
-
ME497752
-
C17360
1.614
-
?-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME496681
-
C05340
0.936
-
Ala Phe Ala
Ala-Phe-Ala
ME493840
-
-
5.0253334
-
Ala Phe Ala +4.436
Ala-Phe-Ala
ME497729
-
-
4.436
-
Ala Phe Ala +5.032
Ala-Phe-Ala
ME497730
-
-
5.032
-
Ala Phe Gln
Ala-Phe-Gln
ME492143
-
-
3.0848331
-
Ala Pro
Ala-Pro
ME491580
-
-
1.182125
-
Ala Pro Asn
Ala-Pro-Asn
ME493841
-
-
1.3953333
-
Ala Pro Asn +1.113
Ala-Pro-Asn
ME497731
-
-
1.113
-
Ala Pro Asn +3.096
Ala-Pro-Asn
ME497732
-
-
3.096
-
Ala Pro Val
Ala-Pro-Val
ME495076
-
-
1.2715
-
Ala Pro Val +3.966
Ala-Pro-Val
ME495077
-
-
3.966
-
Ala Ser Gln
Ala-Ser-Gln
ME497733
-
-
5.849
-
Ala Ser Ile
Ala-Ser-Ile
ME497734
-
-
3.11
-
Ala Ser Ile -3.091
Ala-Ser-Ile
ME497737
-
-
3.091
-
Ala Ser Ile +3.763
Ala-Ser-Ile
ME497735
-
-
3.763
-
Ala Ser Ile +3.85
Ala-Ser-Ile
ME497736
-
-
3.85
-
Ala Ser Pro
Ala-Ser-Pro
ME497738
-
-
3.005
-
Ala Ser Val
Ala-Ser-Val
ME491406
-
-
1.393111
-
Ala Ser Val +1.6235
Ala-Ser-Val
ME495078
-
-
1.6235
-
Ala Ser Val +1.626
Ala-Ser-Val
ME493842
-
-
1.626
-
Ala Thr His
Ala-Thr-His
ME497739
-
-
4.263
-
Ala Thr Leu
Ala-Thr-Leu
ME497740
-
-
3.708
-
Ala Thr Leu +3.796
Ala-Thr-Leu
ME497741
-
-
3.796
-
Ala Thr Phe
Ala-Thr-Phe
ME493843
-
-
1.0026666
-
alatolide
-
ME497753
-
C09290
6.637
-
Ala Trp
Ala-Trp
ME497742
-
-
3.26
-
Ala Trp +3.9575
Ala-Trp
ME495079
-
-
3.9575
-
Ala Trp +4.1359997
Ala-Trp
ME495080
-
-
4.1359997
-
Ala Trp Arg
Ala-Trp-Arg
ME497743
-
-
11.56
-
Ala Trp Ser
Ala-Trp-Ser
ME490353
-
-
7.033375
-
Ala Tyr Phe
Ala-Tyr-Phe
ME497744
-
-
3.412
-
Ala Val Lys
Ala-Val-Lys
ME497745
-
-
1.324
-
Ala Val Lys +1.625
Ala-Val-Lys
ME497746
-
-
1.625
-
Ala Val Phe
Ala-Val-Phe
ME497747
-
-
3.062
-
Ala Val Phe +4.109
Ala-Val-Phe
ME497748
-
-
4.109
-
albendazole (IV) 1H-Benzimidazol-2-amine
-
ME497754
-
C16627
4.057
-
albendazole sulfone
-
ME497755
-
C02809
4.227
-
Aldoifosfamide
-
ME493844
-
C16556
0.9623334
-
Alfentanil
Alfentanil
ME493084
-
C08005
8.1987505
-
Alfentanil -6.707
Alfentanil
ME497756
-
C08005
6.707
-
Alfentanil -6.903
Alfentanil
ME497757
-
C08005
6.903
-
Alfentanil -7.187
Alfentanil
ME493845
-
C08005
7.187
-
Alfentanil -7.292
Alfentanil
ME497758
-
C08005
7.292
-
Alfentanil -7.766
Alfentanil
ME497759
-
C08005
7.766
-
Alfentanil -7.8500004
Alfentanil
ME495083
-
C08005
7.8500004
-
Alfentanil -8.154
Alfentanil
ME497760
-
C08005
8.154
-
Alfentanil -9.0605
Alfentanil
ME495084
-
C08005
9.0605
-
Allantoate
Allantoic acid
ME493846
-
C00499
0.95933336
-
Alliogenin
-
ME497761
-
-
6.77
-
Allogibberic acid
Allogibberic acid
ME495085
-
C09061
1.625
-
Allogibberic acid +3.2175002
Allogibberic acid
ME495086
-
C09061
3.2175002
-
Allogibberic acid +3.6
Allogibberic acid
ME497762
-
C09061
3.6
-
Allopumiliotoxin 267A
-
ME491839
-
C20034
10.2181425
-
Allopumiliotoxin 267A +0.931
-
ME497763
-
C20034
0.931
-
Allopumiliotoxin 267A +10.211
-
ME497764
-
C20034
10.211
-
Allopumiliotoxin 267A +5.698
-
ME497765
-
C20034
5.698
-
Allopumiliotoxin 267A +8.249
-
ME497766
-
C20034
8.249
-
allopurinol
Allopurinol
ME490993
-
C06816
1.40075
-
allopurinol +1.6051251
Allopurinol
ME490354
-
C06816
1.6051251
-
allopurinol +2.8923333
Allopurinol
ME493847
-
C06816
2.8923333
-
allopurinol +3.0878463
Allopurinol
ME490893
-
C06816
3.0878463
-
Allosamidine
-
ME497767
-
C05346
8.727
-
Allosamidine +3.333
-
ME497768
-
C05346
3.333
-
Allosamidine -6.9235
-
ME495087
-
C05346
6.9235
-
Alloxydim
-
ME490355
-
C18772
10.69
-
all-trans-Dehydroretinal
All-trans-dehydroretinal
ME497769
-
C05918
9.261
-
all-trans-Dehydroretinal +8.6905
All-trans-dehydroretinal
ME493085
-
C05918
8.6905
-
all-trans-hexaprenyl diphosphate
-
ME490356
-
C01230
5.3835
-
all-trans-hexaprenyl diphosphate +5.2238336
-
ME492144
-
C01230
5.2238336
-
all-trans-hexaprenyl diphosphate +5.54475
-
ME491581
-
C01230
5.54475
-
all-trans-hexaprenyl diphosphate +6.033
-
ME497770
-
C01230
6.033
-
all-trans-nonaprenyl diphosphate
All-trans-nonaprenyl diphosphate
ME497771
-
C04145
6.097
-
all-trans-pentaprenyl diphosphate
All-trans-pentaprenyl diphosphate
ME497772
-
C04217
8.168
-
Allyl chloride
-
ME497773
-
C19316
3.241
-
Allyxycarb
-
ME493848
-
C18947
8.954333
-
Allyxycarb -6.6863327
-
ME490994
-
C18947
6.6863327
-
Almotriptan
-
ME497774
-
D02824
1.051
-
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol
-
ME495090
-
C19581
3.2545
-
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone
-
ME495088
-
-
10.1465
-
alpha-Allokainic acid
-
ME493087
-
C17904
1.2045
-
alpha-Allokainic acid +1.5193334
-
ME493849
-
C17904
1.5193334
-
alpha-Allokainic acid +3.155
-
ME497777
-
C17904
3.155
-
alpha,alpha'-diethyl-3,4,3',4'-stilbenetetraol
-
ME493086
-
C14739
3.4134998
-
alpha,alpha-dimethylallylcyclolobin
-
ME497776
-
-
1.394
-
alpha,alpha-dimethylallylcyclolobin +1.6240001
-
ME495089
-
-
1.6240001
-
alpha-Amylcinnamaldehyde
-
ME491248
-
C12288
1.0603
-
alpha-Amylcinnamaldehyde +3.296
-
ME495091
-
C12288
3.296
-
alpha-Amylcinnamaldehyde +3.746
-
ME497778
-
C12288
3.746
-
alpha-Amylcinnamaldehyde +5.6125
-
ME495092
-
C12288
5.6125
-
alpha-Amylcinnamaldehyde +5.6143336
-
ME493850
-
C12288
5.6143336
-
alpha-Chaconine
-
ME497779
-
C10796
6.787
-
Alpha-D-Fucose
D-Fucose
ME491840
-
-
1.146
-
Alpha-D-Fucose +1.1925
D-Fucose
ME495093
-
-
1.1925
-
Alpha-D-Fucose +2.345
D-Fucose
ME497780
-
-
2.345
-
alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-ace...
-
ME497781
-
C04847
1.06
-
alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-ace...
-
ME497782
-
C04847
1.049
-
Alpha-D-Manp-(1 - 2)-a-D-Manp-(1 - 2)-a-D-Manp-(1 ...
-
ME497783
-
-
3.448
-
alpha-EMTBL
alpha-Emtbl
ME495094
-
C13720
0.839
-
alpha-Methylstyrene
-
ME492145
-
C14395
5.3915
-
alpha-Methylstyrene +10.137751
-
ME491582
-
C14395
10.137751
-
alpha-Methylstyrene +3.893
-
ME497784
-
C14395
3.893
-
alpha-Methylstyrene +5.387
-
ME497785
-
C14395
5.387
-
alpha-Naphthylacetamide
-
ME497786
-
C18533
3.506
-
Alpha-N-Phenylacetyl-L-glutamine
alpha-N-Phenylacetylglutamine
ME495095
-
C04148
4.693
-
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
-
ME497775
-
C15121
3.534
-
alpha-Sanshool
-
ME497787
-
C17091
5.263
-
alpha-Sanshool +1.6300001
-
ME492543
-
C17091
1.6300001
-
alpha-Sanshool +3.367
-
ME497788
-
C17091
3.367
-
Alpinine
Alpinine
ME495096
-
C09331
10.002001
-
Alpinine +6.1286664
Alpinine
ME493851
-
C09331
6.1286664
-
Alteichin
Alteichin
ME490782
-
C10295
1.6125001
-
Alteichin -1.3896666
Alteichin
ME490995
-
C10295
1.3896666
-
aluminum acetate
-
ME490357
-
-
0.9624375
-
Amabiline
Amabiline
ME492544
-
C10263
13.4444
-
AMC Arachidonoyl Amide
-
ME497789
-
-
6.798
-
Ametryn
Ametryn
ME497790
-
C18700
8.423
-
Ametryn +1.405
Ametryn
ME497791
-
C18700
1.405
-
Amidithion
-
ME491841
-
C18963
0.96114284
-
Amino acid(Arg-)
-
ME490996
-
C02385
0.921
-
Amino acid(Arg-) -0.916
-
ME495097
-
C02385
0.916
-
Amino acid(Arg-) +1.62
-
ME497792
-
C02385
1.62
-
?-Aminobutyryl-lysine
-
ME493647
-
-
1.393
-
aminocaproic acid
Aminocaproic acid
ME497793
-
C02378
2.239
-
AminoDAHP
AminoDAHP
ME497794
-
C12106
0.963
-
AminoDHQ
AminoDHQ
ME490653
-
C12109
1.5796
-
AminoDHQ +1.6336665
AminoDHQ
ME491407
-
C12109
1.6336665
-
?-Aminodiphenylacetic acid
-
ME496682
-
-
4.093
-
Aminofurantoin
-
ME495098
-
-
1.5929999
-
Aminoglutethimide
-
ME492146
-
C07617
4.4366665
-
aminohippuric acid
Aminohippuric acid
ME497795
-
-
3.162
-
Aminoparathion
-
ME491408
-
C06605
1.639111
-
Aminoparathion -1.6865
-
ME495099
-
C06605
1.6865
-
Amiprilose
-
ME497796
-
-
7.559
-
Amiprilose +10.625
-
ME497797
-
-
10.625
-
Amiprilose -5.169
-
ME497799
-
-
5.169
-
Amiprilose +7.264
-
ME497798
-
-
7.264
-
amitraz
Amitraz
ME497800
-
C10995
4.318
-
Ammodendrine
Ammodendrine
ME495100
-
C10125
3.093
-
Ammodendrine +2.118
Ammodendrine
ME495101
-
C10125
2.118
-
Ammodendrine +3.4542
Ammodendrine
ME492545
-
C10125
3.4542
-
Amobarbital
-
ME491842
-
C07536
1.2072858
-
Amobarbital +1.6295
-
ME495102
-
C07536
1.6295
-
Amorphigenol O-vicianoside
-
ME497801
-
-
3.007
-
Amoxapine
-
ME495103
-
-
1.0675
-
AMPA
Ampa
ME497802
-
C13672
1.394
-
AMPA +0.974
Ampa
ME493852
-
C13672
0.974
-
AM-toxin I
-
ME495104
-
C16786
6.9605
-
AM-toxin I -6.094
-
ME497803
-
C16786
6.094
-
AN-7
-
ME495105
-
-
1.6105
-
Anabasamine
Anabasamine
ME495106
-
-
9.855
-
Anandamide 0-phosphate
-
ME495108
-
C19913
7.1870003
-
Anandamide (20:2, n-6)
Eicosadienoyl-EA
ME491583
-
-
12.665
-
Anandamide (20:l, n-9)
11Z-Eicosaenoyl-EA
ME497804
-
-
12.501
-
Anandamide (20:l, n-9) +13.1025
11Z-Eicosaenoyl-EA
ME495107
-
-
13.1025
-
Anastrozole
Anastrozole
ME491843
-
C08159
5.385429
-
Anastrozole +1.395
Anastrozole
ME495109
-
C08159
1.395
-
Anastrozole +1.624
Anastrozole
ME497805
-
C08159
1.624
-
Anastrozole +4.371
Anastrozole
ME495110
-
C08159
4.371
-
Anastrozole +4.9919996
Anastrozole
ME495111
-
C08159
4.9919996
-
Anastrozole +5.6375
Anastrozole
ME495112
-
C08159
5.6375
-
Anastrozole +6.228
Anastrozole
ME497806
-
C08159
6.228
-
Anatoxin a(s)
-
ME493853
-
C19998
3.1963332
-
Anatoxin a(s) +3.124
-
ME497807
-
C19998
3.124
-
Androsta-1,4-dien-3,17-dione
-
ME495113
-
-
5.8710003
-
Androsta-1,4-dien-3,17-dione +4.453
-
ME497808
-
-
4.453
-
Androsta-1,4-dien-3,17-dione +4.707
-
ME497809
-
-
4.707
-
Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol
-
ME497810
-
C15370
6.404
-
Androstrane skeleton
-
ME497811
-
-
6.166
-
Angolensic Acid, Methyl Ester
-
ME493854
-
-
7.484667
-
Angolensic Acid, Methyl Ester +10.139999
-
ME495114
-
-
10.139999
-
Angolensic Acid, Methyl Ester +7.803
-
ME497812
-
-
7.803
-
Angophorol
-
ME497813
-
-
6.973
-
Angophorol -6.577
-
ME497814
-
-
6.577
-
Anhalonidine
-
ME490783
-
C16704
1.1636428
-
Anhalonidine +1.3523124
-
ME490358
-
C16704
1.3523124
-
Anhalonidine +1.404
-
ME497815
-
C16704
1.404
-
Anhalonidine +3.1333332
-
ME493855
-
C16704
3.1333332
-
Anhalonidine +3.82125
-
ME493088
-
C16704
3.82125
-
Anhydroicaritin 3-rhamnosyl-(1-2)-rhamnoside
-
ME497816
-
-
6.932
-
Anhydrotetracycline
Anhydrotetracycline
ME497817
-
-
0.875
-
Anibine
-
ME497818
-
C10127
3.207
-
Aniflorine
Aniflorine
ME497819
-
C10635
1.624
-
Anisole
Anisole
ME495115
-
C01403
5.2965
-
Anisole +1.286
Anisole
ME495116
-
C01403
1.286
-
Anisole +1.394
Anisole
ME497820
-
C01403
1.394
-
Anisole -4.947
Anisole
ME497821
-
C01403
4.947
-
Anisole -5.116
Anisole
ME495117
-
C01403
5.116
-
Ankorine
Ankorine
ME495118
-
C09337
7.473
-
A-Norpregn-3(5)-ene-2,20-dione
-
ME493856
-
C15263
9.011666
-
A-Norpregn-3(5)-ene-2,20-dione +7.658
-
ME497822
-
C15263
7.658
-
A-Norpregn-3(5)-ene-2,20-dione +9.0645
-
ME493089
-
C15263
9.0645
-
Anthanthrene
-
ME493857
-
C19327
1.3966666
-
Anthopleurine
-
ME492546
-
C16994
1.2882
-
Anthrafravic acid
-
ME497823
-
C14267
3.676
-
Anthranilic acid
2-Aminobenzoic acid
ME497824
-
C00108
3.267
-
Anthranilic acid +0.9837142
2-Aminobenzoic acid
ME491844
-
C00108
0.9837142
-
Anthranilic acid +1.0825
2-Aminobenzoic acid
ME495119
-
C00108
1.0825
-
Anthranilic acid +1.1104
2-Aminobenzoic acid
ME492547
-
C00108
1.1104
-
Anthranilic acid +1.598875
2-Aminobenzoic acid
ME491584
-
C00108
1.598875
-
Anthyllin
-
ME497825
-
-
6.654
-
Antimony tartrate
-
ME492147
-
C11340
5.9838333
-
Antimony tartrate +5.895
-
ME497826
-
C11340
5.895
-
Antirrhinoside
Antirrhinoside
ME497827
-
C09768
1.384
-
Antirrhinoside -1.383
Antirrhinoside
ME497828
-
C09768
1.383
-
Antirrhinoside -1.609
Antirrhinoside
ME497829
-
C09768
1.609
-
Aprobarbital
Aprobarbital
ME497830
-
C07826
1.207
-
Aprobarbital +1.212
Aprobarbital
ME497831
-
C07826
1.212
-
Aprobarbital +4.5874996
Aprobarbital
ME495120
-
C07826
4.5874996
-
Aquayamycin
-
ME497832
-
C12412
3.262
-
Arabinosylhypoxanthine
-
ME491409
-
-
2.904778
-
Arabinosylhypoxanthine +2.867
-
ME493090
-
-
2.867
-
Arabinosylhypoxanthine +2.907
-
ME497833
-
-
2.907
-
Aragusteroketal
-
ME495121
-
-
13.7165
-
Aralionine A
Aralionine A
ME497834
-
C09999
6.763
-
Arbutin
Arbutin
ME490894
-
C06186
3.1823077
-
Arbutin -1.3859999
Arbutin
ME491845
-
C06186
1.3859999
-
Arbutin -1.616
Arbutin
ME493858
-
C06186
1.616
-
Arbutin -3.768
Arbutin
ME497835
-
C06186
3.768
-
Arbutin -3.9636002
Arbutin
ME492548
-
C06186
3.9636002
-
Arbutin -4.1083336
Arbutin
ME493859
-
C06186
4.1083336
-
Arbutin +4.6815
Arbutin
ME495122
-
C06186
4.6815
-
Arctiopicrin
-
ME495123
-
C09297
5.3925
-
Arecaidine
Arecaidine
ME497836
-
C10128
1.219
-
Arg Ala Pro
Arg-Ala-Pro
ME497837
-
-
1.622
-
Arg Arg
Arg-Arg
ME497838
-
-
0.87
-
Arg Arg Glu
Arg-Arg-Glu
ME493860
-
-
10.142667
-
Arg Arg Thr
Arg-Arg-Thr
ME491410
-
-
10.587777
-
Arg Arg Thr +7.943
Arg-Arg-Thr
ME495124
-
-
7.943
-
Arg Arg Thr -9.23
Arg-Arg-Thr
ME497839
-
-
9.23
-
Arg Asn Arg
Arg-Asn-Arg
ME495125
-
-
4.7555
-
Arg Asn Met
Arg-Asn-Met
ME497840
-
-
3.802
-
Arg Cys
Arg-Cys
ME497841
-
-
5.368
-
Arg Cys Tyr
Arg-Cys-Tyr
ME495126
-
-
3.3474998
-
Arg Cys Tyr -3.519
Arg-Cys-Tyr
ME497842
-
-
3.519
-
Arg Cys Tyr -7.207333
Arg-Cys-Tyr
ME493861
-
-
7.207333
-
Arg Gln Arg
Arg-Gln-Arg
ME492148
-
-
5.1716666
-
Arg Gln Arg +5.1696362
Arg-Gln-Arg
ME491110
-
-
5.1696362
-
Arg Glu
Arg-Glu
ME497843
-
-
4.949
-
Arg Gly
Arg-Gly
ME493862
-
-
0.92566663
-
Arg Gly +1.385
Arg-Gly
ME497844
-
-
1.385
-
Arg Gly Arg
Arg-Gly-Arg
ME495127
-
-
4.65
-
Arg Gly Asn
Arg-Gly-Asn
ME497845
-
-
4.092
-
Arg His Gln
Arg-His-Gln
ME497846
-
-
8.013
-
Arg His Gly
Arg-His-Gly
ME497847
-
-
4.431
-
Arg Ile Thr
Arg-Ile-Thr
ME497848
-
-
3.117
-
Argininic acid
Argininic acid
ME493093
-
-
1.194
-
Argininic acid -0.949
Argininic acid
ME497863
-
-
0.949
-
Argininic acid +0.9595
Argininic acid
ME495131
-
-
0.9595
-
Arg Leu
Arg-Leu
ME497849
-
-
1.402
-
Arg Leu +1.622
Arg-Leu
ME495128
-
-
1.622
-
Arg Leu Ile
Arg-Leu-Ile
ME497850
-
-
3.534
-
Arg Leu Lys
Arg-Leu-Lys
ME497851
-
-
6.997
-
Arg Leu Phe
Arg-Leu-Phe
ME497852
-
-
9.992
-
Arg Lys Gln
Arg-Lys-Gln
ME497853
-
-
7.184
-
Arg Lys Gln -9.059667
Arg-Lys-Gln
ME493863
-
-
9.059667
-
Arg Met
Arg-Met
ME497854
-
-
3.54
-
Arg-OEt
Ethyl arginate
ME491411
-
C01404
1.1222222
-
Arg Phe
Arg-Phe
ME497855
-
-
3.6
-
Arg Phe His
Arg-Phe-His
ME493864
-
-
3.3983333
-
Arg Phe His -6.613
Arg-Phe-His
ME497856
-
-
6.613
-
Arg Pro Gly
Arg-Pro-Gly
ME493091
-
-
4.2427497
-
Arg Ser Asp
Arg-Ser-Asp
ME493092
-
-
4.2255
-
Arg Thr
Arg-Thr
ME492549
-
-
0.93859994
-
Arg Trp Ala
Arg-Trp-Ala
ME495129
-
-
11.62
-
Arg Trp Met
Arg-Trp-Met
ME495130
-
-
6.114
-
Arg Tyr Glu
Arg-Tyr-Glu
ME497857
-
-
5.326
-
Arg Val Ile
Arg-Val-Ile
ME497858
-
-
3.247
-
Arg Val Ile +3.382
Arg-Val-Ile
ME497859
-
-
3.382
-
Arg Val Phe
Arg-Val-Phe
ME497860
-
-
6.654
-
Arg Val Phe -8.123
Arg-Val-Phe
ME497861
-
-
8.123
-
Arg Val Pro
Arg-Val-Pro
ME497862
-
-
3.899
-
Argyrolobine
Argyrolobine
ME497864
-
C10754
3.621
-
Argyrolobine +1.349
Argyrolobine
ME497865
-
C10754
1.349
-
Argyrolobine +3.312
Argyrolobine
ME497866
-
C10754
3.312
-
Argyrolobine +3.375
Argyrolobine
ME497867
-
C10754
3.375
-
Argyrolobine +3.8693333
Argyrolobine
ME493865
-
C10754
3.8693333
-
Argyrolobine +3.9098
Argyrolobine
ME492550
-
C10754
3.9098
-
Argyrolobine +3.993
Argyrolobine
ME497868
-
C10754
3.993
-
Argyrolobine +5.551
Argyrolobine
ME497869
-
C10754
5.551
-
Argyrolobine -5.8046665
Argyrolobine
ME493866
-
C10754
5.8046665
-
Argyrolobine -5.8175
Argyrolobine
ME495132
-
C10754
5.8175
-
Argyrolobine +6.136
Argyrolobine
ME497870
-
C10754
6.136
-
Artecanin
Chrysartemin B
ME497871
-
C09302
4.475
-
Artemisiifolin
-
ME495133
-
C09304
1.005
-
Artoindonesianin B
-
ME497872
-
-
3.421
-
Artoindonesianin B +1.053
-
ME495134
-
-
1.053
-
Artoindonesianin B +3.346
-
ME497873
-
-
3.346
-
Artonin K
-
ME492551
-
-
0.9444
-
(-)-AS 115
-
ME492935
-
-
6.94
-
Asn Ala Cys
Asn-Ala-Cys
ME495135
-
-
5.6025
-
Asn Ala Cys +1.386
Asn-Ala-Cys
ME497874
-
-
1.386
-
Asn Ala Cys +1.6563333
Asn-Ala-Cys
ME493867
-
-
1.6563333
-
Asn Ala Cys +3.152
Asn-Ala-Cys
ME495136
-
-
3.152
-
Asn Arg His
Asn-Arg-His
ME492552
-
-
3.788
-
Asn Arg His +3.8260002
Asn-Arg-His
ME492553
-
-
3.8260002
-
Asn Arg Lys
Asn-Arg-Lys
ME497875
-
-
5.196
-
Asn Asn Asn
Asn-Asn-Asn
ME497876
-
-
1.624
-
Asn Asn His
Asn-Asn-His
ME497877
-
-
3.208
-
Asn-Asn-OH
-
ME497888
-
-
3.669
-
Asn-Asn-OH -4.483
-
ME495140
-
-
4.483
-
Asn Asn Val
Asn-Asn-Val
ME497878
-
-
1.396
-
Asn Asp Gln
Asn-Asp-Gln
ME497879
-
-
3.155
-
Asn Gln Glu
Asn-Gln-Glu
ME497880
-
-
4.344
-
Asn Glu Val
Asn-Glu-Val
ME492554
-
-
1.3962
-
Asn Glu Val +3.311
Asn-Glu-Val
ME497881
-
-
3.311
-
Asn Gly Lys
Asn-Gly-Lys
ME497882
-
-
0.938
-
Asn His
Asn-His
ME497883
-
-
3.974
-
Asn His +0.937
Asn-His
ME497884
-
-
0.937
-
Asn His +0.941
Asn-His
ME497885
-
-
0.941
-
Asn His Ile
Asn-His-Ile
ME495137
-
-
11.9445
-
Asn His Ile -4.7473335
Asn-His-Ile
ME493868
-
-
4.7473335
-
Asn Leu Pro
Asn-Leu-Pro
ME497886
-
-
4.386
-
Asn Lys Val
Asn-Lys-Val
ME497887
-
-
1.302
-
Asn Thr Thr
Asn-Thr-Thr
ME495138
-
-
1.0515001
-
Asn Trp
Asn-Trp
ME495139
-
-
1.144
-
Asp Ala
Asp-Ala
ME497889
-
-
1.085
-
Asp Ala His
Asp-Ala-His
ME493094
-
-
0.92925
-
Asp Arg Leu
Asp-Arg-Leu
ME495141
-
-
1.6235
-
Asp Asn Asn
Asp-Asn-Asn
ME497890
-
-
3.814
-
Asp Asp Phe
Asp-Asp-Phe
ME493095
-
-
3.40675
-
Asp Asp Pro
Asp-Asp-Pro
ME497891
-
-
6.019
-
Asp Asp Ser
Asp-Asp-Ser
ME497892
-
-
3.543
-
Asp Asp Ser -3.774
Asp-Asp-Ser
ME497893
-
-
3.774
-
Aspergillic acid
-
ME497900
-
C10571
3.908
-
Asperuloside
Asperuloside
ME497901
-
C09769
3.037
-
Asperuloside -3.071
Asperuloside
ME497902
-
C09769
3.071
-
Aspidinol
Aspidinol
ME490359
-
C10673
7.8015633
-
Aspidinol -6.5646667
Aspidinol
ME492149
-
C10673
6.5646667
-
Aspidinol -6.6270003
Aspidinol
ME493870
-
C10673
6.6270003
-
Aspidoalbine
-
ME497903
-
C09038
1.397
-
Aspidoalbine +5.89
-
ME497904
-
C09038
5.89
-
Asp Ile Val
Asp-Ile-Val
ME497894
-
-
3.328
-
Asp Ile Val +11.796666
Asp-Ile-Val
ME493869
-
-
11.796666
-
Asp Lys Leu
Asp-Lys-Leu
ME497895
-
-
7.771
-
Asp Lys Pro
Asp-Lys-Pro
ME497896
-
-
4.007
-
Asp Met Trp
Asp-Met-Trp
ME495142
-
-
8.396
-
Asp-Phe
Asp-Phe
ME495144
-
-
3.497
-
Asp-Phe methyl ester
Aspartame
ME497905
-
C11045
3.25
-
Asp Phe Val
Asp-Phe-Val
ME497897
-
-
1.616
-
Asp Pro Ala
Asp-Pro-Ala
ME495143
-
-
1.6294999
-
Asp Pro Phe
Asp-Pro-Phe
ME497898
-
-
3.436
-
Asp Ser Asn
Asp-Ser-Asn
ME497899
-
-
4.724
-
Aspulvinone H
Aspulvinone H
ME493096
-
C02008
7.47
-
Aspulvinone H -7.604
Aspulvinone H
ME497906
-
C02008
7.604
-
Aspulvinone H -7.791
Aspulvinone H
ME493871
-
C02008
7.791
-
Astaxanthin diglucoside/ Astaxanthin ?-D-diglucosi...
-
ME497907
-
-
5.905
-
Atenolol
Atenolol
ME497908
-
C06833
1.437
-
Atenolol +1.623
Atenolol
ME497909
-
C06833
1.623
-
Atenolol +4.1085
Atenolol
ME495145
-
C06833
4.1085
-
a-Tetrasaccharide
-
ME495146
-
C06768
1.3859999
-
Athamantin
Athamantin
ME497910
-
C09123
5.355
-
Athamantin -5.903
Athamantin
ME497911
-
C09123
5.903
-
Athamantin -6.482
Athamantin
ME497912
-
C09123
6.482
-
Athamantin -6.482 :1
Athamantin
ME497913
-
C09123
6.482
-
Athamantin -6.693
Athamantin
ME497914
-
C09123
6.693
-
Athamantin -7.003
Athamantin
ME497915
-
C09123
7.003
-
Atraton
-
ME492150
-
C19098
1.3956667
-
Atraton +1.112
-
ME497916
-
C19098
1.112
-
Atraton +3.449
-
ME497917
-
C19098
3.449
-
Atraton +3.636
-
ME497918
-
C19098
3.636
-
Atropaldehyde
-
ME495147
-
C16592
1.6615
-
Atropaldehyde +3.173
-
ME497919
-
C16592
3.173
-
Atropine
(R)-Atropine
ME497920
-
C01479
5.634
-
Auramine
-
ME493872
-
C19193
10.591667
-
Auramine -10.3725
-
ME495148
-
C19193
10.3725
-
Auramine -10.970857
-
ME491846
-
C19193
10.970857
-
Aureothin
Aureothin
ME491847
-
C15689
10.409571
-
Aureothin -10.5235
Aureothin
ME495149
-
C15689
10.5235
-
Auriculine
Auriculine
ME492151
-
C10280
5.0796666
-
Avenanthramide A
-
ME497921
-
C08472
3.859
-
Avermectin A1a aglycone
-
ME497922
-
C11980
6.678
-
Avermectin A1a aglycone +6.76
-
ME497923
-
C11980
6.76
-
Avermectin A1a monosaccharide
Avermectin A1a
ME490654
-
C11982
11.733534
-
Avermectin A1a monosaccharide +11.7942505
Avermectin A1a
ME490360
-
C11982
11.7942505
-
Avermectin A1a monosaccharide +6.3924994
Avermectin A1a
ME491585
-
C11982
6.3924994
-
Avermectin A1a monosaccharide +6.4822006
Avermectin A1a
ME491249
-
C11982
6.4822006
-
Avermectin A2a monosaccharide
-
ME493097
-
C11974
0.89125
-
Avermectin B1b aglycone
-
ME497924
-
C11963
7.262
-
Avermectin B1b aglycone -7.684
-
ME497925
-
C11963
7.684
-
Avermectin B2a aglycone
-
ME497926
-
C11971
6.359
-
Axisothiocyanate 3
-
ME497927
-
C17007
3.026
-
Azafenidin
-
ME491412
-
C10895
13.1536665
-
Azafenidin +13.650666
-
ME493873
-
C10895
13.650666
-
azaperone
-
ME497928
-
-
1.399
-
Azaserine
-
ME497929
-
C19194
0.874
-
Aziridyl benzoquinone
-
ME497930
-
C19333
4.054
-
Azithromycin
Azithromycin
ME497931
-
C06838
6.144
-
B-(4-Fluorobenzoyl)propionic acid
-
ME497932
-
-
3.829
-
bacteriohopanetetrol cyclitol
-
ME497933
-
-
0.882
-
Balfourodine
Balfourodine
ME491848
-
C10647
1.6209999
-
Baptifoline
Baptifoline
ME493098
-
C10755
5.5492496
-
Baptifoline +1.391
Baptifoline
ME492555
-
C10755
1.391
-
Baptifoline +3.295
Baptifoline
ME497934
-
C10755
3.295
-
Baptifoline -5.4105
Baptifoline
ME495150
-
C10755
5.4105
-
Baptifoline -5.792333
Baptifoline
ME493874
-
C10755
5.792333
-
Barbatoflavan
-
ME497935
-
-
7.796
-
Barbital
5,5-Diethylbarbituric acid
ME495151
-
-
1.135
-
Batrachotoxinin A
-
ME491111
-
C20032
13.122638
-
BAY-60-7550
-
ME497936
-
-
9.237
-
BAY-60-7550 +6.789
-
ME497937
-
-
6.789
-
b-D-Galactopyranose
-
ME490784
-
C17207
0.954
-
b-D-Glucopyranosiduronic acid
-
ME497938
-
-
3.606
-
b-D-Glucopyranosiduronic acid, 3-(6-hydroxy-2-naph...
-
ME497939
-
-
6.464
-
b-D-Glucopyranosiduronic acid, 3-(6-hydroxy-2-naph...
-
ME497940
-
-
4.166
-
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-na...
-
ME497941
-
-
6.468
-
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-na...
-
ME497942
-
-
5.725
-
Bellendine
Bellendine
ME497943
-
C10846
1.399
-
Benexate
-
ME497944
-
C13182
4.943
-
Benfluorex
-
ME491112
-
-
10.360455
-
Benfotiamine
-
ME497945
-
-
1.643
-
Benorilate
-
ME497946
-
-
1.387
-
Benquinox
-
ME495152
-
C18924
5.0035
-
Benthiavalicarb isopropyl
-
ME497947
-
C18415
3.437
-
Benthiavalicarb isopropyl -6.453
-
ME497948
-
C18415
6.453
-
Benzal chloride
-
ME490361
-
C19165
0.8296875
-
Benzal chloride -0.937
-
ME497949
-
C19165
0.937
-
Benzaldehyde
Benzaldehyde
ME491586
-
C00261
1.6320001
-
Benzaldehyde +2.875
Benzaldehyde
ME497950
-
C00261
2.875
-
Benzo[a]pyrene-trans-11,12-dihydrodiol
-
ME497951
-
C18285
3.781
-
Benzofuran
Benzofuran
ME491849
-
C14512
1.6325713
-
Benzo[ghi]fluoranthene
-
ME495153
-
C19342
3.925
-
Benzo[ghi]perylene
-
ME497952
-
C14318
1.076
-
Benzoylagmatine
Benzoylagmatine
ME493099
-
C02253
6.526
-
Benztropine
Benzatropine
ME491413
-
C06846
11.396333
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME491587
-
C04561
8.670624
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate +1.075
-
ME497953
-
C04561
1.075
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate +5.2206...
-
ME491588
-
C04561
5.220625
-
Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate
Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate
ME497954
-
C04562
5.533
-
Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate +5.625
Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate
ME497955
-
C04562
5.625
-
benzylazanium
Benzylamine
ME495154
-
C15562
1.398
-
Benzyl benzoate
Benzyl Benzoate
ME493100
-
C12537
3.9445
-
Benzyl benzoate +3.942
Benzyl Benzoate
ME497956
-
C12537
3.942
-
Benzyl chloride
Benzyl chloride
ME497957
-
C19167
3.238
-
Benzyloxyphenylisoserine Methylester
-
ME497958
-
-
4.741
-
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME495155
-
C09816
5.2685003
-
Benzylsuccinate +4.096
(R)-2-Benzylsuccinic acid
ME497959
-
C09816
4.096
-
Benzylsuccinate +5.2735
(R)-2-Benzylsuccinic acid
ME495156
-
C09816
5.2735
-
Bestatin
Bestatin
ME491250
-
C00732
4.5762997
-
Bestatin +3.6974285
Bestatin
ME491850
-
C00732
3.6974285
-
Bestatin -3.78
Bestatin
ME497961
-
C00732
3.78
-
Bestatin +4.6335
Bestatin
ME495157
-
C00732
4.6335
-
Bestatin +4.8338575
Bestatin
ME491851
-
C00732
4.8338575
-
Bestatin -5.817
Bestatin
ME497962
-
C00732
5.817
-
Bestatin +5.8190002
Bestatin
ME493875
-
C00732
5.8190002
-
Bestatin +5.8783336
Bestatin
ME493876
-
C00732
5.8783336
-
Bestatin -6.053
Bestatin
ME497963
-
C00732
6.053
-
Bestatin +6.0587997
Bestatin
ME492556
-
C00732
6.0587997
-
Bestatin +6.1194
Bestatin
ME492557
-
C00732
6.1194
-
Bestatin +6.22
Bestatin
ME497960
-
C00732
6.22
-
beta-Cyclocostunolide
-
ME495158
-
C09384
3.3585
-
beta-D-Apiose
-
ME493101
-
C08346
0.99425
-
beta-D-Galactosyl-(1-4)-L-rhamnose
-
ME493877
-
C19758
1.3793334
-
beta-D-Gentiobiosyl crocetin
-
ME490655
-
C19869
12.854135
-
beta-Eucaine
-
ME497964
-
C14167
5.619
-
Betaine
Betaine
ME490656
-
C00719
1.0362668
-
Betaine +1.1235
Betaine
ME495159
-
C00719
1.1235
-
Betaine +1.23025
Betaine
ME490362
-
C00719
1.23025
-
Betaine +1.2870667
Betaine
ME490657
-
C00719
1.2870667
-
Betaine aldehyde
Betaine aldehyde
ME493102
-
C00576
1.09525
-
Betaine aldehyde +0.841
Betaine aldehyde
ME497965
-
C00576
0.841
-
Betaine aldehyde +4.299
Betaine aldehyde
ME497966
-
C00576
4.299
-
beta-tocotrienol
-
ME495160
-
C14154
10
-
beta-Zearalanol
-
ME497967
-
C14753
6.843
-
beta-Zearalanol +1.332
-
ME495161
-
C14753
1.332
-
Bethanechol
-
ME491589
-
C06850
0.8736249
-
Bethanechol +0.871
-
ME497968
-
C06850
0.871
-
Bethanechol +1.19025
-
ME491590
-
C06850
1.19025
-
b-Glucose
Glucose
ME491591
-
C00221
0.94299996
-
b-Glucose +0.999
Glucose
ME497969
-
C00221
0.999
-
b-Glucose -1.0226667
Glucose
ME493878
-
C00221
1.0226667
-
Bialaphos
-
ME495162
-
C06457
3.5015001
-
Bifemelane M1
-
ME497970
-
-
4.033
-
Bifemelane M1 +4.534
-
ME497971
-
-
4.534
-
BILA 2185BS
-
ME497972
-
C15657
9.086
-
BILA 2185BS +6.406
-
ME497973
-
C15657
6.406
-
BILA 2185BS +6.944
-
ME493103
-
C15657
6.944
-
BILA 2185BS +7.838
-
ME497974
-
C15657
7.838
-
Binapacryl
-
ME497975
-
C19022
4.3
-
Binapacryl +1.3986667
-
ME493879
-
C19022
1.3986667
-
Binapacryl +3.242
-
ME497976
-
C19022
3.242
-
Binapacryl +3.411
-
ME497977
-
C19022
3.411
-
Binapacryl +4.744
-
ME495163
-
C19022
4.744
-
Binapacryl +6.926
-
ME497978
-
C19022
6.926
-
Binapacryl +6.9715004
-
ME495164
-
C19022
6.9715004
-
Biopterin
Biopterin
ME495165
-
C06313
3.3845
-
Biopterin +0.926
Biopterin
ME497979
-
C06313
0.926
-
Bioresmethrin
-
ME490658
-
C16810
9.454733
-
Bioresmethrin +4.52
-
ME497980
-
C16810
4.52
-
Biotin-X-NHS
-
ME497981
-
-
3.871
-
Biperiden
Biperiden
ME497982
-
C07941
7.42
-
Bis(2-chloroethyl)ether
-
ME497983
-
C14688
1.757
-
Bis (2-hydroxypropyl) amine
-
ME490363
-
-
1.4601251
-
Bis (2-hydroxypropyl) amine +1.6224375
-
ME490364
-
-
1.6224375
-
Bis (2-hydroxypropyl) amine +2.9927332
-
ME490659
-
-
2.9927332
-
bis(4-fluorophenyl)-Methanone
-
ME497984
-
-
3.939
-
Bis(4-hydroxyphenyl)methanol
-
ME497985
-
C18215
0.97
-
Bis(4-hydroxyphenyl)methanol -6.593
-
ME497986
-
C18215
6.593
-
Bis(4-hydroxyphenyl)methanol -6.5975
-
ME495166
-
C18215
6.5975
-
Bisacodyl diphenol
-
ME497987
-
-
5.783
-
Bisdemethoxycurcumin
Bisdemethoxycurcumin
ME495167
-
C17743
3.892
-
Bisdesethylchloroquine
-
ME497988
-
-
1.401
-
Bisdesethylchloroquine +6.413
-
ME497989
-
-
6.413
-
Bisindolylmaleimide I
Bisindolylmaleimide i
ME497990
-
C11238
7.441
-
Bisphenol A bis(chloroformate)
-
ME495168
-
C14346
4.9554996
-
Bisphenol A bis(chloroformate) -5.381
-
ME497991
-
C14346
5.381
-
Bisphenol A dimethacrylate
-
ME497992
-
C14345
4.821
-
Bleekerine
-
ME497993
-
C09046
10.029
-
Bluensidine
-
ME497994
-
C17967
1.571
-
BM 567
-
ME497995
-
-
4.413
-
BMPN-benzoic acid glucuronide
-
ME497996
-
-
4.07
-
Boc-Asn
-
ME497997
-
C01410
0.996
-
Boc-Phe(NMe)-Gly-OMe
-
ME495169
-
-
4.614
-
Boc-Phe(NMe)-Gly-OMe +0.94200003
-
ME495170
-
-
0.94200003
-
Boc-Phe(NMe)-Gly-OMe +1.395
-
ME497998
-
-
1.395
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe
-
ME490997
-
-
7.3805003
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +6.22
-
ME497999
-
-
6.22
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +6.554
-
ME498000
-
-
6.554
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +6.6223335
-
ME493880
-
-
6.6223335
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.169
-
ME498001
-
-
7.169
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.34
-
ME491852
-
-
7.34
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe -7.4078
-
ME491251
-
-
7.4078
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.4296665
-
ME493881
-
-
7.4296665
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.5495715
-
ME490785
-
-
7.5495715
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.947
-
ME498002
-
-
7.947
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +8.002999
-
ME493882
-
-
8.002999
-
Boc-Pro-DVal(NMe)-Val-OMe
-
ME498003
-
-
4.114
-
Boc-Pro-Phe(NMe)-Gly-OMe
-
ME498004
-
-
3.427
-
B-Octylglucoside
beta-Octylglucoside
ME498005
-
-
3.859
-
B-Octylglucoside +7.479666
beta-Octylglucoside
ME493883
-
-
7.479666
-
BQ 123
-
ME495171
-
C11587
6.95
-
BQ 123 +9.26
-
ME498006
-
C11587
9.26
-
BQ 485
-
ME493884
-
C11362
11.000667
-
Brevetoxin C
-
ME498007
-
C20015
7.789
-
Bromotheophylline
-
ME498008
-
-
4.41
-
Bromoxynil
3,5-Dibromo-4-hydroxybenzonitrile
ME493104
-
C04178
0.89
-
Brosimacutin B
-
ME498009
-
-
4.46
-
Broussinol
-
ME493105
-
-
9.6825
-
Broussinol +1.063
-
ME495172
-
-
1.063
-
Broussinol +1.281
-
ME495173
-
-
1.281
-
Bruceantin
Bruceantin
ME495174
-
C08749
7.455
-
Bruceantin -7.634
Bruceantin
ME498010
-
C08749
7.634
-
Bruceantin -8.2965
Bruceantin
ME495175
-
C08749
8.2965
-
Brugine
Brugine
ME495176
-
C10849
1.763
-
Brugine +0.972
Brugine
ME498011
-
C10849
0.972
-
Brunfelsamidine
Brunfelsamidine
ME498012
-
C10133
0.906
-
Brunfelsamidine +3.936
Brunfelsamidine
ME498013
-
C10133
3.936
-
Bryophyllin A
-
ME498014
-
C08852
6.285
-
Bryophyllin A -7.558
-
ME498016
-
C08852
7.558
-
Bryophyllin A +7.684
-
ME498015
-
C08852
7.684
-
Bryostatin 1
-
ME498017
-
C05149
7.462
-
Buclizine
Buclizine
ME498018
-
C07777
8.217
-
Bufotalin
-
ME498019
-
C16923
6.795
-
Bullatacinone
Bullatacinone
ME490786
-
C08470
13.599572
-
Bupirimate
-
ME498020
-
C18776
1.393
-
butalbital
Butalbital
ME491853
-
-
4.0247145
-
butalbital +1.122
Butalbital
ME498021
-
-
1.122
-
butalbital +1.311
Butalbital
ME498022
-
-
1.311
-
butalbital +3.874
Butalbital
ME498023
-
-
3.874
-
butalbital +4.6794
Butalbital
ME492558
-
-
4.6794
-
Butenachlor
-
ME493885
-
C19045
1.6216668
-
Buthiobate
-
ME490365
-
C18930
10.015688
-
Buthionine sulfoximine
-
ME498024
-
C04543
1.398
-
butoconazole
-
ME498025
-
C08065
1.699
-
Butonate
-
ME498026
-
C18967
0.837
-
Butopyronoxyl
-
ME498027
-
C19142
4.546
-
Butopyronoxyl +10.215
-
ME498028
-
C19142
10.215
-
Butopyronoxyl +5.200667
-
ME493886
-
C19142
5.200667
-
Butopyronoxyl -5.237
-
ME498031
-
C19142
5.237
-
Butopyronoxyl +5.2543325
-
ME491414
-
C19142
5.2543325
-
Butopyronoxyl +5.26
-
ME498029
-
C19142
5.26
-
Butopyronoxyl +5.5543847
-
ME490895
-
C19142
5.5543847
-
Butopyronoxyl +5.6206665
-
ME493887
-
C19142
5.6206665
-
Butopyronoxyl +7.471
-
ME498030
-
C19142
7.471
-
Butralin
-
ME493106
-
C18582
4.021
-
Butralin +11.841499
-
ME495177
-
C18582
11.841499
-
Butralin +11.983
-
ME495178
-
C18582
11.983
-
Butralin +3.752
-
ME498032
-
C18582
3.752
-
Butralin +3.902
-
ME498033
-
C18582
3.902
-
Butralin +4.489
-
ME498034
-
C18582
4.489
-
Byakangelicin
-
ME495179
-
C09141
3.524
-
Byakangelicin +3.519
-
ME498035
-
C09141
3.519
-
Byakangelicin -5.608
-
ME498036
-
C09141
5.608
-
C12
CAR 12:0
ME491419
-
-
0.8194444
-
C12:4n-2,4,8,10
-
ME492570
-
-
5.4421997
-
C12:4n-2,4,8,10 +3.96
-
ME498203
-
-
3.96
-
C12:5n-1,3,5,7,9
-
ME495234
-
-
5.219
-
C-12 NBD Ceramide
-
ME498201
-
-
0.892
-
C14:5n-1,3,5,7,9
-
ME498291
-
-
6.274
-
C14:5n-1,3,5,7,9 +1.325
-
ME498292
-
-
1.325
-
C14:5n-1,3,5,7,9 +6.273
-
ME498293
-
-
6.273
-
C14:5n-1,3,5,7,9 +6.518
-
ME498294
-
-
6.518
-
C16:4n-4,8,10,14
-
ME490391
-
-
11.4935
-
C16:4n-4,8,10,14 +7.981
-
ME498397
-
-
7.981
-
C16:4n-4,8,10,14 +8.028
-
ME495307
-
-
8.028
-
C17 Sphinganine
C17 Sphinganine
ME490393
-
-
9.605375
-
C17 Sphinganine +10.175
C17 Sphinganine
ME498434
-
-
10.175
-
C17 Sphinganine +9.726
C17 Sphinganine
ME498435
-
-
9.726
-
C17 Sphinganine +9.946
C17 Sphinganine
ME498436
-
-
9.946
-
C22:5n-3,7,10,14,18
-
ME493182
-
-
8.41375
-
C-6 NBD Ceramide
-
ME494117
-
-
6.11
-
C-6 NBD Ceramide +6.463
-
ME499288
-
-
6.463
-
C-6 NBD-dihydro-Ceramide
-
ME493269
-
-
12.5475
-
C75
-
ME499335
-
-
7.476
-
C75 -5.0664997
-
ME495636
-
-
5.0664997
-
C75 +7.8009996
-
ME495635
-
-
7.8009996
-
Cadiamine
Cadiamine
ME499463
-
C10756
5.938
-
Cadiamine +5.178
Cadiamine
ME499464
-
C10756
5.178
-
Caffeate
Caffeic acid
ME494144
-
C01197
4.71
-
Caffeine
Caffeine
ME494145
-
C07481
1.6253334
-
Caffeine +1.14
Caffeine
ME499465
-
C07481
1.14
-
Caffeine +1.4095
Caffeine
ME495670
-
C07481
1.4095
-
Caffeoylputrescine
N-Caffeoylputrescine
ME499466
-
C03002
3.878
-
Calanolide A
Calanolide A
ME499467
-
C09147
7.969
-
Calanolide A -7.5126
Calanolide A
ME492689
-
C09147
7.5126
-
Calligonine
-
ME499468
-
C09089
1.057
-
Callytriol C
-
ME491667
-
C17005
10.934375
-
Callytriol C -10.9184
-
ME490699
-
C17005
10.9184
-
Callytriol C -10.988733
-
ME490700
-
C17005
10.988733
-
Callytriol C -11.043875
-
ME491668
-
C17005
11.043875
-
Callytriol C -11.158357
-
ME490825
-
C17005
11.158357
-
Callytriol C +6.516
-
ME499469
-
C17005
6.516
-
Calomelanol G
-
ME499470
-
-
5.557
-
Calomelanol J
-
ME499471
-
-
3.728
-
Calpeptin
Calpeptin
ME499472
-
C11256
7.442
-
Calystegin A3
-
ME499473
-
C10850
1.106
-
Calystegin B2
Calystegin B2
ME495671
-
C10851
3.1005
-
Camptothecin
Camptothecin
ME493290
-
C01897
11.924251
-
Camptothecin +12.603
Camptothecin
ME490472
-
C01897
12.603
-
Camptothecin +13.102
Camptothecin
ME499474
-
C01897
13.102
-
Camptothecin +13.1518755
Camptothecin
ME490473
-
C01897
13.1518755
-
Camptothecin +13.647939
Camptothecin
ME490474
-
C01897
13.647939
-
Cancentrine
Cancentrine
ME499475
-
C09370
3.154
-
Cancentrine -3.2965
Cancentrine
ME495672
-
C09370
3.2965
-
Cancentrine -3.346
Cancentrine
ME499476
-
C09370
3.346
-
Candletoxin A
-
ME495673
-
C09068
9.2525
-
Candletoxin A +9.082
-
ME499477
-
C09068
9.082
-
Candletoxin A +9.2455
-
ME495674
-
C09068
9.2455
-
Candoxatrilat
-
ME499478
-
C11721
5.653
-
Cannabidiolic acid
Cannabidiolic acid
ME494146
-
C10784
9.026
-
Canthin-6-one
Canthin-6-one
ME499479
-
C09098
1.152
-
Canthiumine
-
ME495675
-
C10000
7.1205
-
Canthiumine -6.603
-
ME499480
-
C10000
6.603
-
Canthiumine +6.822
-
ME495676
-
C10000
6.822
-
Canthiumine +7.2945
-
ME495677
-
C10000
7.2945
-
Caohuoside D
-
ME494147
-
-
1.3886667
-
Capillartemisin A
-
ME499481
-
C17789
3.502
-
Capillartemisin B
-
ME490701
-
C17795
9.4742
-
Capillartemisin B +13.442
-
ME499482
-
C17795
13.442
-
Capillartemisin B +3.198
-
ME499483
-
C17795
3.198
-
Capillone
-
ME495678
-
C16928
1.0139999
-
Capryloylglycine
Capryloylglycine
ME499484
-
-
5.065
-
Capryloylglycine +1.3965
Capryloylglycine
ME495679
-
-
1.3965
-
Capryloylglycine +3.4616668
Capryloylglycine
ME494148
-
-
3.4616668
-
Capryloylglycine +5.723
Capryloylglycine
ME499485
-
-
5.723
-
Capsaicin
Capsaicin
ME493291
-
C06866
0.99450004
-
Capsaicin +3.607
Capsaicin
ME499486
-
C06866
3.607
-
Capsaicin +5.874
Capsaicin
ME499487
-
-
5.874
-
Capsi-amide
Capsiamide
ME490702
-
C17515
12.3259325
-
Capsi-amide +13.055093
Capsiamide
ME491153
-
C17515
13.055093
-
Capsianoside I
-
ME499488
-
-
6.764
-
Capsianoside I -6.932
-
ME499489
-
-
6.932
-
Carbadox
-
ME499490
-
-
1.042
-
Carbanolate
-
ME499491
-
C18950
3.72
-
Carbendazim
Carbendazim
ME499492
-
C10897
0.949
-
Carbestrol
-
ME499493
-
C14660
3.544
-
Carbidopa
-
ME491934
-
C07562
1.3982857
-
Carbidopa +1.62
-
ME493292
-
C07562
1.62
-
Carbidopa +3.242
-
ME491935
-
C07562
3.242
-
Carbidopa +3.325
-
ME499494
-
C07562
3.325
-
Carbidopa +3.47725
-
ME493293
-
C07562
3.47725
-
Carbidopa -3.5249999
-
ME493294
-
C07562
3.5249999
-
Carbidopa +3.5523
-
ME491306
-
C07562
3.5523
-
Carbocyclic Thromboxane A2
-
ME499495
-
-
7.795
-
Carbofuran
-
ME495680
-
C14291
3.1955
-
Carboxynorspermidine
Carboxynorspermidine
ME499496
-
C18174
1.638
-
Carboxyprimaquine
Carboxyprimaquine
ME493295
-
-
5.9275002
-
Carboxyprimaquine +4.85325
Carboxyprimaquine
ME493296
-
-
4.85325
-
Carboxyprimaquine +5.09175
Carboxyprimaquine
ME493297
-
-
5.09175
-
Carboxyprimaquine -6.1990004
Carboxyprimaquine
ME495681
-
-
6.1990004
-
Carboxytolbutamide
Carboxytolbutamide
ME499497
-
-
1.614
-
Cardiogenol C
-
ME495682
-
-
3.509
-
Cardiogenol C +5.057
-
ME499498
-
-
5.057
-
carisoprodol
Carisoprodol
ME499499
-
C07927
1.163
-
carisoprodol +3.041
Carisoprodol
ME499500
-
C07927
3.041
-
carisoprodol +3.1360002
Carisoprodol
ME492690
-
C07927
3.1360002
-
Carmamycin A
-
ME493298
-
-
6.4602504
-
Carminomycin
Carminomycin
ME499501
-
C12432
1.619
-
Carminomycin +4.407
Carminomycin
ME499502
-
C12432
4.407
-
Carnitine
Carnitine
ME490475
-
C00487
0.99824995
-
Carnosic acid
-
ME499503
-
-
6.306
-
Carolinianine
-
ME499504
-
C09856
3.861
-
Carolinianine +3.992
-
ME495683
-
C09856
3.992
-
Carolinianine +6.151
-
ME499505
-
C09856
6.151
-
Carolinianine +6.247
-
ME499506
-
C09856
6.247
-
Carolinianine +6.301
-
ME499507
-
C09856
6.301
-
Carolinianine +6.665
-
ME499508
-
C09856
6.665
-
Carolinianine +9.397
-
ME499509
-
C09856
9.397
-
Carpelastofuran
-
ME499510
-
-
6.02
-
Carpipramine
-
ME491307
-
C12896
6.3042
-
Carpipramine +6.338333
-
ME494149
-
C12896
6.338333
-
Carteolol
Carteolol
ME494150
-
C06874
3.9293334
-
Carteolol +4.0994997
Carteolol
ME495684
-
C06874
4.0994997
-
Carteolol +4.652
Carteolol
ME499511
-
C06874
4.652
-
Carteolol +4.893
Carteolol
ME499512
-
C06874
4.893
-
Carteolol +5.2475
Carteolol
ME495685
-
C06874
5.2475
-
Carteolol +5.291
Carteolol
ME499513
-
C06874
5.291
-
Carteolol -7.542
Carteolol
ME499514
-
C06874
7.542
-
Cartilagineal
-
ME492691
-
C17102
3.1931999
-
Cartilagineal -3.944
-
ME499515
-
C17102
3.944
-
Carylophyllene Oxide
-
ME493299
-
-
1.4065
-
Caryoptin
Caryoptin
ME495686
-
C09070
7.7625
-
Caryoptin +5.3710003
Caryoptin
ME495687
-
C09070
5.3710003
-
Caryoptin -7.185
Caryoptin
ME499516
-
C09070
7.185
-
Caryoptin -9.055
Caryoptin
ME499517
-
C09070
9.055
-
(-)-Cassaic acid
-
ME494625
-
-
7.3585
-
Cassaidine
Cassaidine
ME490476
-
C08669
13.198313
-
Cassaidine +10.614
Cassaidine
ME493300
-
C08669
10.614
-
Cassaidine +13.289437
Cassaidine
ME490477
-
C08669
13.289437
-
Cassaidine +7.545667
Cassaidine
ME494151
-
C08669
7.545667
-
Cassiaside B2
-
ME493301
-
C17674
0.89049995
-
Castanospermine
Castanospermine
ME495688
-
C02256
1.6265
-
Castanospermine +1.393
Castanospermine
ME499518
-
C02256
1.393
-
Castanospermine +1.397
Castanospermine
ME493302
-
C02256
1.397
-
Castanospermine +3.516
Castanospermine
ME499519
-
C02256
3.516
-
Catechin 7-O-beta-D-xyloside
-
ME495689
-
-
5.5930004
-
Cauloside C
-
ME499520
-
-
0.888
-
Cavinine
-
ME495690
-
C08524
6.082
-
Cavinine +3.535
-
ME499521
-
C08524
3.535
-
Cavinine +6.967
-
ME499522
-
C08524
6.967
-
CAY10401
-
ME491669
-
-
9.708125
-
CAY10401 -10.588538
-
ME490928
-
-
10.588538
-
CAY10401 -9.663
-
ME499523
-
-
9.663
-
CAY10444
-
ME499524
-
-
3.055
-
CAY10449
-
ME499525
-
-
6.59
-
CAY10464
-
ME492692
-
-
0.83640003
-
CAY10485
-
ME495691
-
-
1.393
-
CAY10485 -1.586
-
ME499526
-
-
1.586
-
CAY10487
-
ME495692
-
-
4.1045
-
CAY10492
-
ME499527
-
-
10.74
-
CAY10492 +3.984
-
ME499528
-
-
3.984
-
CAY10506
-
ME495693
-
-
3.2625
-
CAY10514
-
ME499529
-
-
5.665
-
CAY10568
-
ME495694
-
-
3.979
-
CAY10572
-
ME499530
-
-
5.266
-
CAY10572 +5.284
-
ME499531
-
-
5.284
-
CAY10574
-
ME495695
-
-
5.373
-
CAY10581
-
ME499532
-
-
4.081
-
CAY10587
-
ME499533
-
-
3.619
-
CAY10587 +3.18
-
ME499534
-
-
3.18
-
CAY10589
-
ME490703
-
-
3.3279998
-
CAY10591
-
ME499535
-
-
6.887
-
CAY10594
-
ME491936
-
-
5.7262855
-
CAY10594 -6.3613334
-
ME494152
-
-
6.3613334
-
CAY10594 -6.649
-
ME499536
-
-
6.649
-
CAY10594 -6.8641996
-
ME492693
-
-
6.8641996
-
CAY10594 -7.057889
-
ME491465
-
-
7.057889
-
CAY10594 -7.168
-
ME499537
-
-
7.168
-
CAY10594 -7.84875
-
ME491670
-
-
7.84875
-
CAY10594 -8.029313
-
ME490478
-
-
8.029313
-
CAY10598
-
ME491308
-
-
6.0085998
-
CAY10598 +6.008167
-
ME492250
-
-
6.008167
-
CAY10599
-
ME499538
-
-
7.511
-
CAY10606
-
ME495696
-
-
1.6
-
CAY10606 +1.4035
-
ME495697
-
-
1.4035
-
CAY10622
-
ME495698
-
-
6.902
-
CAY10622 +4.118
-
ME499539
-
-
4.118
-
CAY10622 +4.528
-
ME499540
-
-
4.528
-
CAY10622 +5.2185
-
ME495699
-
-
5.2185
-
CAY10622 +5.533
-
ME499541
-
-
5.533
-
CAY10625
-
ME492694
-
-
6.783
-
CAY10625 -4.854
-
ME499542
-
-
4.854
-
CAY10625 -5.152
-
ME499543
-
-
5.152
-
CAY10625 -6.2405
-
ME495700
-
-
6.2405
-
CB-13
-
ME490479
-
-
11.013313
-
CB3717
10-Propargyl-5,8-dideazafolic acid
ME499544
-
C11737
1.613
-
CCT018159
-
ME499545
-
-
7.087
-
CCT018159 -7.062
-
ME499546
-
-
7.062
-
Ceanothine B
-
ME495701
-
C10001
7.1825
-
Ceanothine B -7.763
-
ME493303
-
C10001
7.763
-
Ceanothine B -9.06
-
ME499547
-
C10001
9.06
-
Cefazolin
Cefazolin
ME499548
-
C06880
5.034
-
Cefepime
Cefepime
ME499549
-
C08111
1.622
-
Ceftibuten
Ceftibuten
ME499550
-
C08117
5.467
-
Celastramycin A
-
ME493304
-
-
3.66475
-
Celiprolol
-
ME490480
-
-
4.7781878
-
Cellobiono-1,5-lactone
-
ME499551
-
C01093
1.609
-
Cephabacin F3
-
ME499552
-
C15824
6.432
-
Cephabacin F3 -0.89000005
-
ME493305
-
C15824
0.89000005
-
Cephabacin F3 -0.8915
-
ME495705
-
C15824
0.8915
-
Cephabacin F3 -6.422
-
ME499554
-
C15824
6.422
-
Cephabacin F3 -6.475
-
ME499555
-
C15824
6.475
-
Cephabacin F3 +6.485
-
ME499553
-
C15824
6.485
-
Cephabacin F3 -6.6495
-
ME495706
-
C15824
6.6495
-
Cephabacin F3 +6.6805
-
ME495702
-
C15824
6.6805
-
Cephabacin F3 -6.733
-
ME495707
-
C15824
6.733
-
Cephabacin F3 +6.7469997
-
ME495703
-
C15824
6.7469997
-
Cephabacin F3 -6.8105
-
ME495708
-
C15824
6.8105
-
Cephabacin F3 +6.823
-
ME495704
-
C15824
6.823
-
Cephalosporin C
-
ME499556
-
C00916
1.717
-
Cephalostatin 1
-
ME494153
-
C20060
10.612
-
Cerasin
-
ME495710
-
-
5.978
-
Cer(d18:1/18:1(11Z))
Cer 18:1;O2/18:1(11Z)*
ME499557
-
-
0.89
-
Cer(d18:1/22:0)
Cer 18:1;O2/22:0
ME499558
-
-
0.893
-
Cer(d18:1/24:0)
Cer 18:1;O2/24:0
ME492695
-
-
0.8844
-
Cer(d18:1/25:0)
Cer 18:1;O2/25:0
ME499559
-
-
0.881
-
Cer(d18:2/20:0)
Cer 18:2;O2/20:0
ME495709
-
-
0.892
-
CerP(d18:1/20:0)
CerP 18:1;O2/20:0
ME490481
-
-
13.472686
-
Cerrosillin
-
ME499560
-
-
5.29
-
CG 4305
-
ME492251
-
-
8.9955
-
CGP 28014
-
ME492696
-
C15477
13.7204
-
Chaksine
Chaksine
ME499561
-
C09940
9.913
-
Chaksine -6.809
Chaksine
ME499562
-
C09940
6.809
-
Chalcolactone
-
ME499563
-
C18848
6.312
-
Chalconaringenin 2'-O-glucoside 4'-O-gentobioside
-
ME492697
-
-
6.9591994
-
Chamanetin
-
ME499564
-
-
2.261
-
Chamissonolide
-
ME499565
-
-
3.105
-
Chavicol
-
ME492698
-
C16930
10.1284
-
Chavicol +10.146
-
ME499566
-
C16930
10.146
-
Chenodeoxycholic acid 3-sulfate
Chenodeoxycholic acid 3-sulfate
ME491466
-
-
7.2571115
-
Chenodeoxycholic acid 3-sulfate -7.4361663
Chenodeoxycholic acid 3-sulfate
ME492252
-
-
7.4361663
-
Chenodeoxycholic acid 3-sulfate -7.5486245
Chenodeoxycholic acid 3-sulfate
ME491671
-
-
7.5486245
-
Chenodeoxycholic acid 3-sulfate -7.6351995
Chenodeoxycholic acid 3-sulfate
ME492699
-
-
7.6351995
-
Chenodeoxycholic acid 3-sulfate -7.7619996
Chenodeoxycholic acid 3-sulfate
ME493306
-
-
7.7619996
-
Chenodeoxycholic acid 3-sulfate -7.858273
Chenodeoxycholic acid 3-sulfate
ME491154
-
-
7.858273
-
Chenodeoxycholic acid 3-sulfate -8.198167
Chenodeoxycholic acid 3-sulfate
ME492253
-
-
8.198167
-
Chenodeoxycholic acid 3-sulfate -8.2518
Chenodeoxycholic acid 3-sulfate
ME492700
-
-
8.2518
-
Chenodeoxycholic acid 3-sulfate -8.261
Chenodeoxycholic acid 3-sulfate
ME499567
-
-
8.261
-
Chenodeoxycholic acid 3-sulfate -8.3376665
Chenodeoxycholic acid 3-sulfate
ME492254
-
-
8.3376665
-
Chloral hydrate
Chloral hydrate
ME494154
-
C06899
0.88566667
-
Chloraminophenamide
Chloraminophenamide
ME491937
-
C07460
3.663143
-
Chlorate
-
ME492255
-
C01485
0.8848333
-
Chlordecone
-
ME494155
-
C01792
0.8863333
-
Chlordecone -0.8825
-
ME495711
-
C01792
0.8825
-
Chlordiazepoxide
-
ME499568
-
C06901
1.244
-
Chlorethoxyfos
Chlorethoxyfos
ME490929
-
C18677
0.8877693
-
Chlorfensulphide
-
ME499569
-
C19025
0.883
-
Chlorflavonin
Chlorflavonin
ME499570
-
C10027
3.263
-
Chlorhexidine
Chlorhexidine
ME494156
-
C06902
3.3056667
-
Chlorhexidine -3.395
Chlorhexidine
ME492701
-
C06902
3.395
-
Chlorhexidine -3.4520001
Chlorhexidine
ME495712
-
C06902
3.4520001
-
Chlormadinone acetate
Chlormadinone acetate
ME492702
-
C12729
10.2657995
-
Chlormadinone acetate -10.1145
Chlormadinone acetate
ME495713
-
C12729
10.1145
-
Chlormadinone acetate -10.532
Chlormadinone acetate
ME499571
-
C12729
10.532
-
Chlormezanone
-
ME499572
-
D00268
0.964
-
Chloroform
Chloroform
ME490482
-
C13827
0.90106237
-
Chloromebuform
-
ME490483
-
C19037
8.272063
-
Chloromebuform +8.103
-
ME499573
-
C19037
8.103
-
Chloromebuform +8.3107
-
ME491309
-
C19037
8.3107
-
Chloromebuform +8.424125
-
ME490484
-
C19037
8.424125
-
Chlorphoxim
-
ME499574
-
C18969
5.265
-
Chlorpyrifos-methyl
-
ME491155
-
C14520
0.82936364
-
Chlorquinaldol
-
ME499575
-
-
3.897
-
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranos...
-
ME499576
-
-
12.256
-
cholesta-5,7,8(14),22E-tetraen-3-one
-
ME499577
-
-
8.324
-
cholesterol sulfate
Cholesterol sulfate
ME492256
-
C18043
13.266
-
cholesteryl beta-D-glucoside
Cholesteryl beta-D-glucoside
ME490704
-
C03855
14.480599
-
Cholic acid glucuronide
Cholic acid glucuronide
ME492703
-
-
7.4087996
-
Cholic acid glucuronide +6.165
Cholic acid glucuronide
ME499578
-
-
6.165
-
Cholic acid glucuronide +6.2195
Cholic acid glucuronide
ME495714
-
-
6.2195
-
Cholic acid glucuronide -6.616
Cholic acid glucuronide
ME499582
-
C03033
6.616
-
Cholic acid glucuronide +6.723
Cholic acid glucuronide
ME499579
-
-
6.723
-
Cholic acid glucuronide +6.947333
Cholic acid glucuronide
ME494157
-
-
6.947333
-
Cholic acid glucuronide +6.954
Cholic acid glucuronide
ME499580
-
-
6.954
-
Cholic acid glucuronide +7.535
Cholic acid glucuronide
ME495715
-
-
7.535
-
Cholic acid glucuronide +7.728
Cholic acid glucuronide
ME499581
-
-
7.728
-
Cholic acid glucuronide +7.9916
Cholic acid glucuronide
ME492704
-
-
7.9916
-
Cholic Acid Methyl Ester
-
ME491156
-
-
6.176454
-
Cholic Acid Methyl Ester +6.1785
-
ME493307
-
-
6.1785
-
Choline
Choline
ME499583
-
C00114
1.278
-
Choline sulfate
Choline sulfate
ME495716
-
C00919
1.1159999
-
Choline sulfate +1.175
Choline sulfate
ME499584
-
C00919
1.175
-
Chorismic acid
Chorismic acid
ME499585
-
C00251
1.16
-
Chrysanthellin A
-
ME499586
-
-
9.256
-
CI Acid Orange 20
-
ME499587
-
C19371
4.381
-
CI Acid Orange 3
-
ME499588
-
C19370
3.498
-
CI Acid Orange 3 -3.857
-
ME499589
-
C19370
3.857
-
Cichoriin
-
ME499591
-
C09206
1.044
-
Cichoriin +1.198
-
ME499592
-
C09206
1.198
-
Cichoriin +1.365
-
ME499593
-
C09206
1.365
-
Cichorine
Cichorine
ME494158
-
C10581
3.5413332
-
ciclopirox
Ciclopirox
ME492257
-
-
3.7878335
-
Cilastatin
Cilastatin
ME499594
-
C01675
1.395
-
Cilazapril
-
ME499595
-
C11693
5.758
-
Cilazapril +6.031
-
ME499596
-
C11693
6.031
-
Cilazapril +6.283
-
ME499597
-
C11693
6.283
-
Cimetidine
Cimetidine
ME495717
-
D00295
3.0939999
-
Cimetidine +1.621
Cimetidine
ME499598
-
D00295
1.621
-
Cimicifugoside
Cimicifugoside
ME494159
-
C08935
5.6196666
-
Cimifugin
-
ME495718
-
C09000
4.8955
-
Cinchonidinone
-
ME499599
-
C16846
6.219
-
Cinchonidinone +6.263
-
ME499600
-
C16846
6.263
-
Cinnamaldehyde
Cinnamaldehyde
ME499601
-
C00903
3.51
-
Cinnamodial
-
ME499602
-
C09638
3.003
-
Cinnamodial +5.355
-
ME499603
-
C09638
5.355
-
Cinncassiol C1
-
ME499604
-
C17643
5.042
-
Cinncassiol C1 +4.61
-
ME499605
-
C17643
4.61
-
Cinncassiol C3
-
ME495719
-
C17641
7.4355
-
Cinncassiol E
-
ME495720
-
C17659
4.6005
-
Cinncassiol E +4.609
-
ME499606
-
C17659
4.609
-
Cinobufagin
-
ME499607
-
C16931
8.176
-
Cinobufagin +8.272
-
ME499608
-
C16931
8.272
-
CI Pigment Red 3
-
ME499590
-
C19373
4.723
-
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
-
ME499610
-
C14102
3.471
-
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene
ME499611
-
C06721
0.96
-
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]q...
-
ME493308
-
C15462
3.5885
-
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
-
ME499612
-
C06579
5.651
-
cis-2-Carboxycyclohexyl-acetic acid
cis-2-Carboxycyclohexyl-acetic acid
ME492258
-
C14112
5.2615
-
cis-2-Carboxycyclohexyl-acetic acid -1.39
cis-2-Carboxycyclohexyl-acetic acid
ME499613
-
C14112
1.39
-
cis-2-Carboxycyclohexyl-acetic acid -3.052
cis-2-Carboxycyclohexyl-acetic acid
ME499614
-
C14112
3.052
-
cis-2-Carboxycyclohexyl-acetic acid -3.314
cis-2-Carboxycyclohexyl-acetic acid
ME499615
-
C14112
3.314
-
cis-2-Carboxycyclohexyl-acetic acid -4.093
cis-2-Carboxycyclohexyl-acetic acid
ME499616
-
C14112
4.093
-
cis-2-Carboxycyclohexyl-acetic acid -4.457
cis-2-Carboxycyclohexyl-acetic acid
ME499617
-
C14112
4.457
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499618
-
C11456
3.304
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME495721
-
C11456
1.1255
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME492705
-
C11456
3.3737998
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499620
-
C11456
3.704
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499621
-
C11456
4.058
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME495722
-
C11456
4.1765003
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499622
-
C11456
4.245
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499623
-
C11456
4.337
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499624
-
C11456
4.478
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499625
-
C11456
4.7
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499626
-
C11456
5.009
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499627
-
C11456
5.152
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME499619
-
C11456
5.168
-
cis-5,8,11,14-eicosatetraynoyl ethanolamide
-
ME499628
-
-
4.371
-
cis-5-Tetradecenoylcarnitine
CAR 14:1
ME490826
-
-
12.298429
-
cis-ACCP
-
ME499629
-
-
3.674
-
cis-ACCP +1.161
-
ME495723
-
-
1.161
-
cis-ACCP +1.333
-
ME499630
-
-
1.333
-
cis-ACCP -3.372
-
ME499631
-
-
3.372
-
cis-Caryophyllene
-
ME494160
-
-
10.134
-
cis-Caryophyllene +10.13375
-
ME493309
-
-
10.13375
-
cis-Caryophyllene +10.214001
-
ME492706
-
-
10.214001
-
cis-Caryophyllene +10.393535
-
ME490705
-
-
10.393535
-
cis-Caryophyllene +10.4187
-
ME491310
-
-
10.4187
-
cis-Caryophyllene +10.475666
-
ME494161
-
-
10.475666
-
cis-Caryophyllene +10.4766
-
ME490706
-
-
10.4766
-
cis-Caryophyllene +10.665
-
ME499632
-
-
10.665
-
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadieno...
-
ME499609
-
C18318
3.302
-
cis-Jasmone
cis-Jasmone
ME499633
-
C08490
1.562
-
Cisplatin
-
ME499634
-
C06911
5.265
-
cis-stilbene oxide
-
ME499635
-
C16014
1.396
-
cis-stilbene oxide +1.62
-
ME499636
-
C16014
1.62
-
cis-Zeatin
cis-Zeatin
ME491672
-
C15545
1.7256249
-
cis-Zeatin +1.01
cis-Zeatin
ME493310
-
C15545
1.01
-
cis-Zeatin +1.033
cis-Zeatin
ME499637
-
C15545
1.033
-
cis-Zeatin +1.6605
cis-Zeatin
ME492259
-
C15545
1.6605
-
cis-Zeatin +2.58825
cis-Zeatin
ME491673
-
C15545
2.58825
-
cis-Zeatin +2.7300003
cis-Zeatin
ME494162
-
C15545
2.7300003
-
cis-Zeatin +3.3613331
cis-Zeatin
ME494163
-
C15545
3.3613331
-
cis-Zeatin +3.393
cis-Zeatin
ME499638
-
C15545
3.393
-
cis-Zeatin +3.676875
cis-Zeatin
ME490485
-
C15545
3.676875
-
Citalopram-N-Oxide
-
ME499640
-
C16607
3.048
-
Citalopram-N-Oxide +3.71
-
ME499641
-
C16607
3.71
-
Citalopram propionic acid
-
ME499639
-
C16610
3.712
-
Citrus Red No.2
-
ME495724
-
C19214
1.379
-
Citrus Red No.2 +1.3973333
-
ME494164
-
C19214
1.3973333
-
clemastine
-
ME499642
-
C06913
1.397
-
Clitidine
-
ME499643
-
C19977
0.938
-
Clobetasol propionate
Clobetasol propionate
ME495725
-
-
3.0384998
-
Clofazimine
Clofazimine
ME495726
-
C06915
7.4645004
-
Clofazimine -7.8405004
Clofazimine
ME493311
-
C06915
7.8405004
-
Clofazimine -8.395
Clofazimine
ME495727
-
C06915
8.395
-
Clofazimine -8.446
Clofazimine
ME499644
-
C06915
8.446
-
Clonidine
-
ME490486
-
C06920
0.9635
-
CMP-N-acetylneuraminic acid
CMP-N-acetylneuraminic acid
ME499645
-
C00128
3.299
-
CMP-N-acetylneuraminic acid -3.3475
CMP-N-acetylneuraminic acid
ME495728
-
C00128
3.3475
-
Cocaine
Cocaine
ME494165
-
C01416
4.67
-
Cocaine +5.45
Cocaine
ME499646
-
C01416
5.45
-
Codeine
Codeine
ME499647
-
C06174
8.211
-
Coformycin
Coformycin
ME499648
-
C01677
1.608
-
Coformycin +1.13
Coformycin
ME499649
-
C01677
1.13
-
Coformycin -1.388
Coformycin
ME499650
-
C01677
1.388
-
Coixinden B
-
ME499651
-
C17917
4.26
-
Colchicine
-
ME495729
-
C07592
6.5080004
-
Conchosin B
-
ME493312
-
C09373
6.451
-
Confertifolin
-
ME490487
-
C09376
11.461374
-
Confertifolin +5.181
-
ME499652
-
C09376
5.181
-
Convalloside
-
ME499653
-
C19986
8.336
-
Convicine
Convicine
ME491311
-
C08430
3.405
-
Convolamine
-
ME493313
-
C10854
3.9472501
-
Convolamine +7.08
-
ME499654
-
C10854
7.08
-
Convolvine
Convolvine
ME495730
-
C10856
5.474
-
Copalliferol B
-
ME494166
-
C10252
6.963
-
Copalliferol B -6.885
-
ME499655
-
C10252
6.885
-
Coprine
Coprine
ME499656
-
C08271
2.311
-
Coproporphyrin I
Coproporphyrin I
ME499657
-
C05769
8.74
-
Cordycepin
-
ME494167
-
C08431
3.2159998
-
Cordycepin +0.942
-
ME491467
-
C08431
0.942
-
Coriose
-
ME499658
-
C19612
1.003
-
Coroglaucigenin-3-o-alpha-L-rhamnopyranoside
-
ME494168
-
C17524
5.9806666
-
Coronatine
-
ME499659
-
C16790
4.906
-
Coronene
Coronene
ME499660
-
C19375
7.522
-
Cortancyl
Cortancyl
ME499661
-
C14668
6.867
-
Cortancyl +3.815
Cortancyl
ME499662
-
C14668
3.815
-
Cortisol 21-acetate
Cortisol 21-acetate
ME499663
-
C02821
6.89
-
Cortisol 21-acetate +1.03
Cortisol 21-acetate
ME499664
-
C02821
1.03
-
Cortisone acetate
Cortisone acetate
ME499665
-
C08173
6.337
-
Corymbosin
-
ME499666
-
-
3.547
-
Corynantheal
-
ME499667
-
C16735
1.007
-
Corynoline
-
ME492707
-
-
4.6898
-
Corynoline +1.401
-
ME499668
-
-
1.401
-
Corynoline +3.259
-
ME499669
-
-
3.259
-
Corynoline +4.642
-
ME499670
-
-
4.642
-
Costatone
-
ME491312
-
C17104
0.8875
-
Costunolide
Costunolide
ME495731
-
C09382
3.433
-
Cotylenin F
Cotylenin F
ME499671
-
C09078
5.969
-
Coumarin
Coumarin
ME499672
-
C05851
1.018
-
Coumatetralyl
-
ME495732
-
C16806
3.168
-
Coumatetralyl +4.1685
-
ME495733
-
C16806
4.1685
-
Coumermic acid
-
ME495734
-
C12479
6.6260004
-
CP 80633
-
ME499673
-
-
4.472
-
CPA(18:0)
CPA 18:0*
ME499674
-
-
6.283
-
CPA(18:1(9Z))
CPA 18:1(9Z)*
ME494169
-
-
6.1680007
-
CPA(18:1(9Z)) +6.085
CPA 18:1(9Z)*
ME499675
-
-
6.085
-
CPA(18:2(9Z,12Z)/0:0)
-
ME499676
-
-
6.232
-
Crassin Acetate
-
ME491313
-
-
5.8946
-
Crassin Acetate +5.5943336
-
ME492260
-
-
5.5943336
-
Creatinol-O-Phosphate
-
ME499677
-
-
3.069
-
Creatinol-O-Phosphate +3.33
-
ME499678
-
-
3.33
-
Credazine
-
ME491314
-
C19116
1.4009
-
Crenatine A
-
ME495735
-
C10002
6.8125
-
Crenatine A -6.9795
-
ME495736
-
C10002
6.9795
-
Crenatine A -7.0230002
-
ME494170
-
C10002
7.0230002
-
Crenatine A -7.335
-
ME499679
-
C10002
7.335
-
Crenatine A -7.627
-
ME495737
-
C10002
7.627
-
Crossbyanol A
-
ME499680
-
-
9.081
-
Crotamiton
Crotamiton
ME493314
-
D01381
1.29875
-
Crotanecine
Crotanecine
ME491468
-
C10284
1.2427777
-
Crotanecine +1.003
Crotanecine
ME495738
-
C10284
1.003
-
Crotanecine +1.107
Crotanecine
ME499681
-
C10284
1.107
-
Crotanecine +1.398
Crotanecine
ME491674
-
C10284
1.398
-
Crotanecine +3.196
Crotanecine
ME499682
-
C10284
3.196
-
Cryptophorine
Cryptophorine
ME492708
-
C10139
3.9773998
-
Cucurbitacin D
-
ME499683
-
C08796
8.945
-
Cucurbitacin D -9.012
-
ME499684
-
C08796
9.012
-
Cucurbitacin F
Cucurbitacin F
ME499685
-
C08798
8.868
-
Cucurbitacin S
Cucurbitacin S
ME495739
-
C08806
12.379999
-
Cumene
Isopropylbenzene
ME495740
-
C14396
1.1175001
-
Cyanidin
Cyanidin
ME492709
-
C05905
1.071
-
?-Cyano-3-Hydroxycinnamic Acid
-
ME494672
-
-
4.484
-
Cyanotriphenylborate
-
ME495741
-
C13721
5.389
-
Cyanotriphenylborate +1.6265
-
ME495742
-
C13721
1.6265
-
Cyanotriphenylborate +3.352
-
ME499686
-
C13721
3.352
-
Cybutryne
-
ME499687
-
C10927
3.137
-
Cyclamin
-
ME494171
-
C08938
9.083
-
Cyclamin +9.122
-
ME499688
-
C08938
9.122
-
Cyclamin +9.238251
-
ME493315
-
C08938
9.238251
-
cyclandelate
Cyclandelate
ME491675
-
-
9.452499
-
cyclandelate -10.770583
Cyclandelate
ME491039
-
-
10.770583
-
Cycleanine
-
ME494172
-
C17387
7.873667
-
Cycleanine +7.947
-
ME495743
-
C17387
7.947
-
Cycleanine +8.1725
-
ME495744
-
C17387
8.1725
-
Cycleanine +8.24
-
ME499689
-
C17387
8.24
-
Cycleanine +8.301
-
ME494173
-
C17387
8.301
-
Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(ac...
-
ME499690
-
C14990
5.611
-
Cyclizine
Cyclizine
ME499691
-
C06930
5.678
-
Cycloheximide
Cycloheximide
ME495745
-
C06685
3.7354999
-
Cycloheximide +4.036
Cycloheximide
ME499692
-
C06685
4.036
-
cyclohexylammonium
Cyclohexylamine
ME493316
-
C00571
0.86324996
-
cyclohexylammonium +3.5630002
Cyclohexylamine
ME495746
-
C00571
3.5630002
-
Cyclohexylsulfamate
Cyclamic acid
ME499693
-
C02824
1.119
-
Cyclohexylsulfamate +1.402
Cyclamic acid
ME499694
-
C02824
1.402
-
Cyclohexylsulfamate -5.676
Cyclamic acid
ME499695
-
C02824
5.676
-
Cycluron
-
ME494174
-
C19109
1.5746666
-
Cycluron +1.63
-
ME499696
-
C19109
1.63
-
Cycluron +1.633
-
ME499697
-
C19109
1.633
-
Cycluron +1.806
-
ME495747
-
C19109
1.806
-
Cycluron +3.003
-
ME499698
-
C19109
3.003
-
Cyflufenamid
-
ME495748
-
C18516
1.3895
-
Cymarin
Cymarin
ME491676
-
C08859
7.3662496
-
Cymarin -7.415
Cymarin
ME499699
-
C08859
7.415
-
Cymarin -7.5345554
Cymarin
ME491469
-
C08859
7.5345554
-
Cymather aldehyde methyl ester
-
ME495749
-
-
4.992
-
Cymather aldehyde methyl ester +5.223
-
ME499700
-
-
5.223
-
Cymather aldehyde methyl ester +5.3450003
-
ME495750
-
-
5.3450003
-
Cymather aldehyde methyl ester +5.4361253
-
ME491677
-
-
5.4361253
-
Cymather aldehyde methyl ester +6.069
-
ME499701
-
-
6.069
-
Cymather aldehyde methyl ester +7.562
-
ME499702
-
-
7.562
-
Cymoxanil
-
ME499703
-
C18498
1.403
-
Cymoxanil -1.3706666
-
ME494175
-
C18498
1.3706666
-
Cymoxanil -1.3955
-
ME493317
-
C18498
1.3955
-
Cymoxanil -3.231
-
ME495751
-
C18498
3.231
-
Cymoxanil +3.331
-
ME499704
-
C18498
3.331
-
Cynometrine
-
ME499705
-
C10587
3.396
-
Cyometrinil
-
ME499706
-
C19117
4.006
-
Cypendazole
-
ME491678
-
C18917
3.0426247
-
Cyromazine
-
ME491679
-
C14147
1.336125
-
Cys Ala Val
Cys-Ala-Val
ME499707
-
-
3.579
-
Cys Ala Val +3.575
Cys-Ala-Val
ME499708
-
-
3.575
-
Cys Cys Trp
Cys-Cys-Trp
ME499709
-
-
3.139
-
Cys Gly Asn
Cys-Gly-Asn
ME499710
-
-
0.96
-
Cys His Gly
Cys-His-Gly
ME499711
-
-
5.948
-
Cys Lys Gly
Cys-Lys-Gly
ME490488
-
-
9.454438
-
Cys Lys His
Cys-Lys-His
ME495752
-
-
1.4015
-
Cys Lys His -4.942
Cys-Lys-His
ME499712
-
-
4.942
-
Cys Lys His -5.8677497
Cys-Lys-His
ME493318
-
-
5.8677497
-
Cys Lys His -6.1503334
Cys-Lys-His
ME492261
-
-
6.1503334
-
Cys Lys His -6.286
Cys-Lys-His
ME499713
-
-
6.286
-
Cys Phe Ala
Cys-Phe-Ala
ME499714
-
-
3.372
-
Cys Phe Ile
Cys-Phe-Ile
ME492262
-
-
1.0556666
-
Cys Phe Ile +1.07
Cys-Phe-Ile
ME499715
-
-
1.07
-
Cys Pro
Cys-Pro
ME492710
-
-
3.8315997
-
Cys Pro +3.4285002
Cys-Pro
ME495753
-
-
3.4285002
-
Cys Ser Ser
Cys-Ser-Ser
ME499716
-
-
3.163
-
Cys Thr His
Cys-Thr-His
ME495754
-
-
3.815
-
Cys Thr Met
Cys-Thr-Met
ME499717
-
-
4.469
-
Cys Trp Ala
Cys-Trp-Ala
ME499718
-
-
6.662
-
Cys Tyr
Cys-Tyr
ME494176
-
-
3.8773334
-
Cys Val Gly
Cys-Val-Gly
ME490707
-
-
4.1838665
-
Cytosine
Cytosine
ME495755
-
C00380
1.019
-
Cytosine +1.022
Cytosine
ME499719
-
C00380
1.022
-
Cytosine +1.3966666
Cytosine
ME494177
-
C00380
1.3966666
-
Cytosine +1.6193334
Cytosine
ME494178
-
C00380
1.6193334
-
DAHP
-
ME499723
-
-
1.392
-
D-Alanyl-D-serine
-
ME494180
-
C19719
0.9353333
-
Dalpalatin
-
ME499724
-
-
4.885
-
DAPT
-
ME499725
-
-
3.298
-
Darlingine
Darlingine
ME494181
-
C10857
1.624
-
Darlingine +1.395
Darlingine
ME499726
-
C10857
1.395
-
Darlingine +3.074
Darlingine
ME495756
-
C10857
3.074
-
Darlingine +3.849
Darlingine
ME499727
-
C10857
3.849
-
D-Aspartic acid
D-Aspartic acid
ME490489
-
C00402
0.9181875
-
D-Aspartic acid +1.1485
D-Aspartic acid
ME495757
-
C00402
1.1485
-
Dauricine
Dauricine
ME499728
-
C09419
6.678
-
Dauricine +6.7705
Dauricine
ME495758
-
C09419
6.7705
-
Dauricine +8.084
Dauricine
ME499729
-
C09419
8.084
-
Dauricine +8.43
Dauricine
ME499730
-
C09419
8.43
-
Davidigenin
-
ME499731
-
C09618
0.972
-
Davidigenin -7.777
-
ME499732
-
C09618
7.777
-
D-Camphorsulfonate
-
ME494182
-
D00612
8.399333
-
D-(+)-Cellobiose
Cellobiose
ME491938
-
-
1.0381429
-
d-Dethiobiotin
Dethiobiotin
ME492711
-
C01909
3.4495997
-
d-Dethiobiotin +2.931
Dethiobiotin
ME499733
-
C01909
2.931
-
d-Dethiobiotin +3.954
Dethiobiotin
ME499734
-
C01909
3.954
-
Deacetyldiltiazem
-
ME495759
-
-
1.401
-
Deacetylisoipecoside
-
ME495760
-
C07304
5.3575
-
Deaminohydroxyblasticidin S
-
ME499735
-
C03860
5.9
-
Deazaflavin
-
ME495761
-
C01800
1.633
-
Debrisoquine
Debrisoquine
ME491939
-
C13650
5.011571
-
Debromoaplysiatoxin
-
ME495762
-
C05148
6.948
-
Debromoaplysiatoxin -11.81
-
ME495763
-
C05148
11.81
-
Debromoaplysiatoxin -6.933286
-
ME490827
-
C05148
6.933286
-
Debromoaplysiatoxin +6.9469995
-
ME490930
-
C05148
6.9469995
-
Debromoaplysiatoxin -7.816
-
ME499736
-
C05148
7.816
-
Debromoaplysiatoxin -9.0436
-
ME492712
-
C05148
9.0436
-
Debromoaplysiatoxin -9.205714
-
ME491940
-
C05148
9.205714
-
Debromohymenialdisine
-
ME495764
-
C19897
1.6625
-
Debromohymenialdisine -1.6155
-
ME495765
-
C19897
1.6155
-
decanamide
Decanamide
ME490931
-
-
9.595922
-
Decanoyl m-Nitroaniline
-
ME495766
-
-
7.2985
-
Decanoyl m-Nitroaniline +4.687
-
ME499737
-
-
4.687
-
Decanoyl m-Nitroaniline +5.045
-
ME499738
-
-
5.045
-
Decenedioic acid
Decenedioic acid
ME491157
-
-
4.7320905
-
Decenedioic acid +4.6705003
Decenedioic acid
ME492263
-
-
4.6705003
-
decoquinate
-
ME499739
-
-
7.323
-
Decoside
Decoside
ME491680
-
C08860
7.2454996
-
Decoside -6.619
Decoside
ME499740
-
C08860
6.619
-
Decoside -6.717
Decoside
ME499741
-
C08860
6.717
-
Decoside -7.39275
Decoside
ME493319
-
C08860
7.39275
-
Decoside -7.8605003
Decoside
ME495767
-
C08860
7.8605003
-
Decoside -7.888
Decoside
ME495768
-
C08860
7.888
-
Decoside -7.9797506
Decoside
ME493320
-
C08860
7.9797506
-
Decoside -8.338
Decoside
ME499742
-
C08860
8.338
-
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME499743
-
C06559
4.548
-
Deethylatrazine -4.721
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME499744
-
C06559
4.721
-
Deethylatrazine -4.951
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME499745
-
C06559
4.951
-
Dehydroabietamide
-
ME495769
-
-
4.264
-
Dehydroandrosterone
Dehydroandrosterone
ME499746
-
-
11.814
-
Dehydrocycloxanthohumol hydrate
-
ME499747
-
-
1.627
-
Dehydrodolineone
-
ME499748
-
-
0.962
-
Dehydrofalcarinol
-
ME499749
-
C17716
6.618
-
Dehydrofalcarinone
Dehydrofalcarinone
ME499750
-
C08445
3.774
-
Dehydrofalcarinone +4.764
Dehydrofalcarinone
ME495770
-
C08445
4.764
-
Dehydroisoandrosterone 3-glucuronide
-
ME499751
-
C03033
8.288
-
Dehydrongaione
-
ME499752
-
C09660
3.216
-
Dehydronimodipine
-
ME499753
-
-
3.445
-
Dehydronimodipine -10.912666
-
ME494183
-
-
10.912666
-
Dehydrotestosterone
-
ME493321
-
C14502
5.2775
-
Dehydrotoxicarol
-
ME499754
-
-
7.484
-
Deidaclin
-
ME499755
-
C08329
0.933
-
Deisopropylhydroxyatrazine
-
ME499756
-
C06557
0.998
-
Delcorine
Delcorine
ME499757
-
C08675
6.198
-
Delcosine
Delcosine
ME492713
-
C08676
10.599199
-
Delphinidin 3-(2''-galloylgalactoside)
-
ME499758
-
-
5.603
-
Demethylazelastine
-
ME499759
-
-
1.007
-
Demethylcitalopram
N-Desmethylcitalopram
ME495771
-
C16608
7.2475004
-
Demethylsulochrin
-
ME494184
-
C15504
1.0943333
-
Demeton-S-methyl
-
ME491040
-
C18655
0.9629167
-
Deoxy-5-methylcytidylate
-
ME499760
-
C03495
0.95
-
Deoxyanisatin
-
ME499761
-
C12076
4.461
-
Deoxyanisatin +5.052
-
ME499762
-
C12076
5.052
-
Deoxycytidine
Deoxycytidine
ME499763
-
C00881
1.2
-
Deoxycytosine
Deoxycytosine
ME499764
-
C02026
1.269
-
Deoxygedunol Acetate
-
ME495772
-
-
8.3525
-
Deoxygomisin A
-
ME495773
-
C10555
5.792
-
Deoxygomisin A -5.8764
-
ME492714
-
C10555
5.8764
-
Deoxygomisin A -6.42
-
ME495774
-
C10555
6.42
-
Deoxygomisin A -7.4995003
-
ME495775
-
C10555
7.4995003
-
Deoxyguanidinoproclavaminic acid
Deoxyamidinoproclavaminic acid
ME491681
-
C06656
1.136625
-
Deoxyguanidinoproclavaminic acid -1.128
Deoxyamidinoproclavaminic acid
ME495776
-
C06656
1.128
-
Deoxylapachol
Deoxylapachol
ME499765
-
C10325
1.403
-
Deoxymiroestrol
Deoxymiroestrol
ME490490
-
C18164
11.497439
-
Deoxymiroestrol +11.6095
Deoxymiroestrol
ME495777
-
C18164
11.6095
-
Deoxymiroestrol +11.6236
Deoxymiroestrol
ME491315
-
C18164
11.6236
-
Deoxymiroestrol +11.666751
Deoxymiroestrol
ME490491
-
C18164
11.666751
-
Deoxymiroestrol +11.729811
Deoxymiroestrol
ME490492
-
C18164
11.729811
-
Deoxysappanone B Trimethyl Ether
-
ME492715
-
-
4.1036005
-
Deoxythymidine triphosphate (dTTP)
dTTP
ME491941
-
C00459
5.029143
-
Depdecin
Depdecin
ME495778
-
-
4.0550003
-
Depdecin +3.59
Depdecin
ME499766
-
-
3.59
-
Derricin
-
ME492264
-
-
5.3128333
-
Derricin +5.4273334
-
ME490708
-
-
5.4273334
-
D-erythro-Sphingosine C-15
-
ME494185
-
-
11.016334
-
Desacetylcolchicine
-
ME499767
-
C16712
4.639
-
Desacetylcolchicine +5.305
-
ME499768
-
C16712
5.305
-
Desacetylvinblastine
-
ME499769
-
-
0.907
-
Descarboethoxyloratadine
-
ME499770
-
-
3.16
-
Descarboethoxyloratadine +5.211
-
ME495779
-
-
5.211
-
Descinolone acetonide
-
ME493322
-
C14653
9.106001
-
Desethylchloroquine
Desethylchloroquine
ME499771
-
-
6.511
-
desethyletomidate
-
ME494186
-
-
4.1946664
-
desethyletomidate +4.548
-
ME499772
-
-
4.548
-
(±)-Desethylhydroxychloroquine
-
ME496604
-
-
5.456
-
Desethyl-N-acetylprocainamide
-
ME495780
-
-
1.1275
-
Desethyl-N-acetylprocainamide +1.306
-
ME499773
-
-
1.306
-
Desflurane
-
ME491682
-
C07519
0.818125
-
Desglucomusennin
-
ME499774
-
C08940
5.599
-
Desmethyl BMPN-benzoic acid glucuronide
-
ME499775
-
-
3.298
-
Desmethyldescarbamoylnovobiocin
-
ME494188
-
C12475
7.4676666
-
Desmethyldescarbamoylnovobiocin +5.028
-
ME499776
-
C12475
5.028
-
Desmethyldescarbamoylnovobiocin -7.791
-
ME499777
-
C12475
7.791
-
Desmethyldeschlorobenzoyl Indomethacin
-
ME493323
-
-
5.16775
-
Desmethyldeschlorobenzoyl Indomethacin +3.463
-
ME499778
-
-
3.463
-
Desmethyl fluvoxamine
-
ME494187
-
-
3.8079998
-
Desmethyl fluvoxamine +5.174333
-
ME492265
-
-
5.174333
-
Desmethylloperamide
-
ME494189
-
-
7.767
-
Desmethylnaproxen-6-O-sulfate
-
ME499779
-
-
4.639
-
Desmethylnizatidine
-
ME499780
-
-
3.174
-
desmethylnortriptyline glucuronide
-
ME490493
-
-
11.429438
-
desmethylnortriptyline glucuronide -11.437
-
ME499781
-
-
11.437
-
desmethylnortriptyline glucuronide -11.509001
-
ME490932
-
-
11.509001
-
desmethylnortriptyline glucuronide -11.5342
-
ME492716
-
-
11.5342
-
desmethylnortriptyline glucuronide -11.651071
-
ME490828
-
-
11.651071
-
Desmethylondansetron
-
ME494190
-
-
9.2109995
-
Desmethylpirenzepine
-
ME491942
-
-
6.435
-
Desmethylpirenzepine +3.517
-
ME499782
-
-
3.517
-
Desmethylpirenzepine +4.014
-
ME499783
-
-
4.014
-
Desmethylpirenzepine +4.692
-
ME499784
-
-
4.692
-
Desmethylpirenzepine +6.389
-
ME494191
-
-
6.389
-
Desmethylpirenzepine +6.45
-
ME499785
-
-
6.45
-
Desmethylranitidine
-
ME493324
-
-
1.3965
-
Desmethylsufentanil
-
ME493325
-
-
3.397
-
Desmethylsufentanil -3.997
-
ME499786
-
-
3.997
-
Desmethylsufentanil -4.32
-
ME499787
-
-
4.32
-
Desmethyltrimeprazine
-
ME499788
-
-
4.227
-
Desmethyltrimeprazine +1.392
-
ME499789
-
-
1.392
-
Desmethyltrimipramine glucuronide
-
ME499790
-
-
6.585
-
Desmethyltrimipramine glucuronide -6.806
-
ME499791
-
-
6.806
-
Desmethyltrimipramine glucuronide -6.903
-
ME499792
-
-
6.903
-
Desmetryn
-
ME499793
-
C19100
1.631
-
Desmetryn +1.628
-
ME495781
-
C19100
1.628
-
Desomorphine
-
ME490494
-
-
11.410439
-
Desomorphine +1.398
-
ME499794
-
-
1.398
-
Desomorphine +4.215
-
ME499795
-
-
4.215
-
dexbrompheniramine
-
ME499796
-
-
1.043
-
dexbrompheniramine -1.06
-
ME499797
-
-
1.06
-
Dexfenfluramine
-
ME495782
-
-
1.175
-
Dexmedetomidine
-
ME499798
-
C07450
1.06
-
Dexnorfenfluramine
-
ME492717
-
-
0.97299993
-
Dexnorfenfluramine +3.889
-
ME499799
-
-
3.889
-
dexpanthenol
Pantothenol
ME493326
-
C05944
1.397
-
dexpanthenol +1.6205001
Pantothenol
ME493327
-
C05944
1.6205001
-
Dextromethorphan
Dextromethorphan
ME492718
-
D00848
1.3539999
-
Dextromethorphan +3.327
Dextromethorphan
ME499800
-
D00848
3.327
-
Dextrorphan sulfate
-
ME499801
-
-
1.618
-
D-Fructofuranose 1,2':2,3'-dianhydride
-
ME491683
-
C04420
1.0825001
-
D-Fructofuranose 1,2':2,3'-dianhydride -1.038
-
ME499802
-
C04420
1.038
-
D-Fructofuranose 1,2':2,3'-dianhydride -1.056
-
ME499803
-
C04420
1.056
-
D-Fructofuranose 1,2':2,3'-dianhydride +1.0755
-
ME493328
-
C04420
1.0755
-
D-Fructofuranose 1,2':2,3'-dianhydride +1.1516249
-
ME491684
-
C04420
1.1516249
-
D-Fructofuranose 1,2':2,3'-dianhydride +1.2064999
-
ME492266
-
C04420
1.2064999
-
D-Fructofuranose 1,2':2,3'-dianhydride +1.2639999
-
ME492267
-
C04420
1.2639999
-
D-Fructofuranose 1,2':2,3'-dianhydride +1.3396667
-
ME492268
-
C04420
1.3396667
-
D-Fructofuranose 1,2':2,3'-dianhydride -1.38625
-
ME493329
-
C04420
1.38625
-
D-Fructuronic acid
-
ME492269
-
C00905
0.9211667
-
D-Fructuronic acid +0.9292
-
ME492719
-
C00905
0.9292
-
D-Fuconate
-
ME499804
-
C01680
0.961
-
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME493330
-
-
13.121499
-
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) -13.109...
DG 18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME493331
-
-
13.109749
-
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) +13.118...
DG 18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME492720
-
-
13.118199
-
DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
DG 20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0*
ME492721
-
-
14.728201
-
DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG 20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME499805
-
-
0.895
-
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
DG 22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME490933
-
-
13.733384
-
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +...
DG 22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME495783
-
-
13.606501
-
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +...
DG 22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME490829
-
-
13.735144
-
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0...
DG 22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0*
ME492270
-
-
13.123
-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)
DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0*
ME490495
-
-
13.720687
-
DG(24:1(15Z)/20:0/0:0)
DG 24:1(15Z)/20:0/0:0*
ME495784
-
-
0.8995
-
DG(24:1(15Z)/20:0/0:0) +0.90375
DG 24:1(15Z)/20:0/0:0*
ME493332
-
-
0.90375
-
D-Gal ? 1-6D-Gal ? 1-6D-Glucose
-
ME499806
-
C05404
1.103
-
D-Galacturonolactone
-
ME494192
-
C06430
0.928
-
?-D-Glucopyranosiduronic acid, 2-(1H-indol-4-yloxy...
-
ME494673
-
-
4.194
-
D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME499807
-
C06156
3.271
-
D-Glucose oxime
Glucosoxime
ME499808
-
C02264
3.852
-
D-Glucosyldihydrosphingosine
D-Glucosyldihydrosphingosine
ME495785
-
C03858
12.932
-
D-Glucosyldihydrosphingosine +14.052
D-Glucosyldihydrosphingosine
ME499809
-
C03858
14.052
-
D-Glutamine
D-Glutamine
ME494193
-
C00819
1.6573334
-
D-Glutamine +0.929
D-Glutamine
ME499810
-
C00819
0.929
-
DHOAA(AcO)-Val-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe
-
ME499811
-
-
7.002
-
D-?-Hydroxyglutaric acid
Hydroxyglutaric acid
ME494179
-
-
11.926
-
Di(2-ethylhexyl) adipate
Diethylhexyl adipate
ME490496
-
C14240
14.083813
-
Di(2-ethylhexyl) adipate +14.086
Diethylhexyl adipate
ME499812
-
C14240
14.086
-
Diacetyl
Diacetyl
ME491685
-
C00741
0.99075
-
Diacetyl +1.0835
Diacetyl
ME493333
-
C00741
1.0835
-
Diacetyl +1.386
Diacetyl
ME499813
-
C00741
1.386
-
Diacetyl -1.388
Diacetyl
ME495786
-
C00741
1.388
-
Diacetylaminoazotoluene
-
ME499814
-
C17380
1.406
-
diacylglycerol kinase inhibitor i
-
ME492722
-
-
4.6784005
-
Diallyl Trisulfide
-
ME499815
-
-
1.636
-
Diamidafos
-
ME499816
-
C19035
4.319
-
Dibekacin
-
ME490934
-
-
10.267308
-
Dibekacin +6.326
-
ME499817
-
-
6.326
-
Dibenz[c,h]acridine
-
ME499818
-
C20122
3.315
-
Dibenz[c,h]acridine +4.518
-
ME499819
-
C20122
4.518
-
Dibenzo[e,l]pyrene
-
ME494194
-
C19394
0.99799997
-
DIBOA
-
ME495787
-
C15770
3.815
-
DIBOA +0.925
-
ME495788
-
C15770
0.925
-
DIBOA +3.701
-
ME494195
-
C15770
3.701
-
Dibutyl phthalate
Dibutyl phthalate
ME495789
-
C14214
1.1435001
-
Dibutyl succinate
-
ME499820
-
C19143
6.111
-
Dibutyl succinate +1.612
-
ME495790
-
C19143
1.612
-
Dibutyl succinate -5.2425003
-
ME495792
-
C19143
5.2425003
-
Dibutyl succinate -5.2720003
-
ME495793
-
C19143
5.2720003
-
Dibutyl succinate +5.283
-
ME492723
-
C19143
5.283
-
Dibutyl succinate -8.121
-
ME491686
-
C19143
8.121
-
Dibutyl succinate +8.201
-
ME495791
-
C19143
8.201
-
Dibutyl succinate -8.23275
-
ME493334
-
C19143
8.23275
-
Dicamba
-
ME491470
-
C18597
0.8373334
-
Dicamba +0.8355
-
ME495794
-
C18597
0.8355
-
Dichlormid
-
ME499821
-
C18782
1.024
-
Dichloromethane
Dichloromethane
ME492724
-
C02271
0.8356
-
Dicyclohexyl phthalate
Dicyclohexyl phthalate
ME490497
-
C14529
12.701562
-
Dicyclohexyl phthalate +3.646
Dicyclohexyl phthalate
ME499822
-
C14529
3.646
-
Dicyclohexyl phthalate -4.953
Dicyclohexyl phthalate
ME499823
-
C14529
4.953
-
Didanosine
Didanosine
ME495795
-
C06953
2.0205002
-
Didanosine +1.013
Didanosine
ME499824
-
C06953
1.013
-
Didanosine -1.3829999
Didanosine
ME493335
-
C06953
1.3829999
-
Didecyldimethylammonium
-
ME499825
-
C15436
0.877
-
Di-demethylcitalopram
-
ME495796
-
C16609
7.102
-
Di-demethylcitalopram +3.652
-
ME499826
-
C16609
3.652
-
Didesmethylloperamide
-
ME490498
-
-
7.83775
-
Didesmethylpheniramine
-
ME499827
-
-
2.122
-
Didesmethylpheniramine +2.198
-
ME499828
-
-
2.198
-
Didesmethyltrimeprazine
-
ME499829
-
-
3.638
-
Didrovaltratum
Didrovaltratum
ME499830
-
C09776
5.654
-
Dienestrol
-
ME499831
-
C08090
1.395
-
Dienestrol +3.828
-
ME499832
-
C08090
3.828
-
Diethatyl-ethyl
-
ME495797
-
C19051
7.3975
-
Diethofencarb
Diethofencarb
ME499833
-
C11077
4.237
-
Diethofencarb +1.165
Diethofencarb
ME499834
-
C11077
1.165
-
Diethofencarb -6.3022504
Diethofencarb
ME493336
-
C11077
6.3022504
-
Diethofencarb -6.3619995
Diethofencarb
ME493337
-
C11077
6.3619995
-
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
ME492725
-
C04587
1.2823999
-
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +1.021
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
ME499835
-
C04587
1.021
-
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +2.999
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
ME499836
-
C04587
2.999
-
Diethylcarbamazine
-
ME494197
-
C07968
1.0493333
-
Diethylcarbamazine +4.906
-
ME499841
-
C07968
4.906
-
Diethylene glycol
Diethylene glycol
ME491041
-
C14689
1.6365832
-
Diethylene glycol +10.250601
Diethylene glycol
ME492726
-
C14689
10.250601
-
Diethylene glycol +1.626
Diethylene glycol
ME499842
-
C14689
1.626
-
Diethylene glycol +1.6293334
Diethylene glycol
ME494198
-
C14689
1.6293334
-
Diethylene glycol +1.648
Diethylene glycol
ME499843
-
C14689
1.648
-
Diethylene glycol +1.6625556
Diethylene glycol
ME491471
-
C14689
1.6625556
-
Diethylene glycol +3.018
Diethylene glycol
ME493338
-
C14689
3.018
-
Diethylene glycol +6.4227505
Diethylene glycol
ME491687
-
C14689
6.4227505
-
Diethyl Oxalpropionate
4-Heptenal diethyl acetal
ME494196
-
C04067
1.6153334
-
Diethyl Oxalpropionate +3.306
4-Heptenal diethyl acetal
ME499837
-
C04067
3.306
-
Diethyl Oxalpropionate -3.4299998
4-Heptenal diethyl acetal
ME495798
-
C04067
3.4299998
-
Diethyl Oxalpropionate +3.466
4-Heptenal diethyl acetal
ME499838
-
C04067
3.466
-
Diethyl Oxalpropionate -3.622
4-Heptenal diethyl acetal
ME499839
-
C04067
3.622
-
Diethyl Oxalpropionate -3.8175
4-Heptenal diethyl acetal
ME495799
-
C04067
3.8175
-
Diethyl Oxalpropionate -4.076
4-Heptenal diethyl acetal
ME499840
-
C04067
4.076
-
Diethyl sulfate
-
ME495800
-
C14706
1.2739999
-
diflorasone diacetate
-
ME499844
-
-
1.378
-
Diflubenzuron
Diflubenzuron
ME495801
-
C14427
3.263
-
Diflubenzuron -4.108
Diflubenzuron
ME499845
-
C14427
4.108
-
Diflunisal
Diflunisal
ME495802
-
C01691
6.461
-
digitogenin
-
ME494199
-
C08896
10.014667
-
digitogenin -9.965
-
ME499846
-
C08896
9.965
-
digitonin
-
ME499847
-
C00765
9.26
-
Digitoxic acid
-
ME499848
-
-
1.385
-
Digitoxigenin
Digitoxigenin
ME499849
-
-
6.889
-
Digoxigenin bisdigitoxoside
-
ME499850
-
-
8.152
-
Digoxigenin bisdigitoxoside -8.157
-
ME499851
-
-
8.157
-
Dihomomethionine
Dihomomethionine
ME499852
-
C17217
1.384
-
Dihomomethionine +1.401
Dihomomethionine
ME493339
-
C17217
1.401
-
Dihomomethionine +2.32
Dihomomethionine
ME499853
-
C17217
2.32
-
Dihydro-7-Desacetyldeoxygedunin
-
ME499854
-
-
6.893
-
Dihydroaceanthrylene
-
ME495803
-
C19401
4.8845
-
Dihydroaceanthrylene +1.363
-
ME499855
-
C19401
1.363
-
Dihydroartemisinin
Dihydroartemisinin
ME495804
-
-
5.533
-
Dihydroartemisinin +5.1182
Dihydroartemisinin
ME492727
-
-
5.1182
-
Dihydrocelastrol
-
ME495805
-
-
7.7625
-
Dihydrocelastrol -9.057
-
ME499856
-
-
9.057
-
Dihydrocelastryl Diacetate
-
ME493340
-
-
9.65675
-
Dihydroceramide C2
-
ME495806
-
-
6.8555
-
dihydro-?-ergocryptine
-
ME491042
-
-
5.445833
-
Dihydrogambogic Acid
-
ME499857
-
-
3.493
-
Dihydrogedunin
-
ME490499
-
-
10.13525
-
Dihydrojasmonic Acid, Methyl Ester
-
ME499858
-
-
7.769
-
Dihydrojasmonic Acid, Methyl Ester +6.237
-
ME499859
-
-
6.237
-
Dihydrolevobunolol
Dihydrolevobunolol
ME490709
-
-
8.760601
-
Dihydrolevobunolol +8.8165
Dihydrolevobunolol
ME495807
-
-
8.8165
-
Dihydrolevobunolol +9.358
Dihydrolevobunolol
ME499860
-
-
9.358
-
Dihydrolipoamide
Dihydrolipoamide
ME490500
-
C00579
7.1535
-
Dihydrolysergic acid amide
-
ME490501
-
-
8.741187
-
Dihydrolysergic acid amide -8.835
-
ME494200
-
-
8.835
-
Dihydromacarpine
-
ME494201
-
C05316
7.352333
-
Dihydromikanolide
-
ME499861
-
C09397
4.23
-
dihydrophaseic acid 4-O-beta-D-glucoside
-
ME495808
-
-
3.4299998
-
Dihydrotetrabenazine
-
ME499862
-
-
7.795
-
Dihydroxycarteolol M1
-
ME493341
-
-
3.0960002
-
Dihydroxycarteolol M1 -5.4038
-
ME492728
-
-
5.4038
-
Dihydroxycarteolol M1 -5.468
-
ME495809
-
-
5.468
-
Dihydroxycarteolol M1 -5.783556
-
ME491472
-
-
5.783556
-
Dihydroxycarteolol M1 -5.8457994
-
ME492729
-
-
5.8457994
-
Dihydroxycarteolol M2
-
ME495810
-
-
3.593
-
Dihydroxycarteolol M2 +3.293
-
ME499863
-
-
3.293
-
Dihydroxycarteolol M2 +3.8596668
-
ME494202
-
-
3.8596668
-
Dihydroxycarteolol M2 +4.1610003
-
ME492730
-
-
4.1610003
-
Dihydroxycarteolol M2 +4.2454004
-
ME492731
-
-
4.2454004
-
Dihydroxycarteolol M2 +4.6664
-
ME492732
-
-
4.6664
-
Dihydroxycarteolol M2 +4.86125
-
ME493342
-
-
4.86125
-
Dihydroxycarteolol M2 +5.418454
-
ME491158
-
-
5.418454
-
Dihydroxycarteolol M2 +5.4789996
-
ME492271
-
-
5.4789996
-
Dihydroxycarteolol M2 +5.7805557
-
ME491473
-
-
5.7805557
-
Dihydroxycarteolol M2 +5.799
-
ME494203
-
-
5.799
-
Dihydroxycarteolol M2 +5.8594284
-
ME491943
-
-
5.8594284
-
Dihydroxymelphalan
-
ME499864
-
-
4.647
-
Dihydroxymelphalan +1.393
-
ME495811
-
-
1.393
-
Dihydroxymelphalan +1.6185
-
ME495812
-
-
1.6185
-
Dihydroxymelphalan +3.331
-
ME499865
-
-
3.331
-
Dihydroxymelphalan +3.58
-
ME492733
-
-
3.58
-
Dihydroxymelphalan +4.1525
-
ME495813
-
-
4.1525
-
Dihydroxymelphalan +4.6635
-
ME495814
-
-
4.6635
-
Dihydrozeatin riboside
-
ME491159
-
C16447
3.408909
-
Dihydrozeatin riboside +1.221
-
ME499866
-
C16447
1.221
-
Dihydrozeatin riboside +1.4022
-
ME492734
-
C16447
1.4022
-
Diisobutyl phthalate
Diisobutyl phthalate
ME490502
-
C15205
11.93925
-
Diisobutyl phthalate +1.013
Diisobutyl phthalate
ME499867
-
C15205
1.013
-
Diisobutyl phthalate +10.996666
Diisobutyl phthalate
ME494204
-
C15205
10.996666
-
Diisobutyl phthalate +11.980688
Diisobutyl phthalate
ME490503
-
C15205
11.980688
-
Diisobutyl phthalate +12.048
Diisobutyl phthalate
ME499868
-
C15205
12.048
-
Diisobutyl phthalate -8.981
Diisobutyl phthalate
ME494205
-
C15205
8.981
-
Diisopropyl phosphate
-
ME490504
-
C03113
6.7384996
-
Diisopropyl phosphate +1.3920001
-
ME494206
-
C03113
1.3920001
-
Diisopropyl phthalate
-
ME491474
-
C14468
1.1925557
-
Diisopropyl sulfate
-
ME499869
-
C19230
1.396
-
Diisopropyl sulfate -3.178
-
ME499870
-
C19230
3.178
-
Dikegulac
-
ME495815
-
C18825
1.1159999
-
Dikegulac +2.981
-
ME499871
-
C18825
2.981
-
Dikegulac +3.476
-
ME499872
-
C18825
3.476
-
Dikegulac +3.815
-
ME499873
-
C18825
3.815
-
Dillenetin 3,7-diglucoside
-
ME494207
-
-
13.6536665
-
Dillenetin 5-glucoside-7-glucuronide
-
ME495816
-
-
6.8605003
-
Dimepiperate
-
ME494208
-
C14571
1.3946667
-
Dimepiperate +1.6185
-
ME495817
-
C14571
1.6185
-
Dimepiperate +1.623
-
ME499874
-
C14571
1.623
-
Dimepiperate +3.186
-
ME499875
-
C14571
3.186
-
Dimethachlor
-
ME495818
-
C18718
5.865
-
Dimethachlor +5.565
-
ME499876
-
C18718
5.565
-
Dimethametryn
-
ME499877
-
C18537
3.827
-
Dimethoate
Dimethoate
ME493343
-
C14326
0.831
-
Dimethoxane
-
ME491688
-
C19402
5.4625
-
Dimethoxane +1.395
-
ME499878
-
C19402
1.395
-
Dimethoxane -5.4481
-
ME491316
-
C19402
5.4481
-
Dimethoxane -5.862
-
ME499879
-
C19402
5.862
-
Dimethylaminoethyl reserpilinate
-
ME492273
-
C13441
6.5235004
-
Dimethylaminoethyl reserpilinate -3.413
-
ME499883
-
C13441
3.413
-
Dimethylaminoethyl reserpilinate +5.481
-
ME499881
-
C13441
5.481
-
Dimethylaminoethyl reserpilinate -6.57725
-
ME493345
-
C13441
6.57725
-
Dimethylaminoethyl reserpilinate +6.585833
-
ME492274
-
C13441
6.585833
-
Dimethylaminoethyl reserpilinate +9.182
-
ME499882
-
C13441
9.182
-
Dimethylenetriurea
Dimethylenetriurea
ME499884
-
C06385
3.561
-
Dimethyl selenide
-
ME492272
-
C02535
0.82100004
-
Dimethyl suberate
-
ME493344
-
C17803
6.91125
-
Dimethyl suberate -6.9046154
-
ME490935
-
C17803
6.9046154
-
Dimethyl sulfone
Dimethyl sulfone
ME499880
-
C11142
1.05
-
dIMP
dIMP
ME499885
-
C06196
0.959
-
Dinex
-
ME494209
-
C19038
3.1856668
-
Di-n-hexyl phthalate
Dihexyl phthalate
ME499886
-
C14504
7.546
-
Di-n-hexyl phthalate -9.634
Dihexyl phthalate
ME499887
-
C14504
9.634
-
Dinobuton
-
ME499888
-
C18721
3.082
-
Dinoflagellate luciferin
-
ME492735
-
C19704
6.9138002
-
Dinoflagellate luciferin +6.824
-
ME499889
-
C19704
6.824
-
Dinoflagellate luciferin -6.9
-
ME499892
-
C19704
6.9
-
Dinoflagellate luciferin +6.978
-
ME499890
-
C19704
6.978
-
Dinoflagellate luciferin +8.72225
-
ME493346
-
C19704
8.72225
-
Dinoflagellate luciferin -8.76325
-
ME493347
-
C19704
8.76325
-
Dinoflagellate luciferin +8.779167
-
ME492275
-
C19704
8.779167
-
Dinoflagellate luciferin +8.842
-
ME494210
-
C19704
8.842
-
Dinoflagellate luciferin +8.8846245
-
ME491689
-
C19704
8.8846245
-
Dinoflagellate luciferin +9.224
-
ME499891
-
C19704
9.224
-
Dinoterb
-
ME495819
-
C18671
3.08
-
Dinoterb -11.046
-
ME490710
-
C18671
11.046
-
Di-n-propylphthalate
Dipropyl phthalate
ME490830
-
C14469
10.993215
-
Di-n-propylphthalate +1.005
Dipropyl phthalate
ME499893
-
C14469
1.005
-
Dioscin
-
ME499894
-
-
9.234
-
Dioscorine
-
ME495820
-
C10142
4.3645
-
Dioxacarb
-
ME491475
-
C18953
1.6312222
-
Dioxacarb +3.3277502
-
ME493348
-
C18953
3.3277502
-
Dioxacarb +3.646
-
ME495821
-
C18953
3.646
-
Dioxacarb +4.915
-
ME499895
-
C18953
4.915
-
Dioxacarb +4.9673333
-
ME494211
-
C18953
4.9673333
-
Diphenoxylic acid(DPA)
-
ME499896
-
C07871
3.838
-
Diphenylcarbazide
-
ME490936
-
C11232
5.389923
-
Diphenylcarbazide +9.112
-
ME494212
-
C11232
9.112
-
Diphenylcarbazide +9.222143
-
ME491944
-
C11232
9.222143
-
Diphenylmethylphosphine
-
ME495822
-
-
0.94149995
-
Diphenylmethylphosphine oxide
-
ME495823
-
-
0.86899996
-
Diphenylphosphine Acid
-
ME499897
-
-
3.528
-
Diphenylphosphine isopropyl ester
-
ME499898
-
-
3.117
-
Dipyrocetyl
-
ME499899
-
-
3.21
-
Discadenine
-
ME499900
-
C01804
5.564
-
Discadenine +4.283
-
ME499901
-
C01804
4.283
-
Discadenine +5.326
-
ME494213
-
C01804
5.326
-
Disinomenine
-
ME499902
-
C16954
6.331
-
Disinomenine +6.344
-
ME499903
-
C16954
6.344
-
Disperse Blue 1
-
ME495824
-
C19236
1.5595
-
Disperse Blue 1 +3.152
-
ME499904
-
C19236
3.152
-
Disperse Blue 1 +4.783
-
ME499905
-
C19236
4.783
-
Distemonanthin
Distemonanthin
ME499906
-
-
6.194
-
Disul
-
ME499907
-
C19071
1.777
-
Disulfoton
Disulfoton
ME491317
-
C18400
0.9634
-
Diterpenoid EF-D
-
ME494214
-
C09086
8.396667
-
Diterpenoid EF-D +7.712
-
ME499908
-
C09086
7.712
-
Diterpenoid EF-D -8.45
-
ME499910
-
C09086
8.45
-
Diterpenoid EF-D +8.957
-
ME499909
-
C09086
8.957
-
Diterpenoid EF-D -9.007
-
ME499911
-
C09086
9.007
-
Dithianon
Dithianon
ME499912
-
C18574
0.842
-
Diuron
Diuron
ME499913
-
C18428
0.963
-
Diuron -0.961
Diuron
ME499914
-
C18428
0.961
-
Divinylchlorophyll a
-
ME490711
-
C11850
12.432
-
Divinylchlorophyll a +12.409667
-
ME492276
-
C11850
12.409667
-
Divinylchlorophyll a +12.503
-
ME499915
-
C11850
12.503
-
DL-3-amino-isobutanoic acid
3-Aminoisobutanoic acid
ME492736
-
C05145
0.96900004
-
DL-8-hydroxy stearic acid
-
ME491690
-
-
13.411626
-
DL-8-hydroxy stearic acid +13.439
-
ME499916
-
-
13.439
-
DL-Methionine sulfoxide
Methionine sulfoxide
ME493349
-
-
0.9745
-
DL-Methionine sulfoxide +1.398
Methionine sulfoxide
ME499917
-
-
1.398
-
D-Lombricine
D-Lombricine
ME499918
-
C01726
1.612
-
DL-Serine
Serine
ME491043
-
C00716
0.9145834
-
Dl-tetrahydropalmatine
-
ME494215
-
-
5.0463333
-
D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipi...
-
ME494216
-
C04724
6.378
-
DMPO
-
ME490712
-
-
1.2604668
-
DMPO +1.3947142
-
ME491945
-
-
1.3947142
-
DMPO +3.407
-
ME499919
-
-
3.407
-
DMPO +4.48575
-
ME490505
-
-
4.48575
-
DMPO +4.5585003
-
ME495825
-
-
4.5585003
-
DMXB-A
-
ME492737
-
C19905
4.3389997
-
DMXB-A +4.209
-
ME499920
-
C19905
4.209
-
D-(+)-Neopterin
Neopterin
ME499720
-
C05926
5.264
-
D-(+)-Neopterin -1.386
Neopterin
ME499721
-
C05926
1.386
-
D-(+)-Neopterin -7.167
Neopterin
ME499722
-
C05926
7.167
-
Docosahexaenoyl Glycine
-
ME499921
-
-
5.437
-
Docosahexaenoyl Glycine +5.3900003
-
ME495826
-
-
5.3900003
-
Docosahexaenoyl Serotonin
-
ME492738
-
-
6.2559996
-
Docosahexaenoyl Serotonin +6.1330004
-
ME495827
-
-
6.1330004
-
Docosahexaenoyl Serotonin +6.236
-
ME492277
-
-
6.236
-
Docosahexaenoyl Serotonin +9.9995
-
ME495828
-
-
9.9995
-
Docosanedioic acid
Docosanedioic acid
ME493350
-
C19625
14.0805
-
Dodeca-2(e),4(e)-dienoic acid isobutylamide
-
ME499922
-
-
7.471
-
Dodeca-2(e),4(e)-dienoic acid isobutylamide +8.194
-
ME499923
-
-
8.194
-
dodecanamide
Dodecanamide
ME490506
-
-
11.208813
-
dodecanamide +11.14775
Dodecanamide
ME493351
-
-
11.14775
-
Doisynoestrol
-
ME490831
-
C15453
9.812428
-
Doisynoestrol -10.012501
-
ME490507
-
C15453
10.012501
-
Doisynoestrol +6.132
-
ME499924
-
C15453
6.132
-
Doisynoestrol +6.63
-
ME499925
-
C15453
6.63
-
Doisynoestrol +6.968
-
ME499926
-
C15453
6.968
-
Doisynoestrol -9.861929
-
ME490832
-
C15453
9.861929
-
Doisynoestrol -9.878401
-
ME492739
-
C15453
9.878401
-
Dolasetron
Dolasetron
ME499927
-
C07866
1.62
-
Dolastatin 16
-
ME495829
-
-
7.459
-
dolichodial
-
ME499928
-
C09777
5.244
-
Dolichotheline
-
ME495830
-
C16696
4.1
-
Dolichyl b-D-glucosyl phosphate
-
ME491476
-
C01246
9.878222
-
Dolichyl b-D-glucosyl phosphate -10.616
-
ME499929
-
C01246
10.616
-
Dolichyl diphosphate
-
ME499930
-
C00621
4.32
-
dolichyl D-xylosyl phosphates
-
ME491691
-
C01191
12.336375
-
dolichyl D-xylosyl phosphates +12.33
-
ME499931
-
C01191
12.33
-
dolichyl D-xylosyl phosphates +12.339667
-
ME492278
-
C01191
12.339667
-
Domoic acid
Domoic acid
ME499932
-
C13732
3.104
-
Dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME499933
-
C13690
3.042
-
Dopamine 3-O-sulfate -3.3715
Dopamine 3-O-sulfate
ME495831
-
C13690
3.3715
-
Dopamine quinone
Dopamine quinone
ME499934
-
C17755
1.041
-
Dopamine quinone +1.625
Dopamine quinone
ME499935
-
C17755
1.625
-
Dorzolamide
Dorzolamide
ME499936
-
C06969
4.16
-
Dorzolamide -4.452
Dorzolamide
ME499937
-
C06969
4.452
-
Dothistromin
Dothistromin
ME495832
-
C10334
4.0385
-
Dothistromin -4.458
Dothistromin
ME499938
-
C10334
4.458
-
Doxapram
Doxapram
ME499939
-
-
13.729
-
Doxapram -10.004
Doxapram
ME499940
-
-
10.004
-
Doxepin
Doxepin
ME493352
-
C06971
4.95375
-
Doxepin +5.049
Doxepin
ME499941
-
C06971
5.049
-
D-Pantethine
-
ME499942
-
C12661
5.134
-
D-Phenyllactic acid
L-3-Phenyllactic acid
ME495833
-
-
5.6204996
-
D-Phenyllactic acid +1.635
L-3-Phenyllactic acid
ME499943
-
-
1.635
-
D-Phenyllactic acid -5.2626
L-3-Phenyllactic acid
ME492740
-
-
5.2626
-
D-Phenyllactic acid +5.6229997
L-3-Phenyllactic acid
ME492279
-
-
5.6229997
-
D-Phe-Pro-Arg-CH2Cl
-
ME492280
-
C02828
6.4085
-
D-Phe-Pro-Arg-CH2Cl +6.48
-
ME491692
-
C02828
6.48
-
D-Phe-Pro-Arg-CH2Cl +9.0835
-
ME495834
-
C02828
9.0835
-
D-Phe-Pro-Arg-CH2Cl +9.233666
-
ME494217
-
C02828
9.233666
-
DPPP
-
ME499944
-
-
1.15
-
DPPP -3.193
-
ME499945
-
-
3.193
-
Dracorubin
Dracorubin
ME492741
-
C09726
4.6912
-
dTDP-D-glucuronate
Triphenyl phosphate
ME491946
-
C06017
6.639
-
dTDP-D-glucuronate +6.7235556
Triphenyl phosphate
ME491477
-
C06017
6.7235556
-
D-Thevetose
-
ME494218
-
C16287
3.887
-
D-Thevetose +1.554
-
ME499946
-
C16287
1.554
-
D-Threitol
Threitol
ME493353
-
C16884
5.60575
-
D-threo-3-Methylmalate
-
ME490508
-
C06031
12.602876
-
dTMP
dTMP
ME499947
-
C00364
1.397
-
Dubinidine
-
ME492742
-
C10662
1.0226
-
Dulcin
-
ME494219
-
C19415
1.6279999
-
D-Urobilin
D-Urobilin
ME499948
-
C05795
7.163
-
D-Urobilinogen
D-Urobilinogen
ME491160
-
C05791
6.955818
-
dXTP
-
ME499949
-
C01348
6.232
-
D-Xylulose
L-Ribulose
ME490713
-
C00310
1.0047333
-
D-Xylulose +1.0436001
L-Ribulose
ME492743
-
C00310
1.0436001
-
D-Xylulose +1.05775
L-Ribulose
ME493354
-
C00310
1.05775
-
Dyphylline
Dyphylline
ME491947
-
C07819
1.0774285
-
Dyphylline +1.091
Dyphylline
ME495835
-
C07819
1.091
-
Dyphylline +1.18
Dyphylline
ME492281
-
C07819
1.18
-
Dyphylline +1.191
Dyphylline
ME499950
-
C07819
1.191
-
Dyphylline +1.308
Dyphylline
ME495836
-
C07819
1.308
-
(E)-2-Butenyl-4-methyl-threonine
2-Butenyl-4-methylthreonine
ME492952
-
C12029
3.1437502
-
(E)-2-Butenyl-4-methyl-threonine +1.139
2-Butenyl-4-methylthreonine
ME496656
-
C12029
1.139
-
(E)-2-Butenyl-4-methyl-threonine +12.3155
2-Butenyl-4-methylthreonine
ME494663
-
C12029
12.3155
-
(E)-2-Butenyl-4-methyl-threonine +1.3983332
2-Butenyl-4-methylthreonine
ME493640
-
C12029
1.3983332
-
(E)-2-Butenyl-4-methyl-threonine +1.624
2-Butenyl-4-methylthreonine
ME493641
-
C12029
1.624
-
(E)-2-Butenyl-4-methyl-threonine +4.851
2-Butenyl-4-methylthreonine
ME494664
-
C12029
4.851
-
(E)-2-Butenyl-4-methyl-threonine -5.175
2-Butenyl-4-methylthreonine
ME496657
-
C12029
5.175
-
(E)-2-Butenyl-4-methyl-threonine +5.195313
2-Butenyl-4-methylthreonine
ME490281
-
C12029
5.195313
-
(E)-2-(Methoxycarbonylmethyl)butenedioate
-
ME492436
-
C11515
5.6043997
-
(E)-2-(Methoxycarbonylmethyl)butenedioate -1.38766...
-
ME493639
-
C11515
1.3876667
-
(E)-3-methylglutaconic acid
-
ME496658
-
-
1.329
-
(E)-3-methylglutaconic acid +0.971125
-
ME491548
-
-
0.971125
-
(E)-3-methylglutaconic acid +1.3973335
-
ME493642
-
-
1.3973335
-
(E)-3-methylglutaconic acid +1.6255
-
ME494665
-
-
1.6255
-
(E)-4-stilbenol
(E)-4-Stilbenol
ME496659
-
C14763
3.766
-
E-64
E64
ME491318
-
C01341
4.5558
-
E-64 +3.1585002
E64
ME495837
-
C01341
3.1585002
-
E-64c
-
ME494220
-
-
3.8416665
-
(+)-Echinoisoflavanone
-
ME496590
-
-
4.66
-
Echitovenine
-
ME491948
-
C11784
7.5175714
-
Echitovenine -7.5
-
ME499951
-
C11784
7.5
-
Echitovenine +7.57075
-
ME491693
-
C11784
7.57075
-
Echlomezole
-
ME492282
-
C18460
5.604667
-
Ecklonialactone A
-
ME499952
-
-
6.994
-
Ecklonialactone A +4.672
-
ME499953
-
-
4.672
-
Ectocarpen
Ectocarpen
ME499954
-
C16993
1.622
-
edetate
Edetic acid
ME493355
-
C00284
0.96349996
-
edetate -0.961
Edetic acid
ME499955
-
C00284
0.961
-
Edoxudine
-
ME491161
-
-
3.2125456
-
Eicosapentaenoic Acid ethyl ester
-
ME499956
-
C16184
9.992
-
Elaeokanine C
Elaeokanine C
ME495838
-
C10592
5.8025
-
Elaeokanine C +5.514
Elaeokanine C
ME499957
-
C10592
5.514
-
Elaeokanine C +7.209
Elaeokanine C
ME499958
-
C10592
7.209
-
Elastin
-
ME493356
-
C00373
6.454
-
Elatin(flavonoid)
-
ME499959
-
-
8.34
-
Ellagic acid
Ellagic acid
ME494221
-
C10788
4.025
-
emedastine
Emedastine
ME494222
-
C07785
7.986666
-
Enalaprilat
-
ME493357
-
C11720
4.9652495
-
Enantiomultijugin
-
ME499960
-
-
7.682
-
Endomorphin-1
-
ME499961
-
-
6.927
-
Endothal
-
ME493358
-
C18724
1.1005
-
Endothal -1.188
-
ME495839
-
C18724
1.188
-
Endothal -1.386
-
ME499962
-
C18724
1.386
-
Endothal -1.388
-
ME499963
-
C18724
1.388
-
Endothal -1.6163334
-
ME494223
-
C18724
1.6163334
-
Endothal -1.617
-
ME499964
-
C18724
1.617
-
Endothal -4.026
-
ME499965
-
C18724
4.026
-
Endothal -5.164
-
ME494224
-
C18724
5.164
-
Enicoflavine
Enicoflavine
ME491694
-
C09946
1.39725
-
Enicoflavine +1.4085001
Enicoflavine
ME491695
-
C09946
1.4085001
-
Enicoflavine +1.622
Enicoflavine
ME499966
-
C09946
1.622
-
Enicoflavine +1.666
Enicoflavine
ME499967
-
C09946
1.666
-
Enicoflavine +1.7590001
Enicoflavine
ME493359
-
C09946
1.7590001
-
Enicoflavine +3.3235
Enicoflavine
ME495840
-
C09946
3.3235
-
Enicoflavine -9.710251
Enicoflavine
ME493360
-
C09946
9.710251
-
ent-15-epi-15-F2c-IsoP
-
ME495841
-
-
7.6499996
-
ent-8-epi-15-D2c-IsoP
-
ME499968
-
-
6.914
-
ent-8-iso Prostaglandin F2?
-
ME495842
-
-
7.6525
-
ent-8-iso Prostaglandin F2? +7.692
-
ME495843
-
-
7.692
-
Entacapone
Entacapone
ME499969
-
C07943
1.628
-
Entacapone -4.6489997
Entacapone
ME494225
-
C07943
4.6489997
-
ent-Corey PG-Lactone Diol
-
ME499970
-
-
1.722
-
ent-Corey PG-Lactone Diol +4.969375
-
ME491696
-
-
4.969375
-
ent-Corey PG-Lactone Diol +5.355833
-
ME492283
-
-
5.355833
-
ent-Corey PG-Lactone Diol +5.711
-
ME499971
-
-
5.711
-
ent-Corey PG-Lactone Diol +6.59
-
ME495844
-
-
6.59
-
ent-Epifisetinidol-4beta-ol
-
ME499972
-
-
4.334
-
ent-Epifisetinidol-4beta-ol -5.232
-
ME499973
-
-
5.232
-
Eosin
-
ME495845
-
C19416
0.92200005
-
EPA
EPA
ME499974
-
C11487
5.811
-
EPA (d5)
EPA
ME491949
-
C06428
12.4775715
-
Ephedroxane
-
ME499975
-
C17902
3.201
-
Epibatidine
Epibatidine
ME494226
-
C11690
1.3990002
-
Epibatidine +1.186
Epibatidine
ME499976
-
C11690
1.186
-
Epibatidine +3.444
Epibatidine
ME499977
-
C11690
3.444
-
Epibatidine +5.808
Epibatidine
ME499978
-
C11690
5.808
-
Epicatechin 5,7,3'-trimethyl ether
-
ME495846
-
-
4.981
-
Epigallocatechin
Epigallocatechin
ME493361
-
-
4.4755
-
Epigallocatechin 3-O-p-coumarate
-
ME499979
-
-
6.192
-
Epigallocatechin -4.5306
Epigallocatechin
ME492744
-
-
4.5306
-
Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate...
-
ME499980
-
C10223
6.64
-
epinephryl borate opthalmic solution
-
ME495847
-
-
1.6300001
-
Epinine
-
ME499981
-
C07453
3.321
-
Epithienamycin B
-
ME499982
-
C17396
4.161
-
Epithienamycin D
-
ME499983
-
C17398
4.152
-
epi-Tulipinolide diepoxide
-
ME499984
-
C09568
3.049
-
epi-Tulipinolide diepoxide +0.937
-
ME492745
-
C09568
0.937
-
epi-Tulipinolide diepoxide +4.98
-
ME499985
-
C09568
4.98
-
epi-Tulipinolide diepoxide +6.958
-
ME499986
-
C09568
6.958
-
Epothilone A
Epothilone A
ME499987
-
C12153
6.587
-
Epoxycandidone
-
ME499988
-
-
7.077
-
epsilon-Rhodomycin T
-
ME494227
-
C18640
3.4813335
-
Equilin sulfate
-
ME499989
-
C13416
1.042
-
Equilin sulfate -1.064
-
ME499992
-
C13416
1.064
-
Equilin sulfate +1.336
-
ME499990
-
C13416
1.336
-
Equilin sulfate +1.629
-
ME499991
-
C13416
1.629
-
Ergine
-
ME499993
-
C09160
7.616
-
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-
-
ME495848
-
-
9.082
-
Ergoline-1-carboxaldehyde, 8-(hydroxymethyl)-10-me...
-
ME499994
-
-
3.656
-
Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-
-
ME495849
-
-
1.4519999
-
Ergoline-8-methanol, 10-methoxy-, (8b)-
-
ME491162
-
-
6.4517274
-
Ergoline-8-methanol, 10-methoxy-, (8b)- -6.6074996
-
ME491697
-
-
6.6074996
-
Erioflorin methacrylate
-
ME495850
-
C09413
0.9425
-
Erioflorin methacrylate +1.39
-
ME499995
-
C09413
1.39
-
Erioflorin methacrylate +1.618
-
ME499996
-
C09413
1.618
-
Erioflorin methacrylate -4.78675
-
ME493362
-
C09413
4.78675
-
Erioflorin methacrylate -6.391
-
ME499997
-
C09413
6.391
-
Erioflorin methacrylate -7.404
-
ME499998
-
C09413
7.404
-
Eriosemaone C
-
ME499999
-
-
7.183
-
Eriosemaone C -7.76575
-
ME493363
-
-
7.76575
-
Erosnin
-
ME500000
-
-
0.961
-
Erosone
-
ME491950
-
-
1.3882856
-
Erosone -1.384
-
ME500001
-
-
1.384
-
Erosone -1.607
-
ME500002
-
-
1.607
-
Erosone -1.612
-
ME500003
-
-
1.612
-
Eruberin A
-
ME493364
-
-
3.4407501
-
Eruberin C
-
ME500004
-
-
4.004
-
Erybraedin E
-
ME500005
-
-
0.945
-
(-)-erythro-(2R,3R)-Dihydroxybutylamide
-
ME490864
-
C11108
0.94661534
-
(-)-erythro-(2R,3R)-Dihydroxybutylamide +1.182
-
ME496574
-
C11108
1.182
-
Erythrohydrobupropion
Erythrohydrobupropion
ME495851
-
-
6.497
-
Erythrohydrobupropion +6.5915003
Erythrohydrobupropion
ME495852
-
-
6.5915003
-
?-Erythroidine
-
ME492442
-
C06532
7.4772005
-
Erythromycin estolate
Erythromycin estolate
ME494228
-
C08031
0.90300006
-
Erythroxanthin sulfate
-
ME500006
-
-
13.833
-
Escitalopram
Escitalopram
ME495853
-
-
7.3675003
-
Eseridine
-
ME500007
-
C09176
3.887
-
Esmeraldic acid
-
ME495854
-
C12116
8.995501
-
Esmolol
-
ME500008
-
C06980
3.081
-
Esmolol +3.1445
-
ME495855
-
C06980
3.1445
-
Esprocarb
-
ME500009
-
C14526
1.398
-
Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate
-
ME500010
-
C15424
6.841
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME492746
-
C15382
10.2504
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME500011
-
C15382
10.333
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME493365
-
C15382
10.46175
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME492747
-
C15382
10.632
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME500012
-
C15382
10.682
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME500013
-
C15382
10.966
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME500014
-
C15382
9.992
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490509
-
C15440
9.501375
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490510
-
C15440
10.001
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490511
-
C15440
10.134688
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME491319
-
C15440
10.2193
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490512
-
C15440
10.285313
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490833
-
C15440
10.339429
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490513
-
C15440
10.499437
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490514
-
C15440
10.558749
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME491320
-
C15440
10.622
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME491044
-
C15440
10.689999
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME495856
-
C15440
10.879499
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490937
-
C15440
10.959462
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME490515
-
C15440
9.711437
-
estra-5,7,9-triene-3?,17?-diol
-
ME490938
-
-
11.969539
-
Estradiol-17-phenylpropionate
-
ME500016
-
C14645
1.622
-
Estradiol-17-phenylpropionate +10.0165
-
ME495857
-
C14645
10.0165
-
Estradiol-17-phenylpropionate +6.5553336
-
ME494229
-
C14645
6.5553336
-
Estradiol-17-phenylpropionate +9.99
-
ME500017
-
C14645
9.99
-
Estradiol acetate
-
ME500015
-
-
5.982
-
Estradiol disulfate
-
ME490834
-
-
3.4147856
-
Estramustine phosphate
-
ME500018
-
C13031
13.15
-
Estriol Methyl Ether
-
ME495858
-
C15216
7.425
-
Estriol Methyl Ether +3.882
-
ME500019
-
C15216
3.882
-
estrone 3-sulfate
Estrone 3-sulfate
ME500020
-
C02538
1.118
-
Etacelasil
-
ME500021
-
C19131
1.387
-
Ethacrynic acid M1
Ethacrynic acid
ME500022
-
-
6.428
-
Ethacrynic acid M1 -6.495
Ethacrynic acid
ME500023
-
-
6.495
-
Ethadione
-
ME492748
-
C17724
3.6528
-
Ethadione +1.1924
-
ME492749
-
C17724
1.1924
-
Ethadione +1.394
-
ME500024
-
C17724
1.394
-
Ethadione +2.143
-
ME500025
-
C17724
2.143
-
Ethadione -3.392
-
ME495859
-
C17724
3.392
-
Ethadione +3.3974285
-
ME491951
-
C17724
3.3974285
-
Ethadione +3.964
-
ME493366
-
C17724
3.964
-
Ethambutol
Ethambutol
ME500026
-
C06984
0.926
-
Ethambutol aldehyde
-
ME493367
-
-
4.382
-
Ethambutol aldehyde +1.3275
-
ME495860
-
-
1.3275
-
Ethambutol aldehyde +4.51
-
ME495861
-
-
4.51
-
Ethanolamine
Ethanolamine
ME495862
-
C00189
0.9395
-
Ethenodeoxyadenosine
Ethenodeoxyadenosine
ME495863
-
-
3.407
-
Ethephon
-
ME495864
-
C18399
0.8305
-
Ethidimuron
-
ME500027
-
C19092
0.964
-
Ethionamide
-
ME500028
-
C07665
5.601
-
Ethionine
L-Ethionine
ME493368
-
C11227
3.81875
-
Ethirimol
-
ME500029
-
C18828
4.229
-
Ethirimol +0.936
-
ME500030
-
C18828
0.936
-
Ethofumesate
-
ME493369
-
C18829
5.46275
-
Ethopropazine
Ethopropazine
ME494230
-
D03276
3.9626667
-
Ethopropazine +3.226
Ethopropazine
ME500031
-
D03276
3.226
-
Ethopropazine +3.655
Ethopropazine
ME500032
-
D03276
3.655
-
Ethosuximide
Ethosuximide
ME500033
-
C07505
3.579
-
Ethosuximide M3 glucuronide
-
ME495865
-
-
0.947
-
Ethoxyquin
Ethoxyquin
ME500034
-
-
3.037
-
Ethoxyquin +3.666
Ethoxyquin
ME500035
-
-
3.666
-
Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carbo...
-
ME500036
-
-
0.975
-
Ethyl 3-(N-butylacetamido)propionate
-
ME490939
-
C18830
6.5665383
-
Ethyl 3-(N-butylacetamido)propionate +3.328
-
ME500037
-
C18830
3.328
-
Ethyl 3-(N-butylacetamido)propionate +3.631
-
ME500038
-
C18830
3.631
-
Ethyl 3-(N-butylacetamido)propionate +6.558
-
ME494231
-
C18830
6.558
-
Ethyl-imidazole carboxylate
-
ME491321
-
-
1.1319999
-
Ethyl-imidazole carboxylate +1.708
-
ME500043
-
-
1.708
-
Ethyl isobutyl ketone
Ethyl isobutyl ketone
ME494232
-
-
1.132
-
Ethyl isobutyl ketone -6.946
Ethyl isobutyl ketone
ME500039
-
-
6.946
-
Ethylketocyclazocine
Ethylketocyclazocine
ME493370
-
C11795
3.41725
-
Ethyl-L-NIO
-
ME494234
-
-
1.3976666
-
Ethyl-L-NIO +1.399
-
ME500044
-
-
1.399
-
Ethyl methanesulfonate
-
ME500040
-
C19239
1.384
-
Ethyl-p-coumarate
-
ME492284
-
-
1.0198333
-
Ethyl-p-coumarate +5.081
-
ME500045
-
-
5.081
-
Ethyl phenothiazine-2-carbamate
-
ME500041
-
-
1.386
-
Ethyl syringate
-
ME494233
-
-
3.6143334
-
Ethyl syringate +5.005
-
ME500042
-
-
5.005
-
Euchretin A
-
ME500046
-
-
7.863
-
Euchretin B
-
ME500047
-
-
4.336
-
(+)-Eudesmin
-
ME490274
-
C10561
9.356376
-
(+)-Eudesmin -5.555625
-
ME491540
-
C10561
5.555625
-
(+)-Eudesmin -5.608
-
ME496591
-
C10561
5.608
-
(+)-Eudesmin -5.7330003
-
ME493615
-
C10561
5.7330003
-
(+)-Eudesmin -6.4056
-
ME492426
-
C10561
6.4056
-
(+)-Eudesmin -6.5915
-
ME492939
-
C10561
6.5915
-
(+)-Eudesmin -6.652333
-
ME492051
-
C10561
6.652333
-
(+)-Eudesmin -6.745
-
ME496592
-
C10561
6.745
-
Eugenyl Benzoate
-
ME492750
-
-
3.604
-
Euglobal-Ia1
Euglobal Ia1
ME494235
-
C09927
3.6763334
-
Euphorbia factor Ti2
-
ME492285
-
C09091
10.5876665
-
Euphornin
-
ME495866
-
C19991
6.4915
-
Euphornin -6.55
-
ME500048
-
C19991
6.55
-
Euphornin -7.081
-
ME500049
-
C19991
7.081
-
Euxanthone
Euxanthone
ME491698
-
C10061
0.95137495
-
Euxanthone +0.956
Euxanthone
ME495867
-
C10061
0.956
-
Euxanthone -6.659
Euxanthone
ME500050
-
C10061
6.659
-
Evadol
-
ME492751
-
C15360
7.4936
-
Evadol +0.93
-
ME500051
-
C15360
0.93
-
Evadol +3.74
-
ME500052
-
C15360
3.74
-
Evadol +7.802
-
ME500053
-
C15360
7.802
-
Evadol +8.150499
-
ME495868
-
C15360
8.150499
-
Evasterioside A
-
ME500054
-
-
5.5
-
Evasterioside C
-
ME500055
-
-
6.942
-
Evasterioside E
Evasterioside E
ME500056
-
-
6.386
-
Evoxanthidine
Evoxanthidine
ME495869
-
C10668
1.0035
-
F4-Neuroprostane (7-series)
-
ME494236
-
C13819
5.9216666
-
F4-Neuroprostane (7-series) +7.082
-
ME500057
-
C13819
7.082
-
Fabianine
Fabianine
ME500058
-
C09949
4.223
-
Fagomine
Fagomine
ME490835
-
C10144
1.0799285
-
Fagomine +0.98
Fagomine
ME493371
-
C10144
0.98
-
Fagomine +1.157125
Fagomine
ME491699
-
C10144
1.157125
-
Fagomine +1.188
Fagomine
ME495870
-
C10144
1.188
-
Fagomine +1.336625
Fagomine
ME491700
-
C10144
1.336625
-
Fagomine +1.611
Fagomine
ME500059
-
C10144
1.611
-
Falcarindiol
-
ME493372
-
C08449
4.0272503
-
Famciclovir
-
ME492286
-
C06993
1.2231667
-
Famciclovir +1.2853333
-
ME494237
-
C06993
1.2853333
-
Famciclovir +1.3957999
-
ME492752
-
C06993
1.3957999
-
Famciclovir +1.622
-
ME500060
-
C06993
1.622
-
Famciclovir +3.053
-
ME500061
-
C06993
3.053
-
Famciclovir +7.872
-
ME500062
-
C06993
7.872
-
Fampridine
4-Aminopyridine
ME492753
-
C13728
0.85319996
-
Fampridine +1.393625
4-Aminopyridine
ME491701
-
C13728
1.393625
-
Farfugin A
-
ME493373
-
-
3.8145003
-
Farfugin A +3.318
-
ME500063
-
-
3.318
-
Farnesyl Thiosalicylic Acid
-
ME500064
-
-
1.026
-
Farnesyl Thiosalicylic Acid +0.95
-
ME500065
-
-
0.95
-
Farnesyl Thiosalicylic Acid Amide
-
ME492754
-
-
6.0439997
-
Fasoracetam
Fasoracetam
ME500066
-
C13311
1.396
-
Fasoracetam +1.398
Fasoracetam
ME500067
-
C13311
1.398
-
Fasoracetam +3.599
Fasoracetam
ME500068
-
C13311
3.599
-
Fasoracetam +3.893
Fasoracetam
ME500069
-
C13311
3.893
-
Felbamate monocarboxylate
-
ME492755
-
C16591
3.8818002
-
Felbamate monocarboxylate -3.113
-
ME500070
-
C16591
3.113
-
Fenamisal
-
ME500071
-
-
1.383
-
Fenapanil
-
ME495871
-
C11207
1.391
-
Fenbufen
-
ME500072
-
-
5.037
-
Fenbufen +1.237
-
ME500073
-
-
1.237
-
Fenclorim
-
ME500074
-
C18832
0.799
-
Fenirofibrate
-
ME495872
-
-
5.591
-
Fenofibrate
Fenofibrate
ME500075
-
C07586
1.39
-
Fenothiocarb
Fenothiocarb
ME500076
-
C11084
1.624
-
Fenothiocarb sulfoxide
Fenothiocarb sulfoxide
ME500077
-
C11085
1.319
-
Fenoxycarb
-
ME495873
-
C11078
1.3945
-
Fenoxycarb -5.6638002
-
ME492756
-
C11078
5.6638002
-
Fenpropathrin
Fenpropathrin
ME500078
-
C18411
3.456
-
Fensulfothion
-
ME494238
-
C14510
4.068
-
Fenuron
1,1-dimethyl-3-phenyl-urea
ME500079
-
C11224
3.22
-
Fenuron +3.262
1,1-dimethyl-3-phenyl-urea
ME500080
-
C11224
3.262
-
Fenuron +3.3249998
1,1-dimethyl-3-phenyl-urea
ME495874
-
C11224
3.3249998
-
Fenuron +5.245
1,1-dimethyl-3-phenyl-urea
ME500081
-
C11224
5.245
-
Ferimzone
Ferimzone
ME490714
-
C18579
9.024868
-
Ferimzone +4.844
Ferimzone
ME500082
-
C18579
4.844
-
Feruloylagmatine
-
ME495875
-
C18325
4.7384996
-
Feruloylputrescine
Subaphylline
ME494239
-
C10497
4.4483333
-
Feruloylputrescine +3.099
Subaphylline
ME500083
-
C10497
3.099
-
Feruloylputrescine +3.663
Subaphylline
ME500084
-
C10497
3.663
-
Feruloylputrescine +3.843
Subaphylline
ME495876
-
C10497
3.843
-
Feruloylputrescine +6.213
Subaphylline
ME500085
-
C10497
6.213
-
F-Honaucin A
-
ME500086
-
-
3.187
-
F-Honaucin A -0.951
-
ME500088
-
-
0.951
-
F-Honaucin A +3.178
-
ME500087
-
-
3.178
-
Fibrin
Fibrin
ME492757
-
C00290
1.3906
-
Filicin
-
ME492758
-
C10693
6.9731994
-
Filicin +6.9
-
ME500089
-
C10693
6.9
-
Finaconitine
-
ME493374
-
C08684
6.948
-
FIPI
-
ME500090
-
-
5.134
-
FK-409
-
ME494240
-
-
1.3743334
-
FK-409 +1.29
-
ME500091
-
-
1.29
-
Flavokawin A
-
ME494241
-
-
3.1583335
-
Flavokawin A +6.652
-
ME500092
-
-
6.652
-
Flavoxate
-
ME500093
-
C07809
1.631
-
Flavoxate +3.421
-
ME500094
-
C07809
3.421
-
Flecainide
-
ME495877
-
C07001
3.089
-
Fleroxacin
-
ME500095
-
C13179
4.245
-
Flindersine
-
ME500096
-
C10679
3.76
-
Flindersine +1.614
-
ME500097
-
C10679
1.614
-
Flindersine +3.88
-
ME500098
-
C10679
3.88
-
Fluacrypyrim
-
ME500099
-
C18595
3.831
-
Fludarabine
-
ME495878
-
-
1.3975
-
Fludrocortisone acetate
Fludrocortisone acetate
ME500100
-
C08186
7.251
-
Fluenetil
-
ME500101
-
C19031
1.11
-
Flufenoxuron
-
ME494242
-
C18430
6.457334
-
flumethasone pivalate
-
ME500102
-
-
6.268
-
flumethasone pivalate -6.117
-
ME500104
-
-
6.117
-
flumethasone pivalate +6.615
-
ME500103
-
-
6.615
-
Flunarizine
Flunarizine
ME495879
-
-
8.399
-
Flunarizine 4-oxide
-
ME500105
-
-
5.144
-
Fluopicolide
-
ME492759
-
C18464
8.3132
-
Fluoroureidopropionic acid
-
ME500106
-
C16631
0.912
-
Fluoxetine
Fluoxetine
ME500107
-
C07008
1.191
-
Flupenthixol-O-glucuronide
-
ME500111
-
-
3.14
-
Flupenthixol-O-glucuronide +3.2253335
-
ME494243
-
-
3.2253335
-
Flupenthixol-O-glucuronide +3.4295
-
ME495880
-
-
3.4295
-
Flupenthixol-O-glucuronide +3.6863334
-
ME494244
-
-
3.6863334
-
Flupenthixol-O-glucuronide +3.735
-
ME494245
-
-
3.735
-
Flupenthixol sulfoxide
-
ME500108
-
-
3.193
-
Flupenthixol sulfoxide +3.418
-
ME500109
-
-
3.418
-
Flupenthixol sulfoxide +8.489
-
ME500110
-
-
8.489
-
Fluperlapine
-
ME500112
-
C10967
3.779
-
Fluphenazine
-
ME500113
-
C07010
1.622
-
Fluphenazine enanthate
-
ME495881
-
C07955
3.7684999
-
Flupropanate
-
ME495882
-
C18854
0.95949996
-
Fluprostenol methyl ester
-
ME500114
-
-
7.591
-
Fluprostenol methyl ester -7.649
-
ME500115
-
-
7.649
-
Flurazepam
-
ME500116
-
C07012
3.411
-
Flusilazole
-
ME500117
-
C18733
1.633
-
Flutriafol
-
ME495883
-
C18734
3.4724998
-
Flutriafol +3.6463335
-
ME494246
-
C18734
3.6463335
-
Fluvoxamine
Fluvoxamine
ME490836
-
C07571
6.4587145
-
Fluvoxamine +6.4075003
Fluvoxamine
ME495884
-
C07571
6.4075003
-
Fluvoxamine +6.624901
Fluvoxamine
ME491322
-
C07571
6.624901
-
Fonofos
-
ME495885
-
C18987
0.9635
-
Fonofos -0.964
-
ME500118
-
C18987
0.964
-
Formimino-L-glutamic acid
Formiminoglutamic acid
ME500119
-
C00439
1.241
-
Formimino-L-glutamic acid -1.294
Formiminoglutamic acid
ME500120
-
C00439
1.294
-
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine
ME495886
-
C05647
1.4000001
-
Formylisoglutamine
-
ME500121
-
C16674
1.298
-
Fortimicin KK1
-
ME494247
-
C17974
3.9683332
-
Fridamycin E
-
ME500122
-
C12451
5.594
-
Fructoselysine
Fructosyllysine
ME500123
-
C16488
0.922
-
Fuberidazole
Fubridazole
ME492287
-
C18737
0.8843334
-
Fuberidazole +3.83
Fubridazole
ME500124
-
C18737
3.83
-
Fulvine
Fulvine
ME500125
-
C10304
3.553
-
Fulvine +4.112
Fulvine
ME500126
-
C10304
4.112
-
Fulvine +4.406
Fulvine
ME494248
-
C10304
4.406
-
Fulvine -5.731
Fulvine
ME500127
-
C10304
5.731
-
Fulvinervin B
-
ME495887
-
-
5.8219995
-
Fulvinervin B +1.395
-
ME500128
-
-
1.395
-
Fulvinervin B +1.617
-
ME500129
-
-
1.617
-
Funtumine
Funtumine
ME500130
-
C10806
4.917
-
Furafylline
Furafylline
ME495888
-
-
1.6175001
-
Furafylline +1.35575
Furafylline
ME493375
-
-
1.35575
-
Furafylline -1.38575
Furafylline
ME493376
-
-
1.38575
-
Furafylline +1.5635
Furafylline
ME495889
-
-
1.5635
-
Furafylline -1.618
Furafylline
ME500133
-
-
1.618
-
Furafylline +1.6220001
Furafylline
ME494249
-
-
1.6220001
-
Furafylline +2.611
Furafylline
ME500131
-
-
2.611
-
Furafylline +3.194
Furafylline
ME500132
-
-
3.194
-
Furano[2'',3'':6,7]aurone
-
ME500134
-
-
3.019
-
Furanodiene
Furanodiene
ME500135
-
C16959
6.08
-
Furanodienone
-
ME500136
-
C16960
5.767
-
Furathiocarb
Furathiocarb
ME500137
-
C18650
6.648
-
Furfural
2-Furancarboxaldehyde
ME495890
-
C14279
0.9555
-
Furfural +1.401
2-Furancarboxaldehyde
ME494250
-
C14279
1.401
-
Furfural diethyl acetal
-
ME500138
-
C14280
1.629
-
Furfural diethyl acetal +1.388
-
ME500139
-
C14280
1.388
-
Furfural diethyl acetal +3.8725
-
ME495891
-
C14280
3.8725
-
Furfural diethyl acetal -4.46
-
ME500142
-
C14280
4.46
-
Furfural diethyl acetal -4.578
-
ME500143
-
C14280
4.578
-
Furfural diethyl acetal +4.964
-
ME500140
-
C14280
4.964
-
Furfural diethyl acetal +5.075
-
ME500141
-
C14280
5.075
-
Furfural diethyl acetal -5.27
-
ME500144
-
C14280
5.27
-
Furfural diethyl acetal +6.207333
-
ME494251
-
C14280
6.207333
-
Furmecyclox
Furmecyclox
ME494252
-
C18912
12.024999
-
Furmecyclox +3.961
Furmecyclox
ME495892
-
C18912
3.961
-
Furmecyclox +4.057
Furmecyclox
ME500145
-
C18912
4.057
-
Furmecyclox +5.825
Furmecyclox
ME500146
-
C18912
5.825
-
Fursultiamine
-
ME500147
-
C18376
3.57
-
Fursultiamine +1.623
-
ME500148
-
C18376
1.623
-
Fursultiamine -3.415
-
ME500150
-
C18376
3.415
-
Fursultiamine +3.613
-
ME500149
-
C18376
3.613
-
Fusicoccin A
-
ME490715
-
-
10.3006
-
Fusicoccin H
-
ME500151
-
C09093
6.847
-
Fusicoccin H -6.86
-
ME500152
-
C09093
6.86
-
(-)-Fusicoplagin A
-
ME494626
-
-
5.3055
-
(-)-Fusidic acid
Fusidic acid
ME496575
-
C06694
6.795
-
(-)-Fusidic acid +6.89
Fusidic acid
ME496576
-
C06694
6.89
-
Gabaculine
-
ME494253
-
C12110
1.0316666
-
Gabaculine +1.1775
-
ME492288
-
C12110
1.1775
-
Gabaculine +1.222
-
ME500153
-
C12110
1.222
-
Gabaculine +1.25225
-
ME491702
-
C12110
1.25225
-
Gabaculine +1.2533334
-
ME494254
-
C12110
1.2533334
-
Gabaculine +1.3984
-
ME492760
-
C12110
1.3984
-
Gabaculine -2.993
-
ME500154
-
C12110
2.993
-
Gabaculine -3.8474998
-
ME495893
-
C12110
3.8474998
-
Gabaculine -4.4005003
-
ME495894
-
C12110
4.4005003
-
Gabapentin
Gabapentin
ME491478
-
C07018
5.6349998
-
Gabapentin +12.3175
Gabapentin
ME495896
-
C07018
12.3175
-
Gabapentin +1.398
Gabapentin
ME495895
-
C07018
1.398
-
Gabapentin +5.569
Gabapentin
ME500155
-
C07018
5.569
-
Gal?1-3GlcNAc?-Sp
-
ME494255
-
-
7.182667
-
Gal?1-4GlcNAc?-Sp
-
ME500156
-
-
9.058
-
Galabiosylceramide (d18:1/12:0)
-
ME500157
-
-
9.724
-
Galactan
-
ME495897
-
C05796
10.0095005
-
Galactose-beta-1,4-xylose
-
ME500158
-
-
1.081
-
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:...
-
ME500159
-
-
9.874
-
Galbeta-Cer(d18:1/16:0)
-
ME500160
-
-
0.886
-
Gallocatechin-4beta-ol
-
ME500161
-
C05909
0.949
-
GalNAc?1-4[Fuc?1-3]GlcNAc?-Sp
-
ME500162
-
-
6.97
-
GalNAc?1-4GlcNAc?-Sp
-
ME492761
-
-
3.3129997
-
?-Gal-NONOate
-
ME496683
-
-
1.628
-
Gambieric acid B
-
ME500163
-
C16886
8.482
-
Gancaonin Q
-
ME495898
-
-
3.4425
-
Ganglioside GM3 (d18:0/22:1(13Z))
-
ME494256
-
-
10.586333
-
Gardoside
-
ME500164
-
C16963
1.309
-
Gardoside -3.683
-
ME500165
-
C16963
3.683
-
Gatifloxacin
Gatifloxacin
ME500166
-
C07661
1.403
-
Gatifloxacin +1.6273333
Gatifloxacin
ME494257
-
C07661
1.6273333
-
Gatifloxacin +1.633
Gatifloxacin
ME500167
-
C07661
1.633
-
Gelsemicine
Gelsemicine
ME495899
-
C09203
7.1105
-
Gelsemicine +4.235
Gelsemicine
ME500168
-
C09203
4.235
-
Gelsemicine -6.2905
Gelsemicine
ME495901
-
C09203
6.2905
-
Gelsemicine -7.107
Gelsemicine
ME500169
-
C09203
7.107
-
Gelsemicine +7.24
Gelsemicine
ME495900
-
C09203
7.24
-
Gemfibrozil, metabolite II
-
ME500170
-
-
4.969
-
Gemfibrozil, metabolite II -11.626187
-
ME490516
-
-
11.626187
-
Gemfibrozil, metabolite II +5.396
-
ME500171
-
-
5.396
-
Gemfibrozil, metabolite II +6.588
-
ME500172
-
-
6.588
-
Gemifloxacin
-
ME500173
-
-
1.391
-
Genipin 1-beta-gentiobioside
-
ME500174
-
C16965
6.536
-
Gentamicin
-
ME500175
-
C00505
12.049
-
Gentamicin C1a
-
ME492289
-
C00908
5.0485
-
Gentamicin C1a +4.741
-
ME500176
-
C00908
4.741
-
Gentamicin C1a +4.907
-
ME494258
-
C00908
4.907
-
Gentamicin X2
-
ME494259
-
C17702
9.232667
-
Gentamicin X2 -10.396999
-
ME493377
-
C17702
10.396999
-
Gentamicin X2 -10.571
-
ME492290
-
C17702
10.571
-
Gentamicin X2 -10.5945
-
ME495902
-
C17702
10.5945
-
Gentamicin X2 -10.598384
-
ME490940
-
C17702
10.598384
-
Gentamicin X2 -9.657
-
ME500177
-
C17702
9.657
-
Gentamicin X2 -9.70325
-
ME491703
-
C17702
9.70325
-
Gentian violet
-
ME492762
-
-
5.5598
-
Gentisein
Gentisein
ME500178
-
C10065
5.828
-
geodisterol-O-sulfite
-
ME500179
-
-
6.846
-
geodisterol-O-sulfite -6.9160004
-
ME493378
-
-
6.9160004
-
Geranylhydroquinone
Geranylhydroquinone
ME500180
-
C10793
3.852
-
Geranylhydroquinone +1.4
Geranylhydroquinone
ME500181
-
C10793
1.4
-
Geranylhydroquinone +1.629
Geranylhydroquinone
ME500182
-
C10793
1.629
-
Gestrinone
Gestrinone
ME494260
-
-
10.401334
-
Gestrinone +10.483
Gestrinone
ME495903
-
-
10.483
-
Gibberellin A29
-
ME492763
-
C06096
3.4552002
-
gibberellin A2 O-beta-D-glucoside
-
ME500183
-
-
3.1
-
Gibberellin A36
-
ME500184
-
C11862
11.086
-
Gibberellin A44
-
ME494261
-
C12308
3.0866668
-
Gibberellin A53
Gibberellin A53
ME493379
-
C06094
3.51925
-
Gibberellin A8
Gibberellin A8
ME500185
-
C03579
6.586
-
Gibberellin A8-catabolite
Gibberellin A8-catabolite
ME493380
-
C11870
3.55525
-
Gibberellin A9
Gibberellin A9
ME500186
-
C11863
4.741
-
Gibberellin A9 +6.134
Gibberellin A9
ME500187
-
C11863
6.134
-
Gingerdione
-
ME500188
-
C10459
1.401
-
Gingerdione +11.415
-
ME500189
-
C10459
11.415
-
Glabrescione B
-
ME500190
-
-
7.531
-
Glaucolide B
-
ME500191
-
C09465
4.915
-
GlcCer(d18:2/20:0)
GlcCer 18:2;O2/20:0
ME500192
-
-
0.897
-
GlcCer(d18:2/20:0) +0.9026666
GlcCer 18:2;O2/20:0
ME494262
-
-
0.9026666
-
Gln Asn His
Gln-Asn-His
ME500193
-
-
1.088
-
Gln Asn Tyr
Gln-Asn-Tyr
ME495904
-
-
1.3945
-
Gln Gln Ile
Gln-Gln-Ile
ME500194
-
-
3.42
-
Gln Gln Trp
Gln-Gln-Trp
ME494263
-
-
10.117001
-
Gln Gln Trp -10.265
Gln-Gln-Trp
ME500196
-
-
10.265
-
Gln Gln Trp +3.096
Gln-Gln-Trp
ME500195
-
-
3.096
-
Gln Glu Ile
Gln-Glu-Ile
ME493381
-
-
3.1922498
-
Gln Glu Ile +3.2220001
Gln-Glu-Ile
ME494264
-
-
3.2220001
-
Gln Glu Phe
Gln-Glu-Phe
ME500197
-
-
4.355
-
Gln Glu Phe +3.438
Gln-Glu-Phe
ME495905
-
-
3.438
-
Gln Glu Phe +4.445
Gln-Glu-Phe
ME500198
-
-
4.445
-
Gln Gly Thr
Gln-Gly-Thr
ME495906
-
-
5.4095
-
Gln His Thr
Gln-His-Thr
ME495907
-
-
6.79
-
Gln Lys Ile
Gln-Lys-Ile
ME494265
-
-
4.8096666
-
Gln Phe Ile
Gln-Phe-Ile
ME495908
-
-
7.1825
-
Gln Phe Leu
Gln-Phe-Leu
ME495909
-
-
7.7645
-
Gln Phe Leu -9.060666
Gln-Phe-Leu
ME494266
-
-
9.060666
-
Gln Pro
Gln-Pro
ME494267
-
-
1.4413334
-
Gln Pro Ala
Gln-Pro-Ala
ME491952
-
-
3.0368571
-
Gln Pro Ala -3.047
Gln-Pro-Ala
ME500199
-
-
3.047
-
Gln Pro Ala +3.093
Gln-Pro-Ala
ME495910
-
-
3.093
-
Gln Pro Ala +3.3845
Gln-Pro-Ala
ME495911
-
-
3.3845
-
Gln Pro Gln
Gln-Pro-Gln
ME500200
-
-
4.524
-
Gln Pro Pro
Gln-Pro-Pro
ME495912
-
-
3.84
-
Gln Pro Pro +3.295
Gln-Pro-Pro
ME500201
-
-
3.295
-
Gln Pro Pro +4.5526
Gln-Pro-Pro
ME492764
-
-
4.5526
-
Gln Pro Trp
Gln-Pro-Trp
ME494268
-
-
6.4810004
-
Gln Ser Asp
Gln-Ser-Asp
ME500202
-
-
3.987
-
Gln Ser Ser
Gln-Ser-Ser
ME494269
-
-
11.012334
-
Gln Trp Ser
Gln-Trp-Ser
ME493382
-
-
1.6297499
-
Gln Trp Trp
Gln-Trp-Trp
ME500203
-
-
6.795
-
Gln Trp Trp +6.89
Gln-Trp-Trp
ME500204
-
-
6.89
-
Gln Trp Trp +7.277
Gln-Trp-Trp
ME500205
-
-
7.277
-
Gln Tyr Asn
Gln-Tyr-Asn
ME500206
-
-
1.612
-
Gln Val Asp
Gln-Val-Asp
ME500207
-
-
0.83
-
Gln Val Asp +4.354
Gln-Val-Asp
ME500208
-
-
4.354
-
Gloriosine
-
ME500209
-
C19981
0.943
-
Gloriosine +1.633
-
ME500210
-
C19981
1.633
-
Glu Ala Ala
Glu-Ala-Ala
ME494270
-
-
1.4476666
-
Glu Ala Asn
Glu-Ala-Asn
ME500211
-
-
3.669
-
Glu Arg Glu
Glu-Arg-Glu
ME494271
-
-
9.706667
-
Glu Asn Tyr
Glu-Asn-Tyr
ME494272
-
-
1.2473334
-
Glucoheptonic acid
Glucoheptonic acid
ME500232
-
-
1.403
-
Glucosylgalactosyl hydroxylysine
Glucosylgalactosyl hydroxylysine
ME494274
-
-
7.7826667
-
Glucosyloxyanthraquinone
-
ME500233
-
C03503
6.344
-
Glucovanillin
-
ME500234
-
C19808
1.632
-
Glucuronolactone
Glucuronolactone
ME492766
-
C02670
1.7004
-
Glu Cys Met
Glu-Cys-Met
ME500212
-
-
3.553
-
Glu Cys Met +3.784
Glu-Cys-Met
ME500213
-
-
3.784
-
Glu Gln
Glu-Gln
ME494273
-
-
1.036
-
Glu Gln Arg
Glu-Gln-Arg
ME495913
-
-
6.291
-
Glu Gln Leu
Glu-Gln-Leu
ME495914
-
-
3.1985002
-
Glu Glu Thr
Glu-Glu-Thr
ME500214
-
-
4.473
-
Glu His Glu
Glu-His-Glu
ME500215
-
-
3.139
-
Glu His Pro
Glu-His-Pro
ME500216
-
-
1.627
-
Glu Ile
Glu-Ile
ME495915
-
-
3.0970001
-
Glu Ile +1.673
Glu-Ile
ME500217
-
-
1.673
-
Glu Ile +1.745
Glu-Ile
ME500218
-
-
1.745
-
Glu Ile -3.6935
Glu-Ile
ME493383
-
-
3.6935
-
Glu Ile Ala
Glu-Ile-Ala
ME500219
-
-
3.187
-
Glu Ile Ala -3.482
Glu-Ile-Ala
ME500220
-
-
3.482
-
Glu Ile Ala -3.607
Glu-Ile-Ala
ME500221
-
-
3.607
-
Glu Leu Gly
Glu-Leu-Gly
ME500222
-
-
3.489
-
Glu Leu Trp
Glu-Leu-Trp
ME495916
-
-
9.9985
-
Glu Lys Arg
Glu-Lys-Arg
ME500223
-
-
8.207
-
Glu Lys Asp
Glu-Lys-Asp
ME500224
-
-
3.23
-
Glu-P-1
-
ME494275
-
C19244
4.2339997
-
Glu-P-1 +1.636
-
ME500235
-
C19244
1.636
-
Glu-P-1 +3.798
-
ME500236
-
C19244
3.798
-
Glu-P-1 +5.666
-
ME500237
-
C19244
5.666
-
Glu-P-2
-
ME500238
-
C19245
1.398
-
Glu-P-2 +3.679
-
ME500239
-
C19245
3.679
-
Glu-P-2 +3.9275
-
ME495921
-
C19245
3.9275
-
Glu-P-2 +4.022
-
ME494276
-
C19245
4.022
-
Glu-P-2 +4.415
-
ME500240
-
C19245
4.415
-
Glu Phe Ala
Glu-Phe-Ala
ME500225
-
-
3.104
-
Glu Phe Asn
Glu-Phe-Asn
ME500226
-
-
10.018
-
Glu Phe Glu
Glu-Phe-Glu
ME495917
-
-
3.358
-
Glu Phe Glu +3.46
Glu-Phe-Glu
ME495918
-
-
3.46
-
Glu Phe Glu +3.554
Glu-Phe-Glu
ME495919
-
-
3.554
-
Glu Phe Tyr
Glu-Phe-Tyr
ME500227
-
-
3.92
-
Glu Pro Pro
Glu-Pro-Pro
ME492765
-
-
3.1571999
-
Glu Pro Val
Glu-Pro-Val
ME500228
-
-
0.94
-
Glu Ser Phe
Glu-Ser-Phe
ME500229
-
-
3.034
-
Glutamine
Glutamine
ME495922
-
C00064
0.9275
-
?-Glutamyl-?-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME491778
-
C15700
1.2621429
-
?-Glutamyl-?-aminobutyraldehyde +1.1485
gamma-Glutamyl-gamma-aminobutyraldehyde
ME494674
-
C15700
1.1485
-
?-Glutamyl-?-aminobutyraldehyde +1.651
gamma-Glutamyl-gamma-aminobutyraldehyde
ME492956
-
C15700
1.651
-
?-Glutamyl-?-aminobutyraldehyde +3.3745
gamma-Glutamyl-gamma-aminobutyraldehyde
ME492957
-
C15700
3.3745
-
?-Glutamyl-?-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME493648
-
C06114
2.2343333
-
?-Glutamyl-?-aminopropiononitrile +1.3835
gamma-Glutamyl-beta-aminopropiononitrile
ME494675
-
C06114
1.3835
-
?-Glutamyl-?-cyanoalanine
gamma-Glutamyl-beta-cyanoalanine
ME491374
-
C05711
1.3724445
-
Glutamylphenylalanine
Glu-Phe
ME493384
-
-
4.1275
-
Glutarimide
-
ME493385
-
C07275
1.6777499
-
Glutathione, oxidized
Oxidized glutathione
ME500241
-
C00127
11.427
-
Glutinosone
Glutinosone
ME490517
-
C09673
11.3015
-
Glutinosone +11.715
Glutinosone
ME495923
-
C09673
11.715
-
Glu Tyr Pro
Glu-Tyr-Pro
ME492291
-
-
3.4086666
-
Glu Val Asp
Glu-Val-Asp
ME500230
-
-
1.063
-
Glu Val Gly
Glu-Val-Gly
ME495920
-
-
1.3885
-
Glu Val Pro
Glu-Val-Pro
ME500231
-
-
3.837
-
Gly Arg Ile
Gly-Arg-Ile
ME500242
-
-
3.528
-
Gly Asn Asn
Gly-Asn-Asn
ME500243
-
-
3.751
-
Gly Asn Lys
Gly-Asn-Lys
ME495924
-
-
0.941
-
Gly Asp Gly
Gly-Asp-Gly
ME492292
-
-
5.1796665
-
Gly Asp Gly -5.246
Gly-Asp-Gly
ME500244
-
-
5.246
-
Glyburide
Glyburide
ME500275
-
C07022
3.575
-
Glyburide -3.674
Glyburide
ME500276
-
C07022
3.674
-
Glycerol
Glycerol
ME500277
-
C00116
1.019
-
Glycerophospho-N-Arachidonoyl Ethanolamine
Glycerophospho-N-arachidonoyl ethanolamine
ME500278
-
-
5.554
-
Glycobismine A
-
ME500279
-
C10685
3.17
-
Glycobismine A +3.311
-
ME500280
-
C10685
3.311
-
glycodeoxycholic acid
Glycodeoxycholic acid
ME495932
-
C05464
7.7815
-
Glycolic acid
Glycolic acid
ME500281
-
C00160
3.241
-
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME495933
-
-
9.0765
-
Glycyl-L-leucine
Gly-Leu
ME490837
-
C02155
1.3293571
-
Glycyl-L-leucine +1.1238
Gly-Leu
ME492769
-
C02155
1.1238
-
Glycyl-L-leucine -1.153
Gly-Leu
ME500283
-
C02155
1.153
-
Glycyl-L-leucine -1.329
Gly-Leu
ME500284
-
C02155
1.329
-
Glycyl-L-leucine +1.3846666
Gly-Leu
ME492294
-
C02155
1.3846666
-
Glycyl-L-leucine +2.123
Gly-Leu
ME500282
-
C02155
2.123
-
Glycyl-L-leucine +2.162
Gly-Leu
ME495934
-
C02155
2.162
-
Glycyl-L-leucine +3.2303333
Gly-Leu
ME494284
-
C02155
3.2303333
-
Glycyl-L-leucine -3.6330001
Gly-Leu
ME494285
-
C02155
3.6330001
-
Glycyl-L-leucine +3.6463335
Gly-Leu
ME492295
-
C02155
3.6463335
-
Glycyl-L-leucine -3.76075
Gly-Leu
ME493387
-
C02155
3.76075
-
Glycyl-L-leucine +3.7738333
Gly-Leu
ME492296
-
C02155
3.7738333
-
Gly Gly Val
Gly-Gly-Val
ME500245
-
-
0.978
-
Gly Gly Val +1.403
Gly-Gly-Val
ME495925
-
-
1.403
-
Gly His
Gly-His
ME494277
-
-
3.6516666
-
Gly His +3.471
Gly-His
ME500246
-
-
3.471
-
Gly-His-OH
-
ME495935
-
-
0.95350003
-
Gly His Phe
Gly-His-Phe
ME492293
-
-
1.6211667
-
Gly His Phe +3.254
Gly-His-Phe
ME500247
-
-
3.254
-
Gly His Val
Gly-His-Val
ME492767
-
-
1.3255999
-
Gly His Val +1.386
Gly-His-Val
ME500248
-
-
1.386
-
Gly His Val +1.3970001
Gly-His-Val
ME495926
-
-
1.3970001
-
Gly-HoPhe-OH
-
ME500285
-
-
1.613
-
Gly Ile Ala
Gly-Ile-Ala
ME491479
-
-
1.3862222
-
Gly Ile Ala +1.397
Gly-Ile-Ala
ME500249
-
-
1.397
-
Gly Ile Ala -3.566
Gly-Ile-Ala
ME500250
-
-
3.566
-
Gly Leu Arg
Gly-Leu-Arg
ME500251
-
-
3.09
-
Gly Leu Arg +13.437333
Gly-Leu-Arg
ME494278
-
-
13.437333
-
Gly Leu Arg +3.179
Gly-Leu-Arg
ME500252
-
-
3.179
-
Gly Leu Glu
Gly-Leu-Glu
ME500253
-
-
3.65
-
Gly Leu Leu
Gly-Leu-Leu
ME495927
-
-
4.002
-
Gly Leu Leu +3.2363331
Gly-Leu-Leu
ME494279
-
-
3.2363331
-
Gly Leu Leu +3.392
Gly-Leu-Leu
ME500254
-
-
3.392
-
Gly Leu Leu -3.987
Gly-Leu-Leu
ME500259
-
-
3.987
-
Gly Leu Leu +4.133
Gly-Leu-Leu
ME500255
-
-
4.133
-
Gly Leu Leu +4.437
Gly-Leu-Leu
ME500256
-
-
4.437
-
Gly Leu Leu +4.681
Gly-Leu-Leu
ME500257
-
-
4.681
-
Gly Leu Leu +4.776
Gly-Leu-Leu
ME500258
-
-
4.776
-
Gly Leu Leu +4.848
Gly-Leu-Leu
ME495928
-
-
4.848
-
Gly Leu Leu -5.339
Gly-Leu-Leu
ME500260
-
-
5.339
-
Gly Phe
Gly-Phe
ME500261
-
-
3.999
-
Gly Phe +3.112
Gly-Phe
ME492768
-
-
3.112
-
Gly Phe Ile
Gly-Phe-Ile
ME494280
-
-
1.3273333
-
Gly Pro Ala
Gly-Pro-Ala
ME500262
-
-
0.947
-
Gly Pro Gly
Gly-Pro-Gly
ME500263
-
-
1.607
-
Gly Pro Gly +1.2675
Gly-Pro-Gly
ME495929
-
-
1.2675
-
Gly Pro Gly +1.379
Gly-Pro-Gly
ME500264
-
-
1.379
-
Gly Pro Gly +3.07
Gly-Pro-Gly
ME494281
-
-
3.07
-
Gly Pro Ile
Gly-Pro-Ile
ME500265
-
-
3.325
-
Gly Pro Val
Gly-Pro-Val
ME494282
-
-
1.048
-
Gly-Ser-OH
-
ME494286
-
-
4.4839997
-
Gly Ser Trp
Gly-Ser-Trp
ME500266
-
-
3.509
-
Gly Thr Lys
Gly-Thr-Lys
ME495930
-
-
7.3424997
-
Gly Trp Phe
Gly-Trp-Phe
ME500267
-
-
3.965
-
Gly Tyr Arg
Gly-Tyr-Arg
ME500268
-
-
0.928
-
Gly Tyr Asn
Gly-Tyr-Asn
ME500269
-
-
3.816
-
Gly Tyr Gly
Gly-Tyr-Gly
ME500270
-
-
0.987
-
Gly Tyr Pro
Gly-Tyr-Pro
ME500271
-
-
3.236
-
Gly Val Glu
Gly-Val-Glu
ME493386
-
-
1.396
-
Gly Val Glu +3.6255
Gly-Val-Glu
ME495931
-
-
3.6255
-
Gly Val Ile
Gly-Val-Ile
ME500272
-
-
3.406
-
Gly Val Met
Gly-Val-Met
ME494283
-
-
4.485
-
Gly Val Met +4.536
Gly-Val-Met
ME500273
-
-
4.536
-
Gly Val Tyr
Gly-Val-Tyr
ME500274
-
-
4.152
-
Gö 6983
-
ME495936
-
-
7.6645
-
Gö 6983 -7.88
-
ME500286
-
-
7.88
-
(±)-Goniothalesdiol
-
ME492430
-
-
6.5706
-
Gonyautoxin 5
-
ME500287
-
C20018
6.987
-
Gracillin
-
ME500288
-
C08901
7.861
-
Gramine
-
ME500289
-
C08304
3.809
-
Granisetron
-
ME500290
-
C07023
1.012
-
Granisetron -3.397
-
ME500292
-
C07023
3.397
-
Granisetron +6.63
-
ME500291
-
C07023
6.63
-
Granisetron metabolite 3
-
ME500293
-
-
10.926
-
Granisetron metabolite 4
-
ME495937
-
-
1.162
-
Granisetron metabolite 4 -10.412
-
ME500295
-
-
10.412
-
Granisetron metabolite 4 +1.193
-
ME500294
-
-
1.193
-
Graphinone
Ovalicin
ME490838
-
C09674
4.3380713
-
Graphinone +11.698
Ovalicin
ME500296
-
C09674
11.698
-
Graphinone +6.9438004
Ovalicin
ME492770
-
C09674
6.9438004
-
Graphinone -7.523
Ovalicin
ME500297
-
C09674
7.523
-
Graphinone +9.038
Ovalicin
ME493388
-
C09674
9.038
-
Graphinone +9.1108
Ovalicin
ME492771
-
C09674
9.1108
-
Graphinone +9.247428
Ovalicin
ME491953
-
C09674
9.247428
-
Grayanotoxin I
Grayanotoxin I
ME500298
-
C09103
8.349
-
Grayanotoxin I +6.445
Grayanotoxin I
ME500299
-
C09103
6.445
-
Grepafloxacin glucuronide
Grepafloxacin glucuronide
ME495938
-
C11597
1.3889999
-
GS 1500
-
ME500300
-
-
7.761
-
guanabenz
Guanabenz
ME500301
-
C07034
0.965
-
guanfacine
Guanfacine
ME492772
-
C07037
0.8366
-
Guanidine
Agmatine
ME500302
-
C00179
0.936
-
Guanidinoproclavaminic acid
-
ME500303
-
C06657
4.166
-
Guanidinoproclavaminic acid +0.954
-
ME500304
-
C06657
0.954
-
Guanidinoproclavaminic acid +4.474
-
ME500305
-
C06657
4.474
-
Guanosine
Guanosine
ME492773
-
C00387
2.9776
-
Guanosine -2.906
Guanosine
ME500306
-
C00387
2.906
-
Guvacoline
Guvacoline
ME495939
-
C16821
1.403
-
Guvacoline +3.07
Guvacoline
ME493389
-
C16821
3.07
-
GW 0791
-
ME500307
-
C15644
5.343
-
GW 409544
-
ME500308
-
C15623
7.285
-
GW 4869
-
ME500309
-
-
12.18
-
GW 627368X
-
ME491323
-
-
11.431899
-
GW 9662
-
ME500310
-
C15627
3.119
-
GW 9662 -3.178
-
ME500311
-
C15627
3.178
-
GW 9662 -3.223
-
ME500312
-
C15627
3.223
-
GW 9662 -3.511
-
ME500313
-
C15627
3.511
-
GYKI 52895
-
ME500314
-
C15094
1.62
-
Gymnemic acid I
Gymnemic acid I
ME495940
-
C08947
6.0795
-
Gymnemic acid I -5.9255
Gymnemic acid I
ME493390
-
C08947
5.9255
-
GYY 4137
-
ME500315
-
-
0.963
-
H-1152
-
ME495941
-
-
4.1945
-
Haemanthidine
-
ME495942
-
C12174
4.727
-
Halaminol A
Halaminol A
ME491480
-
-
12.222111
-
Halaminol A +11.911
Halaminol A
ME500316
-
-
11.911
-
Halaminol A +12.585856
Halaminol A
ME491954
-
-
12.585856
-
halazone
-
ME494287
-
-
1.4050001
-
Haloxydine
-
ME500317
-
C19091
2.282
-
Harderoporphyrinogen
-
ME500318
-
-
9.08
-
Harderoporphyrinogen +9.121
-
ME500319
-
-
9.121
-
Harderoporphyrinogen +9.2505
-
ME495943
-
-
9.2505
-
Harmine
Harmine
ME494288
-
C06538
3.6996667
-
Harzianopyridone
Harzianopyridone
ME495944
-
C10150
1.629
-
Harzianopyridone +3.12
Harzianopyridone
ME495945
-
C10150
3.12
-
Harzianopyridone +3.315
Harzianopyridone
ME500320
-
C10150
3.315
-
Harzianopyridone +3.4035
Harzianopyridone
ME495946
-
C10150
3.4035
-
Harzianopyridone +3.5405002
Harzianopyridone
ME495947
-
C10150
3.5405002
-
Harzianopyridone +3.93725
Harzianopyridone
ME493391
-
C10150
3.93725
-
Harzianopyridone +4.994
Harzianopyridone
ME500321
-
C10150
4.994
-
HC Blue No. 2
-
ME492774
-
C19429
3.04
-
HC Blue No. 2 +1.3686666
-
ME494289
-
C19429
1.3686666
-
HC Blue No. 2 +1.621
-
ME500322
-
C19429
1.621
-
HC Blue No. 2 +3.043
-
ME495948
-
C19429
3.043
-
HC Yellow No. 4
-
ME491324
-
C19431
3.4166
-
HC Yellow No. 4 +1.327
-
ME495949
-
C19431
1.327
-
HC Yellow No. 4 -3.4049997
-
ME490716
-
C19431
3.4049997
-
Hecogenin Acetate
-
ME492775
-
-
8.0542
-
Hederacoside C
-
ME500323
-
-
6.967
-
Helilupolone
-
ME495950
-
-
6.244
-
Helilupolone +6.3385005
-
ME492297
-
-
6.3385005
-
Heliotrine
Heliotrine
ME500324
-
C10324
4.899
-
Heliotrine +5.025
Heliotrine
ME500325
-
C10324
5.025
-
Hematoporphyrin
Hematoporphyrin
ME500326
-
-
6.322
-
Hemigossypol
Hemigossypol
ME494290
-
C09680
8.297334
-
Hemigossypol +3.3586667
Hemigossypol
ME494291
-
C09680
3.3586667
-
Heptabarbital
-
ME494292
-
C17725
4.1489997
-
Heptachlor epoxide
-
ME495951
-
C14327
0.88600004
-
heptadeca-2,9-dien-4,6-diyn-1,8-diol
-
ME500327
-
-
3.029
-
heptadeca-2,9-dien-4,6-diyn-1,8-diol +11.6995
-
ME495952
-
-
11.6995
-
heptadeca-2,9-dien-4,6-diyn-1,8-diol +11.708
-
ME500328
-
-
11.708
-
Heptaminol
-
ME491704
-
-
1.398125
-
Heptaminol +1.5320001
-
ME495953
-
-
1.5320001
-
Heptopargil
-
ME500329
-
C19134
1.211
-
Heptyl p-hydroxybenzoate
Heptyl 4-hydroxybenzoate
ME490518
-
C14718
9.263064
-
Herbacetin 3-glucuronide-8-glucoside
-
ME495954
-
-
6.8365
-
Heritonin
Heritonin
ME491705
-
C09936
1.391
-
Heritonin +1.219
Heritonin
ME495955
-
C09936
1.219
-
Heritonin +1.6205
Heritonin
ME495956
-
C09936
1.6205
-
Heritonin +3.076
Heritonin
ME495957
-
C09936
3.076
-
Heudelottin C
-
ME500330
-
-
7.268
-
hexachlorophene
-
ME500331
-
C08039
0.905
-
Hexadecanoic acid, 2-amino-, (R)-; (R)-2-Aminohexa...
-
ME494293
-
-
9.503333
-
Hexadecanoic acid, 2-iodo-; 2-Iodohexadecanoic aci...
-
ME500332
-
-
5.555
-
Hexahomomethionine
Hexahomomethionine
ME500333
-
C17233
5.155
-
?-Hexalactone
-
ME492443
-
-
4.0350003
-
?-Hexalactone +1.391
-
ME496684
-
-
1.391
-
?-Hexalactone +3.6315
-
ME494676
-
-
3.6315
-
?-Hexalactone +5.6145
-
ME494677
-
-
5.6145
-
Hexandraside D
-
ME495958
-
-
1.608
-
Hexandraside D +1.396
-
ME500334
-
-
1.396
-
hexane
Hexane
ME500335
-
C11271
5.157
-
Hexanoylglycine
Hexanoylglycine
ME490839
-
-
1.3787858
-
Hexanoylglycine +1.238
Hexanoylglycine
ME500336
-
-
1.238
-
Hexanoylglycine +1.2613333
Hexanoylglycine
ME492298
-
-
1.2613333
-
Hexanoylglycine +1.321
Hexanoylglycine
ME495959
-
-
1.321
-
Hexanoylglycine +1.6102499
Hexanoylglycine
ME491045
-
-
1.6102499
-
Hexanoylglycine +4.1555
Hexanoylglycine
ME491706
-
-
4.1555
-
Hexanoylglycine +4.4425
Hexanoylglycine
ME495960
-
-
4.4425
-
Hexanoylglycine +4.488
Hexanoylglycine
ME491163
-
-
4.488
-
Hexanoylglycine +4.7264996
Hexanoylglycine
ME493392
-
-
4.7264996
-
Hexanoylglycine +5.0066667
Hexanoylglycine
ME494294
-
-
5.0066667
-
Hexanoylglycine +5.238
Hexanoylglycine
ME495961
-
-
5.238
-
Hexanoylglycine +5.323
Hexanoylglycine
ME500337
-
-
5.323
-
Hexanoylglycine +5.537
Hexanoylglycine
ME500338
-
-
5.537
-
Hexazinone
-
ME495962
-
C10926
4.145
-
Hexazinone -3.738
-
ME500340
-
C10926
3.738
-
Hexazinone +4.037
-
ME500339
-
C10926
4.037
-
Hexestrol monomethyl ether
-
ME500341
-
C15454
3.998
-
Hexobarbitone
-
ME500342
-
C11723
3.677
-
Hexobarbitone +1.403
-
ME495963
-
C11723
1.403
-
Hexobarbitone +1.6183333
-
ME494295
-
C11723
1.6183333
-
Hexylamine
Hexylamine
ME500343
-
C08306
1.654
-
Hildgardtene
-
ME493393
-
-
5.94675
-
Hildgardtene +0.936
-
ME500344
-
-
0.936
-
Hildgardtene +5.122
-
ME500345
-
-
5.122
-
Hinokitiol glucoside
-
ME500346
-
C15451
6.425
-
Hippeastrine
-
ME491481
-
C08528
7.766556
-
Hippuristanolide
-
ME495964
-
-
6.897
-
Hippuristanolide -6.9550004
-
ME491955
-
-
6.9550004
-
Hippuristanolide -7.41
-
ME500347
-
-
7.41
-
His-Abu-OH
-
ME500371
-
-
3.888
-
His Ala
His-Ala
ME495965
-
-
1.3055
-
His Ala +0.923
His-Ala
ME500348
-
-
0.923
-
His Arg
His-Arg
ME500349
-
-
4.408
-
His Arg +3.532
His-Arg
ME500350
-
-
3.532
-
His Arg +4.8310003
His-Arg
ME495966
-
-
4.8310003
-
His Arg Ala
His-Arg-Ala
ME500351
-
-
4.685
-
His Arg Arg
His-Arg-Arg
ME494296
-
-
5.4753327
-
His Asn Met
His-Asn-Met
ME500352
-
-
7.634
-
His Asn Val
His-Asn-Val
ME495967
-
-
1.016
-
His Asp Thr
His-Asp-Thr
ME500353
-
-
1.012
-
His Asp Thr +1.009
His-Asp-Thr
ME500354
-
-
1.009
-
His Cys Arg
His-Cys-Arg
ME500355
-
-
6.924
-
His Cys Gln
His-Cys-Gln
ME493394
-
-
7.48275
-
His Gln
His-Gln
ME500356
-
-
5.6
-
His Gln Tyr
His-Gln-Tyr
ME500357
-
-
3.423
-
His Gly Pro
His-Gly-Pro
ME494297
-
-
0.9919999
-
His His
His-His
ME500358
-
-
3.568
-
His-HoPhe-OH
-
ME500372
-
-
3.414
-
His Ile Val
His-Ile-Val
ME500359
-
-
3.954
-
His Lys
His-Lys
ME500360
-
-
1.131
-
His Lys +1.6235
His-Lys
ME495968
-
-
1.6235
-
His Lys +3.159
His-Lys
ME500361
-
-
3.159
-
His Lys +4.715
His-Lys
ME500362
-
-
4.715
-
His Lys Cys
His-Lys-Cys
ME491956
-
-
6.607285
-
His Lys Met
His-Lys-Met
ME491482
-
-
6.221
-
His Lys Phe
His-Lys-Phe
ME500363
-
-
6.803
-
His Lys Pro
His-Lys-Pro
ME500364
-
-
8.093
-
His Met Gly
His-Met-Gly
ME500365
-
-
1.642
-
His Met Lys
His-Met-Lys
ME500366
-
-
9.709
-
His Met Phe
His-Met-Phe
ME491325
-
-
3.3278
-
His-Nap-OH
-
ME500373
-
-
5.495
-
His-Nap-OH -9.704
-
ME500374
-
-
9.704
-
His Phe Gly
His-Phe-Gly
ME500367
-
-
3.25
-
His Phe Gly +4.303
His-Phe-Gly
ME500368
-
-
4.303
-
His Pro
His-Pro
ME491046
-
-
3.988
-
His Pro +1.4
His-Pro
ME500369
-
-
1.4
-
His Pro +3.129
His-Pro
ME495969
-
-
3.129
-
His Pro +3.9575
His-Pro
ME495970
-
-
3.9575
-
His Pro Ala
His-Pro-Ala
ME495971
-
-
0.9935
-
Histamine
Histamine
ME493395
-
C00388
1.392
-
Histamine +0.8925
Histamine
ME495972
-
C00388
0.8925
-
His Thr
His-Thr
ME494298
-
-
3.3436668
-
His Thr +1.214
His-Thr
ME500370
-
-
1.214
-
Histidylleucine
His-Leu
ME500375
-
C05010
1.932
-
Histidylleucine +0.938
His-Leu
ME500376
-
C05010
0.938
-
Histidylleucine +3.716
His-Leu
ME500377
-
C05010
3.716
-
Histidylleucine +3.871
His-Leu
ME500378
-
C05010
3.871
-
Histidylproline diketopiperazine
-
ME491957
-
-
5.2741427
-
Histrionicotoxin
-
ME500379
-
C13683
4.941
-
His-Trp-OH
-
ME500380
-
-
3.03
-
HMMF
-
ME490941
-
C11488
0.93569225
-
HMMF -0.914
-
ME500381
-
C11488
0.914
-
Hodgkinsine
Hodgkinsine
ME500382
-
C09211
5.856
-
Homaline
Homaline
ME491958
-
C10599
6.3937144
-
Homaline +6.4829993
Homaline
ME491326
-
C10599
6.4829993
-
Homatropine
Homatropine
ME492299
-
C07814
7.4163327
-
Homatropine +4.822
Homatropine
ME500383
-
C07814
4.822
-
Homatropine -7.4
Homatropine
ME493396
-
C07814
7.4
-
Homoanserine
-
ME495973
-
-
3.5245
-
Homoanserine +0.9395
-
ME495974
-
-
0.9395
-
Homoanserine +3.526
-
ME500384
-
-
3.526
-
Homocysteinesulfinic acid
Homocysteinesulfinic acid
ME494299
-
-
1.066
-
Homocystine
Homocystine
ME500385
-
C01817
3.669
-
Homocystine +3.882
Homocystine
ME500386
-
C01817
3.882
-
Homocystine +4.068
Homocystine
ME500387
-
C01817
4.068
-
Homoglutamine
Homoglutamine
ME493397
-
-
1.0472499
-
Homoisocitrate
-
ME500388
-
C05662
1.067
-
Homovanillyl alcohol
-
ME500389
-
-
4.093
-
Homovanillyl alcohol +4.425
-
ME500390
-
-
4.425
-
HoPhe-Met-OH
-
ME494300
-
-
1.6336666
-
HQL-79
-
ME500391
-
-
8.112
-
Huperzine B
-
ME500392
-
C09866
4.441
-
Hycanthone
-
ME500393
-
D00541
0.944
-
Hycanthone +3.2405
-
ME495975
-
D00541
3.2405
-
Hycanthone +3.4334998
-
ME495976
-
D00541
3.4334998
-
Hydralazine
Hydralazine
ME500394
-
C07040
1.781
-
Hydralazine +3.164
Hydralazine
ME500395
-
C07040
3.164
-
Hydrocortisone butyrate propionate
Hydrocortisone butyrate propanoate
ME500396
-
C13358
8.995
-
Hydrocortisone butyrate propionate -10.588555
Hydrocortisone butyrate propanoate
ME491483
-
C13358
10.588555
-
Hydrocortisone butyrate propionate -9.232
Hydrocortisone butyrate propanoate
ME500397
-
C13358
9.232
-
Hydrocortisone butyrate propionate -9.7085
Hydrocortisone butyrate propanoate
ME495977
-
C13358
9.7085
-
Hydrocortisone cypionate
Hydrocortisone cypionate
ME500398
-
C08176
8.254
-
Hydromorphone-3-glucuronide
-
ME500399
-
-
4.527
-
Hydroxy-3-O-methyl-6?-naltrexol
-
ME495978
-
-
4.5485
-
Hydroxyanastrozole
-
ME500400
-
-
5.745
-
Hydroxyatrazine
-
ME491047
-
C06552
2.71575
-
Hydroxybupropion
Hydroxybupropion
ME500401
-
-
5.289
-
Hydroxybupropion +5.76
Hydroxybupropion
ME500402
-
-
5.76
-
Hydroxychloroquine
Hydroxychloroquine
ME500403
-
C07043
10.476
-
hydroxydoxepin M4
-
ME500404
-
-
3.882
-
?-hydroxy Farnesyl Phosphonic Acid
-
ME494678
-
-
7.651
-
Hydroxy-gamma-sanshool
-
ME500405
-
C17827
10.03
-
Hydroxyibuprofen
Hydroxyibuprofen
ME500406
-
-
1.401
-
Hydroxyibuprofen -9.537
Hydroxyibuprofen
ME500407
-
-
9.537
-
hydroxy-isocaproic acid
Hydroxyisocaproic acid
ME492300
-
-
4.023
-
hydroxy-isocaproic acid -5.235
Hydroxyisocaproic acid
ME500408
-
-
5.235
-
Hydroxymelphalan
-
ME500409
-
-
1.331
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME500410
-
C06455
0.914
-
Hydroxypentobarbital
-
ME494301
-
-
3.5323334
-
Hydroxypentobarbital +3.167
-
ME494302
-
-
3.167
-
Hydroxyphenoxyethylaminohydroxypropanol
-
ME493398
-
-
3.125
-
Hydroxyphenoxyethylaminohydroxypropanol +1.038
-
ME495979
-
-
1.038
-
Hydroxyphenoxyethylaminohydroxypropanol +3.3066666
-
ME494303
-
-
3.3066666
-
Hydroxyphenoxyethylaminohydroxypropanol +3.625
-
ME500411
-
-
3.625
-
Hydroxyphenoxyethylaminohydroxypropanol +3.6796665
-
ME494304
-
-
3.6796665
-
Hydroxyphenoxyethylaminohydroxypropanol +4.4709997
-
ME495980
-
-
4.4709997
-
Hydroxythiopental
-
ME494305
-
-
1.0026667
-
Hydroxythiopental +3.8225
-
ME495981
-
-
3.8225
-
Hydroxythiopental +4.1945
-
ME495982
-
-
4.1945
-
Hydroxytolbutamide
Hydroxy tolbutamide
ME500412
-
-
3.671
-
Hydroxyvernolide
-
ME500413
-
C09477
5.239
-
Hydroxyvernolide -5.224
-
ME500414
-
C09477
5.224
-
(-)-Hygroline
Hygroline
ME492936
-
C10152
4.17975
-
Hygromycin A
-
ME494306
-
C17579
3.6763334
-
Hymenoflorin
Hymenoflorin
ME490519
-
C09480
10.134939
-
Hymenoxon
Hymenoxon
ME494307
-
C09482
1.0273334
-
Hymenoxon +1.07
Hymenoxon
ME500415
-
C09482
1.07
-
Hymenoxon +1.231
Hymenoxon
ME500416
-
C09482
1.231
-
Hymexazol
-
ME500417
-
C11103
1.383
-
Hymexazol N-glucoside
-
ME495983
-
C11104
1.6110001
-
Hypoxanthine
Hypoxanthine
ME500418
-
C00262
1.387
-
IACI
IACI
ME500419
-
C11600
7.458
-
IACI -7.860334
IACI
ME494308
-
C11600
7.860334
-
IACI -8.2955
IACI
ME495984
-
C11600
8.2955
-
I-BOP
-
ME495985
-
-
10.93
-
(±)-Ibuprofen
Ibuprofen
ME493619
-
C01588
9.4523325
-
Ibutilide
Ibutilide
ME493399
-
C07753
7.1835
-
Ibutilide -7.76425
Ibutilide
ME493400
-
C07753
7.76425
-
Ibutilide -9.058666
Ibutilide
ME494309
-
C07753
9.058666
-
Icariside II
-
ME491959
-
-
5.0168567
-
Icariside II +5.166
-
ME492301
-
-
5.166
-
Icaritin 3-rhamnoside
Icaritin 3-rhamnoside
ME500420
-
-
7.796
-
Idanpramine
-
ME493401
-
C17728
6.99825
-
Idanpramine +5.93
-
ME500421
-
C17728
5.93
-
Idanpramine -7.0804996
-
ME495986
-
C17728
7.0804996
-
Idebenone
Idebenone
ME495987
-
-
3.637
-
Idebenone Metabolite (Benzenebutanoic acid, 2,5-di...
-
ME494310
-
-
4.9423337
-
Idebenone Metabolite (Benzenebutanoic acid, 2,5-di...
-
ME500423
-
-
5.104
-
Idebenone Metabolite (Benzenedecanoic acid, 2-hydr...
-
ME493402
-
-
3.57075
-
Idebenone Metabolite (Benzenehexanoic acid, 2,5-di...
-
ME500424
-
-
6.796
-
Idebenone Metabolite (Benzenehexanoic acid, 2,5-di...
-
ME500425
-
-
6.1
-
Idebenone Metabolite (?-D-Glucopyranosiduronic aci...
-
ME500422
-
-
3.432
-
Idebenone Metabolite (QS-10)
-
ME494311
-
-
1.1926666
-
I-Honaucin A
-
ME495988
-
-
4.697
-
Ile-Abu-OH
-
ME500446
-
-
4.66
-
Ile Arg Pro
Ile-Arg-Pro
ME500426
-
-
4.675
-
Ile Cys Pro
Ile-Cys-Pro
ME490520
-
-
8.760751
-
Ile Glu Arg
Ile-Glu-Arg
ME500427
-
-
3.167
-
Ile Gly Gly
Ile-Gly-Gly
ME500428
-
-
3.553
-
Ile Ile His
Ile-Ile-His
ME500429
-
-
4.616
-
Ile Ile His +4.758
Ile-Ile-His
ME500430
-
-
4.758
-
Ile Leu Glu
Ile-Leu-Glu
ME500431
-
-
5.388
-
Ile-lle-OH
-
ME500447
-
-
1.394
-
Ile Lys Met
Ile-Lys-Met
ME494312
-
-
9.232667
-
Ile Lys Met -10.589643
Ile-Lys-Met
ME490840
-
-
10.589643
-
Ile Lys Met -9.708
Ile-Lys-Met
ME492302
-
-
9.708
-
Ile Met
Ile-Met
ME500432
-
-
4.168
-
Ile Phe
Ile-Phe
ME495989
-
-
1.3955
-
Ile Phe +1.6285
Ile-Phe
ME495990
-
-
1.6285
-
Ile Phe +3.5885
Ile-Phe
ME495991
-
-
3.5885
-
Ile Phe +3.975
Ile-Phe
ME500433
-
-
3.975
-
Ile Phe +4.059
Ile-Phe
ME500434
-
-
4.059
-
Ile Phe +4.259
Ile-Phe
ME500435
-
-
4.259
-
Ile Phe +4.499
Ile-Phe
ME500436
-
-
4.499
-
Ile Phe +4.53
Ile-Phe
ME500437
-
-
4.53
-
Ile Phe +5.0833335
Ile-Phe
ME494313
-
-
5.0833335
-
Ile Phe -5.4075
Ile-Phe
ME492303
-
-
5.4075
-
Ile Pro Ala
Ile-Pro-Ala
ME500438
-
-
1.624
-
Ile Pro Ala +3.415
Ile-Pro-Ala
ME495992
-
-
3.415
-
Ile Pro Ala +3.967
Ile-Pro-Ala
ME500439
-
-
3.967
-
Ile Pro Ile
Ile-Pro-Ile
ME500440
-
-
5.03
-
Ile Ser Glu
Ile-Ser-Glu
ME500441
-
-
1.275
-
Ile Ser His
Ile-Ser-His
ME500442
-
-
1.63
-
Ile Tyr
Ile-Tyr
ME500443
-
-
4.424
-
Ile Val Asp
Ile-Val-Asp
ME491327
-
-
3.1526
-
Ile Val Gln
Ile-Val-Gln
ME500444
-
-
3.691
-
Ile Val Met
Ile-Val-Met
ME500445
-
-
5.601
-
Ilexolide A
Ilexolide A
ME490521
-
C08957
11.610375
-
(-)-Illudin M
-
ME494627
-
C09687
1.1475
-
(-)-Illudin M +5.608
-
ME496577
-
C09687
5.608
-
Imatinib
-
ME494314
-
-
7.7619996
-
Imazethapyr
-
ME500448
-
C18865
1.399
-
I-Methyl-4-nitro-5-thio-imidazole
-
ME500449
-
-
0.961
-
Imetit
Imetit
ME500450
-
C17931
1.099
-
Imetit +1.334
Imetit
ME495993
-
C17931
1.334
-
Imetit +1.62
Imetit
ME500451
-
C17931
1.62
-
Imibenconazole
-
ME495994
-
C18468
3.264
-
Imicyafos
-
ME500452
-
C18469
1.387
-
Imicyafos -3.93
-
ME500453
-
C18469
3.93
-
Imidazoleacetic acid
Imidazoleacetic acid
ME492304
-
C02835
3.4153335
-
Imidazoleacetic acid +1.0292857
Imidazoleacetic acid
ME491960
-
C02835
1.0292857
-
Imidazoleacetic acid -1.3876667
Imidazoleacetic acid
ME494315
-
C02835
1.3876667
-
Imidazoleacetic acid +2.5875
Imidazoleacetic acid
ME495995
-
C02835
2.5875
-
Imidazoleacetic acid -3.403
Imidazoleacetic acid
ME500455
-
C02835
3.403
-
Imidazoleacetic acid +3.411
Imidazoleacetic acid
ME500454
-
C02835
3.411
-
Immepip
-
ME500456
-
C17932
1.051
-
Indicaxanthin
Indicaxanthin
ME500457
-
C08549
3.064
-
Indicumenone
-
ME495996
-
C17612
3.5435
-
Indicumenone +5.181
-
ME500458
-
C17612
5.181
-
Indicumenone +5.1879997
-
ME495997
-
C17612
5.1879997
-
Indinavir
Indinavir
ME490522
-
C07051
11.592437
-
Indole-3-acetaldoxime N-oxide
Indole-3-acetaldoxime N-oxide
ME494316
-
C17204
5.691
-
Indole-3-acetaldoxime N-oxide +1.398
Indole-3-acetaldoxime N-oxide
ME500459
-
C17204
1.398
-
Indole-3-acetyl-myo-inositol
-
ME500460
-
C03868
0.963
-
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME500461
-
C08493
3.895
-
Indole-3-carboxaldehyde -5.1705
1H-Indole-3-carboxaldehyde
ME495998
-
C08493
5.1705
-
Indole-3-carboxaldehyde +5.640333
1H-Indole-3-carboxaldehyde
ME494317
-
C08493
5.640333
-
Indole-3-carboxaldehyde -6.2240005
1H-Indole-3-carboxaldehyde
ME492305
-
C08493
6.2240005
-
Ingenol 3,20-dibenzoate
Ingenol 3,20-dibenzoate
ME500462
-
C09113
6.902
-
Inosine
Inosine
ME500463
-
C00294
2.842
-
Integerrine
-
ME500464
-
C10007
6.644
-
Inuline
-
ME500465
-
C08659
8.042
-
Inumakilactone A glycoside
Inumakilactone A glycoside
ME495999
-
C09114
7.457
-
Inumakilactone A glycoside -7.86025
Inumakilactone A glycoside
ME493403
-
C09114
7.86025
-
Inumakilactone A glycoside +7.882
Inumakilactone A glycoside
ME500466
-
C09114
7.882
-
Inumakilactone A glycoside -8.255
Inumakilactone A glycoside
ME500468
-
C09114
8.255
-
Inumakilactone A glycoside -8.3377495
Inumakilactone A glycoside
ME493404
-
C09114
8.3377495
-
Inumakilactone A glycoside +8.35
Inumakilactone A glycoside
ME500467
-
C09114
8.35
-
Iopodic acid
-
ME494318
-
C18093
0.884
-
Iopodic acid -0.873
-
ME500469
-
C18093
0.873
-
Ipazine
-
ME493405
-
C19103
3.0774999
-
Ipconazole
-
ME500470
-
C18471
4.093
-
Ipecac (Psychotrine)
Psychotrine
ME500471
-
C09612
5.923
-
Ipecoside
-
ME500472
-
C09464
1.396
-
Ipratropium
Ipratropium
ME500473
-
C07052
4.682
-
Ipriflavone
-
ME500474
-
D01338
3.004
-
Iprobenfos
Iprobenfos
ME496000
-
C15230
1.143
-
Iprovalicarb
-
ME492776
-
C18866
7.9040003
-
Iprovalicarb +4.973
-
ME500475
-
C18866
4.973
-
Isatidine
-
ME500476
-
C10333
3.461
-
Isatin
-
ME500477
-
C11129
3.898
-
Ismine
-
ME500478
-
C12181
4.062
-
Isobenzan
-
ME496001
-
C18960
5.524
-
Isobenzan -0.884
-
ME496002
-
C18960
0.884
-
Isobutylmethylxanthine
-
ME494319
-
-
3.0983334
-
Isobutylmethylxanthine +3.1845
-
ME496003
-
-
3.1845
-
Isobutylmethylxanthine +3.296
-
ME496004
-
-
3.296
-
Isobutylmethylxanthine +3.524
-
ME500479
-
-
3.524
-
Isobutylmethylxanthine +4.05
-
ME500480
-
-
4.05
-
Isobutylmethylxanthine +4.3500004
-
ME496005
-
-
4.3500004
-
Isobutyrylglycine
Isobutyrylglycine
ME500481
-
-
3.027
-
Isocaespitol
-
ME491961
-
C17112
5.029286
-
Isocarbamid
Isocarbamid
ME500482
-
C19047
2.544
-
iso-Debromo-laurinterol
-
ME491328
-
-
1.2555001
-
iso-Debromo-laurinterol +3.054
-
ME500483
-
-
3.054
-
iso-Debromo-laurinterol +3.834
-
ME496006
-
-
3.834
-
iso-Debromo-laurinterol +4.8442
-
ME492777
-
-
4.8442
-
Isodomoic acid A
-
ME492778
-
C20027
5.9966
-
Isodomoic acid A +1.402
-
ME500484
-
C20027
1.402
-
Isodomoic acid A +1.621
-
ME500485
-
C20027
1.621
-
Isodomoic acid A +3.429
-
ME500486
-
C20027
3.429
-
Isodomoic acid A +3.7535
-
ME496007
-
C20027
3.7535
-
Isodomoic acid A -5.9810004
-
ME493406
-
C20027
5.9810004
-
Isodomoic acid A -6.0773335
-
ME494320
-
C20027
6.0773335
-
Isodomoic acid A +6.092799
-
ME492779
-
C20027
6.092799
-
Isoeugenol
-
ME496008
-
C10469
5.3999996
-
Isoferreirin
-
ME500487
-
-
4.349
-
Isoferulic acid
Isoferulic acid
ME492780
-
C10470
3.6348
-
Isoferulic acid -3.6185
Isoferulic acid
ME492306
-
C10470
3.6185
-
Isoguanosine
Crotonoside
ME491707
-
C08432
2.988125
-
Isoguanosine +2.8835
Crotonoside
ME493407
-
C08432
2.8835
-
Isoguanosine +2.9265
Crotonoside
ME496009
-
C08432
2.9265
-
Isoguvacine
-
ME492307
-
C13694
1.6366667
-
Isoguvacine +1.1
-
ME500488
-
C13694
1.1
-
Isonicotineamide
-
ME494321
-
C02421
1.1256667
-
Isonicotineamide +1.3603334
-
ME494322
-
C02421
1.3603334
-
Isopentenyladenine-9-N-glucoside
-
ME496010
-
-
4.9915
-
Isopentenyl adenosine
N6-Isopentenyladenosine
ME493408
-
C16427
1.3965001
-
Isoprene
Isoprene
ME500489
-
C16521
1.427
-
Isopropalin
-
ME496011
-
C19063
1.397
-
Isopropalin +4.592
-
ME500490
-
C19063
4.592
-
Isopropenylacetic acid
Isopropenylacetic acid
ME490717
-
-
11.009533
-
Isopropenylacetic acid +1.3870001
Isopropenylacetic acid
ME496012
-
-
1.3870001
-
Isopropenylacetic acid +3.2966669
Isopropenylacetic acid
ME494323
-
-
3.2966669
-
Isopropenylacetic acid -4.0973334
Isopropenylacetic acid
ME494324
-
-
4.0973334
-
Isoproturon
-
ME496013
-
C11005
4.5225
-
Isoquinoline N-oxide
-
ME500491
-
-
3.906
-
Isoquinoline N-oxide +5.183
-
ME500492
-
-
5.183
-
Isoquinoline N-oxide +6.2325
-
ME496014
-
-
6.2325
-
Isorhamnetin 3-gentiotrioside
-
ME500493
-
-
1.607
-
Isorhamnetin 3-gentiotrioside-7-glucoside
-
ME494325
-
-
0.891
-
Isosakuranetin 5-O-glucoside
-
ME490523
-
-
8.475124
-
Isoscutellarein 7,8-dimethyl ether
-
ME500494
-
-
6.406
-
Isoshinanolone
-
ME500495
-
C12343
3.773
-
Isouron
-
ME500496
-
C18432
0.945
-
Isouron +1.211
-
ME500497
-
C18432
1.211
-
Isouron +2.042
-
ME500498
-
C18432
2.042
-
Isouron +2.2705
-
ME496015
-
C18432
2.2705
-
Isouron +2.398
-
ME496016
-
C18432
2.398
-
Isoxaben
-
ME496017
-
C18504
4.9
-
Isoxaben +5.003
-
ME496018
-
C18504
5.003
-
Isoxaben +5.224
-
ME500499
-
C18504
5.224
-
isoxsuprine
-
ME493409
-
-
8.358251
-
Istamycin A2
-
ME500500
-
C17988
6.573
-
Istamycin AO
-
ME490524
-
C17982
5.633312
-
Istamycin AO +5.4799995
-
ME491962
-
C17982
5.4799995
-
Istamycin AO +5.789
-
ME491484
-
C17982
5.789
-
Istamycin C
-
ME493410
-
C17995
7.056
-
Istamycin C1
-
ME492308
-
C17996
5.002
-
IU1
-
ME500501
-
-
1.402
-
I-Urobilin
-
ME491048
-
C05794
6.9002495
-
I-Urobilin +11.776668
-
ME492309
-
C05794
11.776668
-
I-Urobilin +11.865
-
ME493411
-
C05794
11.865
-
I-Urobilin +11.907666
-
ME492310
-
C05794
11.907666
-
I-Urobilin +11.986751
-
ME491708
-
C05794
11.986751
-
I-Urobilin -6.3245997
-
ME492782
-
C05794
6.3245997
-
I-Urobilin +6.705
-
ME500502
-
C05794
6.705
-
I-Urobilin +6.904
-
ME500503
-
C05794
6.904
-
I-Urobilin +6.974125
-
ME490525
-
C05794
6.974125
-
I-Urobilin +7.2746
-
ME492781
-
C05794
7.2746
-
I-Urobilin +7.474
-
ME500504
-
C05794
7.474
-
I-Urobilin +7.7826667
-
ME494326
-
C05794
7.7826667
-
I-Urobilin +8.309
-
ME496019
-
C05794
8.309
-
I-Urobilin +8.414
-
ME500505
-
C05794
8.414
-
I-Urobilin +8.77125
-
ME493412
-
C05794
8.77125
-
I-Urobilin +8.945572
-
ME491963
-
C05794
8.945572
-
I-Urobilin +9.094
-
ME493413
-
C05794
9.094
-
I-Urobilin +9.125
-
ME500506
-
C05794
9.125
-
I-Urobilin +9.218
-
ME500507
-
C05794
9.218
-
I-Urobilin +9.242
-
ME491709
-
C05794
9.242
-
Ivermectin B1a
-
ME490718
-
C07970
11.6830015
-
Ivermectin B1a +11.685
-
ME500508
-
C07970
11.685
-
Ivermectin B1a +11.733
-
ME490841
-
C07970
11.733
-
Ivermectin B1a +11.734666
-
ME494327
-
C07970
11.734666
-
Ivermectin B1a -7.784
-
ME500509
-
C07970
7.784
-
Ivermectin B1b
-
ME493414
-
C07970
9.8905
-
Ivermectin B1b -9.887
-
ME500510
-
C07970
9.887
-
Jamaicin
-
ME500511
-
-
1.084
-
Janex-1
-
ME500512
-
-
4.052
-
Janex-1 +3.264
-
ME496020
-
-
3.264
-
JNJ-10198409
-
ME500513
-
-
0.987
-
(-)-Jolkinol A
-
ME494628
-
-
9.882
-
Juvabione
Juvabione
ME494328
-
C09693
3.6483335
-
Juvabione +1.3946667
Juvabione
ME494329
-
C09693
1.3946667
-
Juvabione +3.8894
Juvabione
ME492783
-
C09693
3.8894
-
Juvabione +7.979
Juvabione
ME500514
-
C09693
7.979
-
JWH 007
-
ME496021
-
-
4.2105
-
JWH 018 2-hydroxyindole metabolite
-
ME496022
-
-
5.2345
-
JWH 018 N-(5-hydroxypentyl) metabolite
-
ME500515
-
-
1.403
-
JWH 073 2-hydroxyindole
-
ME500516
-
-
5.996
-
JWH 073 3-methylbutyl homolog
-
ME494330
-
-
1.627
-
JWH 200
-
ME500517
-
-
3.684
-
JWH 210
-
ME500518
-
-
6.294
-
JZL 184
-
ME500519
-
-
3.086
-
Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinob...
-
ME500522
-
-
0.894
-
Kaempferol 3-(3'',4''-diacetylrhamnoside)
-
ME500520
-
-
4.8
-
Kaempferol 3,5,7-trimethyl ether
-
ME493415
-
-
5.76425
-
Kaempferol 3,5,7-trimethyl ether -6.0085
-
ME493416
-
-
6.0085
-
Kaempferol 3,5,7-trimethyl ether -7.186
-
ME500521
-
-
7.186
-
Kaempferol 3-glucuronide-7-glucoside
-
ME496023
-
-
6.764
-
Kalihinol A
-
ME494331
-
C17004
6.022333
-
Kalihinol A +6.1174
-
ME492784
-
C17004
6.1174
-
Kalkitoxin
-
ME496024
-
-
13.4295
-
Kanakugiol
-
ME493417
-
-
3.904
-
Kanakugiol +3.476
-
ME500523
-
-
3.476
-
Kanamycin
Kanamycin
ME496025
-
C01822
7.1825
-
Kanamycin -7.76425
Kanamycin
ME493418
-
C01822
7.76425
-
Kanamycin -8.1975
Kanamycin
ME496026
-
C01822
8.1975
-
Kanamycin -9.062333
Kanamycin
ME494332
-
C01822
9.062333
-
Kanamycin A 3'-phosphate
-
ME496027
-
C03281
1.6225
-
Kanokoside A
-
ME500524
-
C17428
6.789
-
Kanokoside A +1.6393334
-
ME494333
-
C17428
1.6393334
-
Kanokoside C
-
ME496028
-
C17430
1.6275
-
Kanokoside D
-
ME500525
-
C17431
6.944
-
Kanokoside D +6.9484
-
ME492785
-
C17431
6.9484
-
(-)-Kanshone A
-
ME491085
-
-
10.704818
-
(-)-Kanshone A +10.676333
-
ME493613
-
-
10.676333
-
(-)-Kanshone A +10.746
-
ME494629
-
-
10.746
-
(-)-Kanshone A +4.4560003
-
ME494630
-
-
4.4560003
-
(-)-Kanshone A +9.919
-
ME496578
-
-
9.919
-
Karbutilate
-
ME500526
-
C18433
1.629
-
Karbutilate +4.819
-
ME500527
-
C18433
4.819
-
Karwinaphthol B
Karwinaphthol B
ME500528
-
C09942
3.218
-
Karwinaphthol B +1.616
Karwinaphthol B
ME500529
-
C09942
1.616
-
Karwinaphthol B -9.907
Karwinaphthol B
ME500530
-
C09942
9.907
-
Ketanserinol
-
ME500531
-
-
4.455
-
Ketorolac
Ketorolac
ME494334
-
C07062
4.951667
-
Ketorolac glucuronide
-
ME500532
-
-
3.678
-
Khellin
Khellin
ME494335
-
C09010
6.595333
-
Khellol glucoside
-
ME496029
-
C09011
0.95449996
-
Kinetin Riboside
-
ME496030
-
-
3.184
-
Kinetin Riboside +1.005
-
ME494336
-
-
1.005
-
Kinetin Riboside +1.38
-
ME500533
-
-
1.38
-
Kinetin Riboside -3.062
-
ME500534
-
-
3.062
-
Kni 102
-
ME496031
-
C15654
9.068001
-
Kni 102 -6.9314003
-
ME492786
-
C15654
6.9314003
-
Kni 102 -9.107
-
ME500535
-
C15654
9.107
-
Kni 102 -9.201
-
ME500536
-
C15654
9.201
-
Kni 102 -9.23575
-
ME493419
-
C15654
9.23575
-
Kuhlmanniquinol
-
ME491710
-
-
5.975375
-
Kukoamine D
-
ME490942
-
C17618
7.011846
-
Kukoamine D +4.0275
-
ME496032
-
C17618
4.0275
-
Kukoamine D +6.202714
-
ME491964
-
C17618
6.202714
-
Kukoamine D +6.211
-
ME500537
-
C17618
6.211
-
Kurilensoside F
-
ME500538
-
-
12.06
-
Kurilensoside G
-
ME500539
-
-
6.631
-
Kurilensoside J
-
ME500540
-
-
0.891
-
Kushenol V
-
ME500541
-
-
4.364
-
Kushenol V +4.619
-
ME500542
-
-
4.619
-
Kushenol V +5.341
-
ME500543
-
-
5.341
-
Kuwanol D
-
ME490526
-
-
11.427374
-
Kuwanol D -11.537001
-
ME496033
-
-
11.537001
-
Kuwanol D -11.650625
-
ME490527
-
-
11.650625
-
Kuwanone H
-
ME500544
-
C10100
6.944
-
L-2-Aminoadipate adenylate
-
ME500545
-
C05560
5.601
-
l-2-hydroxy-decanoic acid
-
ME490943
-
-
5.1388454
-
l-2-hydroxy-decanoic acid +4.8015003
-
ME492311
-
-
4.8015003
-
l-2-hydroxy-decanoic acid +5.096
-
ME500546
-
-
5.096
-
l-2-hydroxy-decanoic acid -8.111
-
ME500547
-
-
8.111
-
L-2-Methyltryptophan
-
ME500548
-
C16831
2.414
-
L-365260
-
ME500549
-
C15026
6.665
-
L-365260 -6.8895006
-
ME493420
-
C15026
6.8895006
-
L-365260 -7.232
-
ME496034
-
C15026
7.232
-
L-365260 -7.323
-
ME496035
-
C15026
7.323
-
LacCer(d18:1/18:1(9Z))
LacCer d18:1/18:1(9Z)*
ME496036
-
-
0.8785
-
Lacidipine
-
ME490528
-
-
10.134625
-
Lacidipine +10.554
-
ME500550
-
-
10.554
-
Lacidipine +6.058
-
ME500551
-
-
6.058
-
Lacidipine +6.122
-
ME500552
-
-
6.122
-
Lacidipine +6.424
-
ME500553
-
-
6.424
-
Lactaroviolin
Lactaroviolin
ME492787
-
C09696
1.3964
-
Lactaroviolin +11.346201
Lactaroviolin
ME492788
-
C09696
11.346201
-
Lactaroviolin +1.395
Lactaroviolin
ME500554
-
C09696
1.395
-
Lactitol
Lactitol
ME496037
-
-
1.395
-
Lactobionic acid
Lactobionic acid
ME496038
-
-
5.6025
-
L-Adrenaline
Epinephrine
ME500555
-
C00788
3.709
-
L-Adrenaline +1.394
Epinephrine
ME500556
-
C00788
1.394
-
L-Adrenaline +1.395
Epinephrine
ME500557
-
C00788
1.395
-
L-Adrenaline +4.281
Epinephrine
ME496039
-
C00788
4.281
-
L-Adrenaline +5.202
Epinephrine
ME500558
-
C00788
5.202
-
L-Adrenaline +5.244
Epinephrine
ME500559
-
C00788
5.244
-
L-Alanine, N-propyl-
-
ME490719
-
-
1.0376667
-
L-Alanine, N-propyl- +1.1217144
-
ME491965
-
-
1.1217144
-
L-Alanine, N-propyl- +1.3926667
-
ME492312
-
-
1.3926667
-
L-Alanine, N-propyl- +1.9420003
-
ME491049
-
-
1.9420003
-
L-Alanine, N-propyl- -1.9511999
-
ME492789
-
-
1.9511999
-
L-Alanine, N-propyl- -1.9890001
-
ME496040
-
-
1.9890001
-
L-Alanine, N-propyl- +2.0010004
-
ME490944
-
-
2.0010004
-
L-Alanine, N-propyl- -2.2551665
-
ME492313
-
-
2.2551665
-
L-Alanine, N-propyl- +2.2664669
-
ME490720
-
-
2.2664669
-
L-Alanine, N-propyl- -2.274
-
ME500560
-
-
2.274
-
L-Alanine, N-propyl- +3.626727
-
ME491164
-
-
3.626727
-
L-Alaninol
-
ME500561
-
-
1.016
-
L-Alaninol +3.328
-
ME500562
-
-
3.328
-
L-alpha-Acetyl-N,N-dinormethadol
-
ME500563
-
C16662
3.438
-
L-alpha-glutamyl-L-hydroxyproline
-
ME500564
-
-
3.373
-
lambda Isostearic acid
-
ME490529
-
-
14.089187
-
lambda Isostearic acid -13.719
-
ME492790
-
-
13.719
-
lambda Isostearic acid -14.18075
-
ME493421
-
-
14.18075
-
Lanceotoxin A
Lanceotoxin A
ME500565
-
C08872
8.828
-
Lanceotoxin A -8.815
Lanceotoxin A
ME500567
-
C08872
8.815
-
Lanceotoxin A -8.984
Lanceotoxin A
ME500568
-
C08872
8.984
-
Lanceotoxin A +8.993
Lanceotoxin A
ME500566
-
C08872
8.993
-
Lanceotoxin B
-
ME500569
-
C08873
7.38
-
Lanceotoxin B -6.664
-
ME500572
-
C08873
6.664
-
Lanceotoxin B -6.734
-
ME500573
-
C08873
6.734
-
Lanceotoxin B +6.865
-
ME500570
-
C08873
6.865
-
Lanceotoxin B +7.138
-
ME500571
-
C08873
7.138
-
Lappaol A
-
ME496041
-
C17684
9.88
-
Lappaol C
-
ME494337
-
C17686
3.4363334
-
Lappaol C +3.527
-
ME496042
-
C17686
3.527
-
Lappaol C +3.5609999
-
ME496043
-
C17686
3.5609999
-
L-Arginine phosphate
Arginine phosphate
ME494338
-
C05945
1.6036667
-
L-Arginine phosphate -3.426
Arginine phosphate
ME500574
-
C05945
3.426
-
L-Arginine phosphate -3.7166
Arginine phosphate
ME492791
-
C05945
3.7166
-
L-Arginine phosphate +5.2795
Arginine phosphate
ME496044
-
C05945
5.2795
-
L-Arogenate
Arogenic acid
ME492792
-
C00826
1.3446
-
Laserpitin
Laserpitin
ME500575
-
C09697
6.168
-
Laserpitin +5.646
Laserpitin
ME500576
-
C09697
5.646
-
Laserpitin +6.225
Laserpitin
ME500577
-
C09697
6.225
-
Laserpitin +6.633
Laserpitin
ME500578
-
C09697
6.633
-
Laserpitin +6.972
Laserpitin
ME500579
-
C09697
6.972
-
L-Asp(4-L-Arg)
-
ME500580
-
C19843
0.93
-
L-Asp(4-L-Arg) +3.621
-
ME500581
-
C19843
3.621
-
L-Asparagine
Asparagine
ME500582
-
C00152
0.915
-
Latrunculin B
-
ME500583
-
C19904
1.393
-
Laurencione diacetate
-
ME500584
-
-
1.031
-
Laurencione diacetate +1.413
-
ME500585
-
-
1.413
-
Laurencione diacetate -1.7315
-
ME496045
-
-
1.7315
-
Laurencione diacetate -1.7865
-
ME496046
-
-
1.7865
-
Laurencione diacetate +3.838
-
ME500586
-
-
3.838
-
Lauroylcarnitine
CAR 12:0
ME493422
-
-
12.13625
-
Lauroylcarnitine +12.151
CAR 12:0
ME500587
-
-
12.151
-
Lauroyl-CoA
Lauroyl-CoA
ME494339
-
C01832
0.89299995
-
Lauryl hydrogen sulfate
Dopamine
ME490530
-
C11166
9.904689
-
Laxiflorin
-
ME500588
-
-
1.394
-
L-Dopa
DOPA
ME493423
-
C00355
1.259
-
L-Dopa +2.001
DOPA
ME500589
-
C00355
2.001
-
Lecanoric acid
Lecanoric acid
ME500590
-
C02868
0.945
-
Lentiginosine
Lentiginosine
ME500591
-
C10155
1.204
-
Lentiginosine +0.974
Lentiginosine
ME500592
-
C10155
0.974
-
Lentiginosine +1.4033333
Lentiginosine
ME492314
-
C10155
1.4033333
-
Lentiginosine +1.4363333
Lentiginosine
ME494340
-
C10155
1.4363333
-
Lentiginosine +1.6305
Lentiginosine
ME493424
-
C10155
1.6305
-
Lentiginosine +4.3164997
Lentiginosine
ME496047
-
C10155
4.3164997
-
Lentiginosine +4.9998336
Lentiginosine
ME492315
-
C10155
4.9998336
-
Lentiginosine +5.01
Lentiginosine
ME500593
-
C10155
5.01
-
Leontiformine
Leontiformine
ME500594
-
C10771
3.89
-
Leonuridine
-
ME500595
-
C17011
1.619
-
Leonuridine +1.399
-
ME500596
-
C17011
1.399
-
Leonurine
-
ME500597
-
C16985
3.156
-
Lepidissipyrone
-
ME500598
-
-
1.375
-
Leptophos
Leptophos
ME491329
-
C19003
0.9028001
-
Leptophos +0.8833334
Leptophos
ME494341
-
C19003
0.8833334
-
Lespedezaflavanone G
-
ME500599
-
-
5.635
-
Letrozole
-
ME500600
-
C08163
5.631
-
Letrozole +4.735
-
ME500601
-
C08163
4.735
-
Leu Ala
Leu-Ala
ME491165
-
-
0.9389091
-
Leu Ala +1.3920001
Leu-Ala
ME492316
-
-
1.3920001
-
Leu Ala +1.6496668
Leu-Ala
ME494342
-
-
1.6496668
-
Leu Ala +3.163
Leu-Ala
ME492793
-
-
3.163
-
Leu Ala +3.269
Leu-Ala
ME496048
-
-
3.269
-
Leu Ala -3.6075
Leu-Ala
ME496050
-
-
3.6075
-
Leu Ala +3.617667
Leu-Ala
ME492317
-
-
3.617667
-
Leu Ala +3.812
Leu-Ala
ME496049
-
-
3.812
-
Leu Ala +5.353
Leu-Ala
ME493425
-
-
5.353
-
Leu Ala Glu
Leu-Ala-Glu
ME500602
-
-
3.494
-
Leu Ala Glu +3.618
Leu-Ala-Glu
ME500603
-
-
3.618
-
Leu Ala Glu +3.837
Leu-Ala-Glu
ME500604
-
-
3.837
-
Leu Ala Glu +4.138
Leu-Ala-Glu
ME500605
-
-
4.138
-
Leu Ala His
Leu-Ala-His
ME500606
-
-
3.223
-
Leu Ala His +1.392
Leu-Ala-His
ME500607
-
-
1.392
-
Leu Ala His +1.3924999
Leu-Ala-His
ME496051
-
-
1.3924999
-
Leu Ala His +5.233
Leu-Ala-His
ME500608
-
-
5.233
-
Leu Ala His +6.52
Leu-Ala-His
ME496052
-
-
6.52
-
Leu Arg Glu
Leu-Arg-Glu
ME500609
-
-
3.07
-
Leu Asp
Leu-Asp
ME500610
-
-
2.486
-
Leu Asp -1.3889999
Leu-Asp
ME496053
-
-
1.3889999
-
Leu Asp +1.625
Leu-Asp
ME500611
-
-
1.625
-
Leu Asp +3.69
Leu-Asp
ME500612
-
-
3.69
-
Leu Asp -3.8285
Leu-Asp
ME496054
-
-
3.8285
-
Leu Asp +4.342
Leu-Asp
ME500613
-
-
4.342
-
Leu Asp Ala
Leu-Asp-Ala
ME500614
-
-
0.939
-
Leu Asp Glu
Leu-Asp-Glu
ME496055
-
-
0.9345
-
Leucodelphinidin 3-O-alpha-L-rhamnopyranoside
-
ME496057
-
-
9.9995
-
Leucodelphinidin 4-O-[2,4-bisgalloyl-6-(3-galloylg...
-
ME500642
-
-
0.893
-
Leucomethylene blue (Reduced Methylene Blue)
-
ME500643
-
C05721
5.334
-
Leucomethylene blue (Reduced Methylene Blue) +5.76...
-
ME500644
-
C05721
5.768
-
Leucomycin A1
Leucomycin A1
ME494343
-
C14056
0.8863334
-
Leucomycin A3
-
ME500645
-
C12662
0.886
-
Leucomycin A5
Leucomycin A5
ME500646
-
C14058
0.891
-
Leucomycin A7
Leucomycin A7
ME500647
-
C14060
0.889
-
Leucomycin V
Leucomycin V
ME496058
-
C13103
6.7
-
Leucyl-leucine
Leu-Leu
ME491966
-
C11332
4.6015716
-
Leucyl-leucine -4.588
Leu-Leu
ME496060
-
C11332
4.588
-
Leucyl-leucine -4.757
Leu-Leu
ME496061
-
C11332
4.757
-
Leucyl-leucine +4.770833
Leu-Leu
ME492318
-
C11332
4.770833
-
Leucyl-leucine -4.849
Leu-Leu
ME500648
-
C11332
4.849
-
Leucyl-leucine +5.033
Leu-Leu
ME496059
-
C11332
5.033
-
Leu Glu Leu
Leu-Glu-Leu
ME500615
-
-
5.407
-
Leu Glu Thr
Leu-Glu-Thr
ME500616
-
-
4.649
-
Leu Gly
Leu-Gly
ME500617
-
-
1.033
-
Leu His Thr
Leu-His-Thr
ME500618
-
-
5.554
-
Leu Ile Asp
Leu-Ile-Asp
ME500619
-
-
3.713
-
Leu Ile Asp +3.936
Leu-Ile-Asp
ME500620
-
-
3.936
-
Leu Ile Asp +4.666
Leu-Ile-Asp
ME500621
-
-
4.666
-
Leu Ile Asp -4.741
Leu-Ile-Asp
ME500623
-
-
4.741
-
Leu Ile Asp +4.758
Leu-Ile-Asp
ME500622
-
-
4.758
-
Leukotriene D4 methyl ester
-
ME500649
-
-
4.408
-
Leukotriene E3
-
ME494344
-
-
3.4356668
-
Leukotriene E3 -6.533
-
ME500650
-
-
6.533
-
Leukotriene E4 methyl ester
-
ME500651
-
-
7.497
-
Leukotriene E4 methyl ester +7.804
-
ME500652
-
-
7.804
-
Leukotriene F4
LTF4
ME496062
-
C06462
9.066
-
Leukotriene F4 -6.9280005
LTF4
ME496063
-
C06462
6.9280005
-
Leukotriene F4 -9.102
LTF4
ME500653
-
C06462
9.102
-
Leukotriene F4 -9.199
LTF4
ME500654
-
C06462
9.199
-
Leukotriene F4 -9.235
LTF4
ME496064
-
C06462
9.235
-
Leu Lys Leu
Leu-Lys-Leu
ME500624
-
-
3.453
-
Leu Lys Leu +3.628
Leu-Lys-Leu
ME500625
-
-
3.628
-
Leu Phe Arg
Leu-Phe-Arg
ME500626
-
-
6.642
-
Leu Phe Arg -6.807
Leu-Phe-Arg
ME500627
-
-
6.807
-
Leu Phe Arg -7.286
Leu-Phe-Arg
ME500628
-
-
7.286
-
Leuprolide
-
ME500655
-
C08189
6.938
-
Leuprolide -9.186
-
ME500656
-
C08189
9.186
-
Leu Pro Phe
Leu-Pro-Phe
ME500629
-
-
4.966
-
Leu Ser Gln
Leu-Ser-Gln
ME500630
-
-
3.664
-
Leu Thr Ala
Leu-Thr-Ala
ME500631
-
-
3.564
-
Leu Thr Ala -3.71
Leu-Thr-Ala
ME500632
-
-
3.71
-
Leu Thr Pro
Leu-Thr-Pro
ME500633
-
-
4.496
-
Leu Thr Thr
Leu-Thr-Thr
ME500634
-
-
3.527
-
Leu Thr Thr -3.521
Leu-Thr-Thr
ME500636
-
-
3.521
-
Leu Thr Thr +3.661
Leu-Thr-Thr
ME500635
-
-
3.661
-
Leu Thr Thr -9.453813
Leu-Thr-Thr
ME490531
-
-
9.453813
-
Leu Thr Trp
Leu-Thr-Trp
ME500637
-
-
7.806
-
Leu Val Gly
Leu-Val-Gly
ME496056
-
-
3.5495
-
Leu Val Gly -3.652
Leu-Val-Gly
ME500640
-
-
3.652
-
Leu Val Gly +4.696
Leu-Val-Gly
ME500638
-
-
4.696
-
Leu Val Gly +4.781
Leu-Val-Gly
ME500639
-
-
4.781
-
Leu Val His
Leu-Val-His
ME500641
-
-
3.287
-
Levetiracetam
Levetiracetam
ME494345
-
C07841
1.3943334
-
Levetiracetam +1.071
Levetiracetam
ME500657
-
C07841
1.071
-
Levetiracetam +3.52
Levetiracetam
ME500658
-
C07841
3.52
-
Levetiracetam +3.8545
Levetiracetam
ME496065
-
C07841
3.8545
-
Levoamine (Chloramphenicol D base)
-
ME494346
-
-
1.3943334
-
Levoamine (Chloramphenicol D base) -3.223
-
ME500659
-
-
3.223
-
Levofloxacin
Ofloxacin
ME500660
-
C07660
1.64
-
Levofuraltadone
-
ME494347
-
C19267
1.6546665
-
Levofuraltadone +1.186
-
ME500661
-
C19267
1.186
-
Levofuraltadone +1.362
-
ME496066
-
C19267
1.362
-
Levofuraltadone +1.618
-
ME500662
-
C19267
1.618
-
Lewis a trisaccharide
Lewis a trisaccharide
ME500663
-
-
1.39
-
Lewis a trisaccharide -1.616
Lewis a trisaccharide
ME500664
-
-
1.616
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME493426
-
-
0.94025
-
L-gamma-glutamyl-L-isoleucine +3.1086
gamma-Glutamylisoleucine
ME492794
-
-
3.1086
-
L-gamma-glutamyl-L-isoleucine +3.709
gamma-Glutamylisoleucine
ME491330
-
-
3.709
-
L-gamma-glutamyl-L-isoleucine -3.8625
gamma-Glutamylisoleucine
ME496067
-
-
3.8625
-
L-gamma-glutamyl-L-isoleucine +3.8785
gamma-Glutamylisoleucine
ME493427
-
-
3.8785
-
L-gamma-glutamyl-L-valine
gamma-Glutamylvaline
ME491485
-
-
1.3873334
-
L-Glutamic acid dibutyl ester
-
ME494348
-
-
1.0743333
-
L-Glutamic acid n-butyl ester
-
ME496068
-
-
0.853
-
L-Glutamic acid n-butyl ester +1.1405001
-
ME496069
-
-
1.1405001
-
L-glycyl-L-hydroxyproline
L-Glycyl-L-hydroxyproline
ME493428
-
-
1.033
-
L-Histidinal
Histidinal
ME496070
-
C01929
3.1799998
-
L-Histidine
Histidine
ME490721
-
C00135
0.9126667
-
L-Histidine +1.503
Histidine
ME500665
-
C00135
1.503
-
L-Histidinol
L-Histidinol
ME492795
-
C00860
2.771
-
L-Histidinol -1.356
L-Histidinol
ME500666
-
C00860
1.356
-
L-Homotyrosine
Homotyrosine
ME491050
-
C18622
1.38125
-
L-Homotyrosine -10.097188
Homotyrosine
ME490532
-
C18622
10.097188
-
L-Homotyrosine -10.2
Homotyrosine
ME496073
-
C18622
10.2
-
L-Homotyrosine +1.177
Homotyrosine
ME500667
-
C18622
1.177
-
L-Homotyrosine +1.6335
Homotyrosine
ME491711
-
C18622
1.6335
-
L-Homotyrosine +2.433
Homotyrosine
ME500668
-
C18622
2.433
-
L-Homotyrosine +3.0435712
Homotyrosine
ME491967
-
C18622
3.0435712
-
L-Homotyrosine +3.1486
Homotyrosine
ME492796
-
C18622
3.1486
-
L-Homotyrosine +3.2015
Homotyrosine
ME496071
-
C18622
3.2015
-
L-Homotyrosine +3.38
Homotyrosine
ME500669
-
C18622
3.38
-
L-Homotyrosine +3.6599998
Homotyrosine
ME496072
-
C18622
3.6599998
-
L-Homotyrosine -4.158
Homotyrosine
ME500671
-
C18622
4.158
-
L-Homotyrosine +4.17
Homotyrosine
ME500670
-
C18622
4.17
-
Licarin A
-
ME500672
-
C10650
1.403
-
Licorice glycoside D2
-
ME500673
-
-
6.9
-
Licoricidin
Licoricidin
ME500674
-
C16986
3.426
-
L-Iditol
L-Iditol
ME500675
-
C01507
1.397
-
L-Iditol +1.397
L-Iditol
ME500676
-
C01507
1.397
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME491166
-
C07271
10.210273
-
Limonene-1,2-epoxide +10.128
Limonene-1,2-epoxide
ME500677
-
C07271
10.128
-
Limonoate
-
ME500678
-
C01593
5.386
-
Linatine
Linatine
ME491968
-
C05939
1.3925713
-
Lincomycin
-
ME500679
-
C06812
6.629
-
Lincomycin +4.924
-
ME500680
-
C06812
4.924
-
Lindenenone
-
ME500681
-
C17424
1.706
-
Lindenenone +1.189
-
ME500682
-
C17424
1.189
-
Lindenenone +1.35125
-
ME493429
-
C17424
1.35125
-
Lindenenone +3.525
-
ME500683
-
C17424
3.525
-
Linezolid
Linezolid
ME500684
-
C08146
3.181
-
Linoleamide
Linoleamide
ME491051
-
-
12.563416
-
Linoleamide +8.644
Linoleamide
ME500685
-
-
8.644
-
Linoleic Acid-biotin
-
ME500686
-
-
8.404
-
Linoleoyl Ethanolamide
Linoleoyl-EA
ME496074
-
-
12.3155
-
Linopirdine
Linopirdine
ME500687
-
C13780
1.405
-
Linopirdine +4.558666
Linopirdine
ME494349
-
C13780
4.558666
-
lipoamide
Lipoamide
ME496075
-
C00248
4.1794996
-
Lipoic acid, reduced
(R)-Dihydrolipoic acid
ME496076
-
C02147
3.1365
-
Lipoic acid, reduced -1.086
(R)-Dihydrolipoic acid
ME496077
-
C02147
1.086
-
Liquiritigenin 7-apiofuranoside-4'-glucoside
-
ME500688
-
-
5.408
-
Lisinopril
Lisinopril
ME500689
-
C07077
4.459
-
Lisinopril -4.448
Lisinopril
ME500690
-
C07077
4.448
-
L-isoleucyl-L-proline
Ile-Pro
ME500691
-
-
1.25
-
L-isoleucyl-L-proline +1.0176667
Ile-Pro
ME494350
-
-
1.0176667
-
L-isoleucyl-L-proline +1.089
Ile-Pro
ME500692
-
-
1.089
-
L-isoleucyl-L-proline +1.6225
Ile-Pro
ME492319
-
-
1.6225
-
L-isoleucyl-L-proline +3.361
Ile-Pro
ME500693
-
-
3.361
-
L-isoleucyl-L-proline +3.835714
Ile-Pro
ME491969
-
-
3.835714
-
L-isoleucyl-L-proline +3.9452
Ile-Pro
ME492797
-
-
3.9452
-
L-isoleucyl-L-proline -3.956
Ile-Pro
ME500694
-
-
3.956
-
L-isoleucyl-L-proline +3.9987998
Ile-Pro
ME491331
-
-
3.9987998
-
L-isoleucyl-L-proline -4.0798
Ile-Pro
ME492798
-
-
4.0798
-
L-isoleucyl-L-proline +4.1059165
Ile-Pro
ME491052
-
-
4.1059165
-
Lisuride
-
ME490533
-
-
11.659626
-
Lisuride -11.095668
-
ME494351
-
-
11.095668
-
Lithocholate 3-O-glucuronide
-
ME492799
-
C03033
6.2748003
-
Lithocholate 3-O-glucuronide -7.57
-
ME500695
-
C03033
7.57
-
Lithocholate 3-O-glucuronide -7.6208
-
ME492800
-
C03033
7.6208
-
Lithocholate 3-O-glucuronide -7.807571
-
ME491970
-
C03033
7.807571
-
Lithocholic acid glycine conjugate
Glycolithocholic acid
ME491167
-
C15557
10.609364
-
lithocholic acid sulfate
Lithocholic acid sulfate
ME492801
-
-
6.6673994
-
lithocholic acid sulfate +5.5806
Lithocholic acid sulfate
ME492802
-
-
5.5806
-
lithocholic acid sulfate +5.6832504
Lithocholic acid sulfate
ME493430
-
-
5.6832504
-
lithocholic acid sulfate +5.6906
Lithocholic acid sulfate
ME492803
-
-
5.6906
-
lithocholic acid sulfate +5.831
Lithocholic acid sulfate
ME500696
-
-
5.831
-
lithocholic acid sulfate -8.729143
Lithocholic acid sulfate
ME491971
-
-
8.729143
-
lithocholic acid sulfate -9.106
Lithocholic acid sulfate
ME492320
-
-
9.106
-
Lithospermoside
-
ME494352
-
C17771
1.0006667
-
L-Lysine
Lysine
ME494353
-
C00047
0.921
-
L-Methionine
Methionine
ME500697
-
C00073
1.403
-
L-NIO
-
ME494354
-
-
3.0696666
-
L-NIO +3.135
-
ME500698
-
-
3.135
-
Lobeline
-
ME496078
-
C07475
13.356
-
Lochnerinine
-
ME494355
-
C11812
6.9320006
-
Lochnerinine +6.828
-
ME500699
-
C11812
6.828
-
Loganic Acid
Loganic acid
ME500700
-
-
3.33
-
L-O-Methylthreonine
-
ME491972
-
-
1.33
-
L-O-Methylthreonine +0.96936363
-
ME491168
-
-
0.96936363
-
L-O-Methylthreonine +1.01875
-
ME493431
-
-
1.01875
-
L-O-Methylthreonine +1.169
-
ME500701
-
-
1.169
-
L-O-Methylthreonine +1.3824999
-
ME496079
-
-
1.3824999
-
Lomustine
Lomustine
ME500702
-
C07079
3.306
-
Lomustine +1.35
Lomustine
ME500703
-
C07079
1.35
-
Lonchocarpenin
-
ME493432
-
C10491
7.183
-
Lonchocarpenin -7.762
-
ME500704
-
C10491
7.762
-
Lonchocarpenin -8.1995
-
ME496080
-
C10491
8.1995
-
Lonicerin
-
ME496081
-
C17557
12.291
-
Loperamide
Loperamide
ME500705
-
C07080
8.572
-
Lophophorine
Lophophorine
ME492321
-
C09573
1.1686667
-
Lophophorine +1.123
Lophophorine
ME500706
-
C09573
1.123
-
Lophophorine +1.396
Lophophorine
ME500707
-
C09573
1.396
-
Lophophorine +1.619
Lophophorine
ME500708
-
C09573
1.619
-
Lophophorine +3.149
Lophophorine
ME500709
-
C09573
3.149
-
Lophophorine +3.5040002
Lophophorine
ME492804
-
C09573
3.5040002
-
Lophophorine +3.728
Lophophorine
ME500710
-
C09573
3.728
-
Lopinavir
-
ME500711
-
C12871
7.552
-
Loroxanthin ester/ Loroxanthin dodecenoate
Loroxanthin dodecenoate
ME494356
-
-
10.587
-
Loroxanthin ester/ Loroxanthin dodecenoate -10.588
Loroxanthin dodecenoate
ME493433
-
-
10.588
-
Losartan
Losartan
ME490534
-
C07072
10.015688
-
LPA(0:0/16:0)
LPA 0:0/16:0
ME496082
-
C00416
9.9995
-
L-Phenylalanine n-butyl ester
-
ME500712
-
-
1.397
-
L-Phenylalanine n-butyl ester +3.3785
-
ME496083
-
-
3.3785
-
L-Prolinamide
Methionine (S)-S-oxide
ME496084
-
C19781
3.429
-
L-Prolinamide +1.4000001
Methionine (S)-S-oxide
ME496085
-
C19781
1.4000001
-
L-prolyl-L-glycine
Pro-Gly
ME490842
-
-
1.0258572
-
L-prolyl-L-glycine +1.117
Pro-Gly
ME494357
-
-
1.117
-
L-prolyl-L-glycine +1.332
Pro-Gly
ME500713
-
-
1.332
-
L-prolyl-L-glycine +1.3445001
Pro-Gly
ME496086
-
-
1.3445001
-
L-prolyl-L-proline
Pro-Pro
ME491169
-
-
1.111
-
L-prolyl-L-proline +1.0304999
Pro-Pro
ME496087
-
-
1.0304999
-
L-prolyl-L-proline +3.071
Pro-Pro
ME500714
-
-
3.071
-
L-prolyl-L-proline +3.5625
Pro-Pro
ME491712
-
-
3.5625
-
L-prolyl-L-proline +3.566
Pro-Pro
ME496088
-
-
3.566
-
L-Pyrrolysine
-
ME500715
-
C16138
4.918
-
L-Pyrrolysine +3.823
-
ME500716
-
C16138
3.823
-
(L-Seryl)adenylate
L-Seryl-adenylate
ME496660
-
C05820
3.755
-
L-Threo-2-pentulose
L-Xylulose
ME496089
-
C00312
1.0745
-
L-Tryptophan
Tryptophan
ME491332
-
C00078
3.9517999
-
L-Tyrosine, 3-methoxy-a-methyl-, hydrogen sulfate
-
ME500717
-
-
0.962
-
Lubimin
Lubimin
ME496090
-
C09700
6.509
-
Lubimin +8.343
Lubimin
ME500718
-
C09700
8.343
-
Lucidone
-
ME500719
-
-
9.179
-
Luffariellolide
-
ME494358
-
C19901
14.084
-
Lumichrome
Lumichrome
ME493434
-
C01727
1.388
-
Lumichrome -1.6136667
Lumichrome
ME494359
-
C01727
1.6136667
-
Lumula
-
ME493435
-
-
9.72975
-
Lumula +10.609615
-
ME490945
-
-
10.609615
-
Lumula +9.248
-
ME500720
-
-
9.248
-
Lupanyl Acid
-
ME500721
-
-
0.883
-
Lupinate
Lupinic acid
ME500722
-
C01513
1.01
-
Lupulone
Lupulone
ME492805
-
C10706
9.6916
-
Lupulone -10.3965
Lupulone
ME496091
-
C10706
10.3965
-
Lupulone -10.566
Lupulone
ME500723
-
C10706
10.566
-
Lupulone -10.591091
Lupulone
ME491170
-
C10706
10.591091
-
Lupulone +10.6074
Lupulone
ME491333
-
C10706
10.6074
-
Lupulone -9.2325
Lupulone
ME496092
-
C10706
9.2325
-
Lupulone -9.66325
Lupulone
ME493436
-
C10706
9.66325
-
Lupulone +9.726334
Lupulone
ME491486
-
C10706
9.726334
-
L-Urobilin
L-Urobilin
ME490946
-
C05793
9.187923
-
L-Urobilin +6.668
L-Urobilin
ME500724
-
C05793
6.668
-
L-Urobilin +6.727
L-Urobilin
ME500725
-
C05793
6.727
-
L-Urobilin +6.957091
L-Urobilin
ME491171
-
C05793
6.957091
-
L-Urobilin +7.9715
L-Urobilin
ME496093
-
C05793
7.9715
-
L-Urobilin +9.124333
L-Urobilin
ME492322
-
C05793
9.124333
-
L-Urobilin -9.252
L-Urobilin
ME494360
-
C05793
9.252
-
L-Urobilinogen
L-Urobilinogen
ME492806
-
C05789
6.505
-
L-Urobilinogen +8.00525
L-Urobilinogen
ME493437
-
C05789
8.00525
-
L-Urobilinogen -8.039666
L-Urobilinogen
ME494361
-
C05789
8.039666
-
L-Urobilinogen +8.056
L-Urobilinogen
ME496094
-
C05789
8.056
-
L-Urobilinogen +8.0564995
L-Urobilinogen
ME492323
-
C05789
8.0564995
-
L-Urobilinogen -9.237285
L-Urobilinogen
ME491973
-
C05789
9.237285
-
L-Urobilinogen +9.254001
L-Urobilinogen
ME491172
-
C05789
9.254001
-
Lusitanicoside
Lusitanicoside
ME493438
-
C10474
1.0525
-
LY255283
-
ME500726
-
-
8.354
-
LY255283 +11.94
-
ME491053
-
-
11.94
-
LY255283 +13.442374
-
ME491713
-
-
13.442374
-
LY255283 +13.443
-
ME500727
-
-
13.443
-
LY255283 +13.733571
-
ME491974
-
-
13.733571
-
LY255283 +14.1015
-
ME496095
-
-
14.1015
-
LY255283 +7.557
-
ME500728
-
-
7.557
-
LY255283 +8.266
-
ME500729
-
-
8.266
-
LY364947
-
ME500730
-
-
1.195
-
LY395153
-
ME500731
-
C13676
1.388
-
Lycocernuine
Lycocernuine
ME500732
-
C09874
4.331
-
Lycofawcine
-
ME500733
-
C09878
6.218
-
Lycomarasmine B
Lycomarasmine
ME500734
-
C08496
4.501
-
Lycopsamine
Lycopsamine
ME496096
-
C10347
4.2655
-
Lycorine
-
ME493439
-
-
3.62025
-
Lycorine +3.308
-
ME500735
-
-
3.308
-
Lycorine +3.908
-
ME500736
-
-
3.908
-
Lycorine +4.3245
-
ME496097
-
-
4.3245
-
Lyngbyatoxin
-
ME490722
-
C15720
6.8212667
-
Lyngbyatoxin +5.9008
-
ME492807
-
C15720
5.9008
-
Lyngbyatoxin +5.92225
-
ME493440
-
C15720
5.92225
-
Lys-Abu-OH
-
ME500771
-
-
1.252
-
Lys Ala Gly
Lys-Ala-Gly
ME500737
-
-
0.934
-
Lys Ala Leu
Lys-Ala-Leu
ME500738
-
-
3.261
-
Lys Ala Leu +11.356
Lys-Ala-Leu
ME500739
-
-
11.356
-
Lys Arg
Lys-Arg
ME500740
-
-
0.843
-
Lys Arg +5.514
Lys-Arg
ME500741
-
-
5.514
-
Lys Asn
Lys-Asn
ME500742
-
-
1.396
-
Lys Asn +1.399
Lys-Asn
ME500743
-
-
1.399
-
Lys Glu Glu
Lys-Glu-Glu
ME500744
-
-
5.687
-
Lys Gly
Lys-Gly
ME496098
-
-
1.6489999
-
Lys Gly +1.6235001
Lys-Gly
ME496099
-
-
1.6235001
-
Lys Gly +4.152
Lys-Gly
ME500745
-
-
4.152
-
Lys Gly Arg
Lys-Gly-Arg
ME493441
-
-
6.2642503
-
Lys Gly Val
Lys-Gly-Val
ME500746
-
-
1.385
-
Lys His
Lys-His
ME493442
-
-
1.3835001
-
Lys His Asn
Lys-His-Asn
ME500747
-
-
6.756
-
Lys His Lys
Lys-His-Lys
ME494362
-
-
7.1819997
-
Lys His Lys -6.708
Lys-His-Lys
ME500748
-
-
6.708
-
Lys His Lys -7.76425
Lys-His-Lys
ME493443
-
-
7.76425
-
Lys His Thr
Lys-His-Thr
ME500749
-
-
5.399
-
Lys His Trp
Lys-His-Trp
ME500750
-
-
6.011
-
Lysine
Lysine
ME491715
-
C16440
0.86875
-
Lysine +0.948
Lysine
ME493446
-
C16440
0.948
-
Lys Leu
Lys-Leu
ME492808
-
-
1.0432001
-
Lys Leu +0.934
Lys-Leu
ME500751
-
-
0.934
-
Lys Leu +1.369
Lys-Leu
ME494363
-
-
1.369
-
Lys Leu +1.623
Lys-Leu
ME500752
-
-
1.623
-
Lys Leu +2.261
Lys-Leu
ME500753
-
-
2.261
-
Lys Leu Thr
Lys-Leu-Thr
ME500754
-
-
1.623
-
Lys Lys
Lys-Lys
ME500755
-
-
0.828
-
Lys Lys +4.455
Lys-Lys
ME500756
-
-
4.455
-
Lys Lys Cys
Lys-Lys-Cys
ME500757
-
-
5.085
-
Lys Lys Cys +7.789
Lys-Lys-Cys
ME500758
-
-
7.789
-
Lys Lys Lys
Lys-Lys-Lys
ME490535
-
-
13.011562
-
Lys Lys Lys +13.0252495
Lys-Lys-Lys
ME493444
-
-
13.0252495
-
Lys Lys Lys +13.068001
Lys-Lys-Lys
ME496100
-
-
13.068001
-
Lys Lys Lys +13.122
Lys-Lys-Lys
ME500759
-
-
13.122
-
Lys Lys Met
Lys-Lys-Met
ME491173
-
-
6.096637
-
Lys Lys Met +6.0915995
Lys-Lys-Met
ME492809
-
-
6.0915995
-
Lys Lys Ser
Lys-Lys-Ser
ME500760
-
-
4.479
-
Lys Lys Trp
Lys-Lys-Trp
ME496101
-
-
8.9925
-
Lys Lys Trp -10.396
Lys-Lys-Trp
ME496102
-
-
10.396
-
Lys Lys Trp -10.5895
Lys-Lys-Trp
ME491714
-
-
10.5895
-
Lys Lys Trp -9.258333
Lys-Lys-Trp
ME494364
-
-
9.258333
-
Lys Lys Trp -9.660001
Lys-Lys-Trp
ME492324
-
-
9.660001
-
Lys Lys Trp -9.709167
Lys-Lys-Trp
ME491054
-
-
9.709167
-
Lys Met Lys
Lys-Met-Lys
ME493445
-
-
6.092
-
Lys-Nap-OH
-
ME494367
-
-
1.4000001
-
Lys-Nap-OH +1.6275
-
ME493447
-
-
1.6275
-
LysoPE(0:0/16:0)
LPE 0:0/16:0
ME491975
-
-
10.590428
-
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)
LPE 24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0*
ME500772
-
-
6.331
-
Lys Phe Gln
Lys-Phe-Gln
ME492810
-
-
8.673599
-
Lys Phe Tyr
Lys-Phe-Tyr
ME496103
-
-
6.4884996
-
Lys Pro
Lys-Pro
ME500761
-
-
0.937
-
Lys Pro +1.0523334
Lys-Pro
ME494365
-
-
1.0523334
-
Lys Pro +1.1206
Lys-Pro
ME492811
-
-
1.1206
-
Lys Pro Asp
Lys-Pro-Asp
ME500762
-
-
3.69
-
Lys Pro Val
Lys-Pro-Val
ME500763
-
-
3.306
-
Lys Ser
Lys-Ser
ME494366
-
-
3.1336668
-
Lys Ser Pro
Lys-Ser-Pro
ME500764
-
-
3.345
-
Lys Ser Pro +4.036
Lys-Ser-Pro
ME500765
-
-
4.036
-
Lys Tyr
Lys-Tyr
ME500766
-
-
1.623
-
Lys Tyr +1.621
Lys-Tyr
ME500767
-
-
1.621
-
Lys Tyr +3.325
Lys-Tyr
ME500768
-
-
3.325
-
Lys Tyr +3.359
Lys-Tyr
ME500769
-
-
3.359
-
Lys Tyr Gly
Lys-Tyr-Gly
ME496104
-
-
3.093
-
Lys Tyr Gly +4.475
Lys-Tyr-Gly
ME492812
-
-
4.475
-
Lys-Val-OH
-
ME493448
-
-
3.92425
-
Lys-Val-OH +1.3976666
-
ME494368
-
-
1.3976666
-
Lys-Val-OH +3.818
-
ME500773
-
-
3.818
-
Lys Val Val
Lys-Val-Val
ME500770
-
-
1.621
-
M 344
-
ME500774
-
-
3.157
-
M 344 +11.351334
-
ME494369
-
-
11.351334
-
M 344 +3.863
-
ME500775
-
-
3.863
-
M 344 +4.715667
-
ME494370
-
-
4.715667
-
Macaflavone II
-
ME491055
-
-
6.2131658
-
Machaerol C
-
ME500777
-
-
5.854
-
Macrophylline
-
ME496105
-
C10348
4.0994997
-
Macrophylline +3.53
-
ME500778
-
C10348
3.53
-
Maculosin
Cyclo(Pro-Tyr)
ME496106
-
C10605
6.366
-
Maculosin +3.618
Cyclo(Pro-Tyr)
ME494371
-
C10605
3.618
-
Maculosin +4.484
Cyclo(Pro-Tyr)
ME500779
-
C10605
4.484
-
Maculosine
-
ME500780
-
C10718
6.974
-
Maculosine +5.659
-
ME500781
-
C10718
5.659
-
Maculosine -6.6380005
-
ME493450
-
C10718
6.6380005
-
Madecassic Acid
-
ME494372
-
-
6.8553333
-
Madecassic Acid -6.944778
-
ME491487
-
-
6.944778
-
Madecassic Acid +7.336
-
ME500782
-
-
7.336
-
Madecassic Acid +8.301
-
ME500783
-
-
8.301
-
Magnoshinin
Magnoshinin
ME491976
-
C10658
7.0899997
-
Magnoshinin +10.555
Magnoshinin
ME500784
-
C10658
10.555
-
Magnoshinin -6.6416664
Magnoshinin
ME494373
-
C10658
6.6416664
-
Magnoshinin -6.7798004
Magnoshinin
ME492813
-
C10658
6.7798004
-
Magnoshinin -7.184
Magnoshinin
ME496107
-
C10658
7.184
-
Magnoshinin -7.444
Magnoshinin
ME500785
-
C10658
7.444
-
Mahanimbine
-
ME500786
-
C09220
6.353
-
MAHMA NONOate
-
ME500787
-
-
3.227
-
Makisterone A
-
ME496108
-
C16874
8.352
-
Makisterone A +8.408
-
ME500788
-
C16874
8.408
-
Makisterone A +9.737
-
ME500789
-
C16874
9.737
-
Maleamic acid
Maleamate
ME492814
-
C01596
0.91760004
-
Maleic hydrazide
-
ME500790
-
C18474
0.961
-
Maleic hydrazide -1.047
-
ME500791
-
C18474
1.047
-
Maleic hydrazide -1.3673999
-
ME492815
-
C18474
1.3673999
-
Malic acid
Malic acid
ME493451
-
C03668
1.1070001
-
Mallotophenone
Mallotophenone
ME500792
-
C10708
5.277
-
Malonaldehyde
Malondialdehyde
ME496109
-
C19440
1.396
-
Maltotriitol
-
ME500793
-
-
1.609
-
Malyngamide C
-
ME494374
-
-
7.799333
-
Malyngamide H
-
ME492325
-
-
9.892834
-
Malyngamide H +10.6234
-
ME492816
-
-
10.6234
-
Malyngamide H +14.048874
-
ME490537
-
-
14.048874
-
Malyngamide H +14.0965
-
ME496110
-
-
14.0965
-
Malyngamide H +9.359
-
ME500794
-
-
9.359
-
m-Aminophenol
-
ME500795
-
C05058
3.852
-
m-Aminophenol +1.2426667
-
ME494375
-
C05058
1.2426667
-
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME491716
-
C00561
5.639
-
Mandipropamid
-
ME500796
-
C18522
0.961
-
Mannosyl-1beta-phosphomycoketide C34
-
ME494376
-
-
9.708
-
Mannosyl-1beta-phosphomycoketide C34 -10.595201
-
ME491334
-
-
10.595201
-
Maprotiline glucuronide
-
ME500797
-
-
5.828
-
Maprotiline glucuronide +6.191
-
ME500798
-
-
6.191
-
Mazindol
Mazindol
ME496111
-
-
4.864
-
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benz...
-
ME490536
-
C14935
11.820063
-
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benz...
-
ME500776
-
C14935
3.418
-
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benz...
-
ME493449
-
C14935
4.07375
-
MC-207,110
-
ME500799
-
C11602
7.78
-
MC-207,110 +7.7816663
-
ME494377
-
C11602
7.7816663
-
MC-6063
-
ME493452
-
C11069
1.0515
-
m-Chlorophenylbiguanide
-
ME490947
-
C13646
1.043846
-
MCI-186
-
ME494378
-
C13008
3.8339999
-
MDL 74156 glucuronide
-
ME492817
-
-
10.589399
-
MDL 74156 glucuronide +4.877
-
ME500800
-
-
4.877
-
Mebendazole metabolite (1H-Benzimidazole-5-methano...
-
ME496112
-
-
6.5594997
-
Mebendazole metabolite (2-Amino-5-benzoylbenzimida...
-
ME494379
-
-
9.672334
-
Mebeverine
Mebeverine
ME500801
-
-
9.884
-
Mebrofenin
-
ME494380
-
-
7.403667
-
Mebrofenin -6.392
-
ME500802
-
-
6.392
-
Mecarbinzid
-
ME493453
-
C18942
4.63175
-
Medroxyprogesterone glucuronide
-
ME500803
-
-
7.707
-
Medroxyprogesterone glucuronide +7.773
-
ME500804
-
-
7.773
-
Mefenacet
-
ME500805
-
C14525
5.847
-
Mefenacet +5.962
-
ME500806
-
C14525
5.962
-
Mefenamic acid Metabolite (b-D-Glucopyranuronic ac...
-
ME500807
-
-
3.526
-
Mefexamide
-
ME500808
-
-
4.173
-
Mefexamide +4.391
-
ME500809
-
-
4.391
-
Mefloquine
Mefloquine
ME500810
-
C07633
1.055
-
Mefloquine -1.3889999
Mefloquine
ME496113
-
C07633
1.3889999
-
Mefruside
-
ME493454
-
-
5.59125
-
MeIQ
-
ME496114
-
C19254
3.3755
-
MeIQ +3.723
-
ME496115
-
C19254
3.723
-
MeIQ +3.856
-
ME500811
-
C19254
3.856
-
MeIQ +3.877
-
ME500812
-
C19254
3.877
-
MeIQ +4.183
-
ME500813
-
C19254
4.183
-
MeIQx
-
ME494381
-
C19255
1.281
-
MeIQx +1.404
-
ME500814
-
C19255
1.404
-
Melibiitol
Melibiitol
ME496116
-
C05399
1.0465
-
Melithiazole E
Cystothiazole A
ME500815
-
C15712
14.248
-
Mellitoxin
-
ME500816
-
C09502
3.663
-
Melochinone
Melochinone
ME491335
-
C10727
4.8786
-
Melochinone +5.0765
Melochinone
ME496117
-
C10727
5.0765
-
(-)-menthyl beta-D-glucoside
Menthyl beta-D-glucoside
ME496579
-
C03962
7.769
-
Mepanipyrim
-
ME500817
-
C10919
6.495
-
Mepanipyrim +2.633
-
ME500818
-
C10919
2.633
-
Meperidine N-oxide
-
ME500820
-
-
0.923
-
Meperidine (pethidine)
Meperidine
ME496118
-
C07128
3.792
-
Meperidine (pethidine) +5.171
Meperidine
ME500819
-
C07128
5.171
-
Meperidinic acid
-
ME500821
-
-
2.985
-
Meperidinic acid glucuronide
-
ME500822
-
-
3.434
-
Mephenesin
-
ME491174
-
-
4.6757274
-
Mephenesin +1.628
-
ME496119
-
-
1.628
-
Mephenesin -5.374875
-
ME491717
-
-
5.374875
-
Meptazinol
-
ME492326
-
-
8.7645
-
Meradimate
-
ME490538
-
-
8.760625
-
Mercaptoacetyl-Phe-Leu
-
ME500823
-
C03292
4.345
-
Mesaconitine
Mesaconitine
ME496120
-
C08698
9.0865
-
Mesaconitine -9.071
Mesaconitine
ME500824
-
C08698
9.071
-
Mesaconitine -9.243
Mesaconitine
ME500825
-
C08698
9.243
-
Mescaline
Mescaline
ME491977
-
C06546
6.2564282
-
Mescaline +1.217
Mescaline
ME500826
-
C06546
1.217
-
Mescaline +6.805
Mescaline
ME500827
-
C06546
6.805
-
Mesobilirubinogen
Mesobilirubinogen
ME492818
-
C05790
9.0476
-
Mesobilirubinogen +11.68575
Mesobilirubinogen
ME493455
-
C05790
11.68575
-
Mesobilirubinogen +11.8145
Mesobilirubinogen
ME492327
-
C05790
11.8145
-
Mesobilirubinogen +11.877
Mesobilirubinogen
ME500828
-
C05790
11.877
-
Mesobilirubinogen +6.8195
Mesobilirubinogen
ME496121
-
C05790
6.8195
-
Mesobilirubinogen +7.06
Mesobilirubinogen
ME500829
-
C05790
7.06
-
Mesobilirubinogen +7.421
Mesobilirubinogen
ME496122
-
C05790
7.421
-
Mesobilirubinogen +8.349
Mesobilirubinogen
ME500830
-
C05790
8.349
-
Mesobilirubinogen -9.084714
Mesobilirubinogen
ME491978
-
C05790
9.084714
-
Mesobilirubinogen +9.100875
Mesobilirubinogen
ME491718
-
C05790
9.100875
-
Mesobilirubinogen -9.11
Mesobilirubinogen
ME500833
-
C05790
9.11
-
Mesobilirubinogen +9.122
Mesobilirubinogen
ME500831
-
C05790
9.122
-
Mesobilirubinogen +9.18825
Mesobilirubinogen
ME493456
-
C05790
9.18825
-
Mesobilirubinogen +9.236
Mesobilirubinogen
ME500832
-
C05790
9.236
-
Mesobilirubinogen +9.248199
Mesobilirubinogen
ME491336
-
C05790
9.248199
-
Mesoporphyrin IX
-
ME492819
-
-
6.8837996
-
Mesoporphyrin IX -11.767
-
ME500834
-
-
11.767
-
Mesoporphyrin IX -11.896
-
ME496123
-
-
11.896
-
Mesoporphyrin IX -11.975
-
ME500835
-
-
11.975
-
Mesoporphyrin IX -6.894
-
ME500836
-
-
6.894
-
Mesoporphyrin IX -7.733
-
ME500837
-
-
7.733
-
Mesoporphyrin IX -8.035
-
ME500838
-
-
8.035
-
Met-Abu-OH
-
ME500850
-
-
1.611
-
Metabutethamine
-
ME492820
-
C17723
4.2384
-
Metabutethamine +1.576
-
ME500851
-
C17723
1.576
-
Metabutethamine +1.629
-
ME500852
-
C17723
1.629
-
Metabutethamine +2.992
-
ME500853
-
C17723
2.992
-
Metabutethamine +3.86
-
ME500854
-
C17723
3.86
-
Metabutethamine +3.882
-
ME500855
-
C17723
3.882
-
Metabutethamine +4.1324005
-
ME492821
-
C17723
4.1324005
-
Metabutethamine +4.586
-
ME496127
-
C17723
4.586
-
Met Ala
Met-Ala
ME500839
-
-
1.627
-
Metalaxyl
Metalaxyl
ME494383
-
C10947
4.6803336
-
Metalaxyl +3.848
Metalaxyl
ME500856
-
C10947
3.848
-
Metalaxyl +3.974
Metalaxyl
ME500857
-
C10947
3.974
-
Metalaxyl +4.737
Metalaxyl
ME500858
-
C10947
4.737
-
Metalaxyl +5.02
Metalaxyl
ME500859
-
C10947
5.02
-
Metalaxyl +5.496
Metalaxyl
ME500860
-
C10947
5.496
-
Metalaxyl-M
Metalaxyl-M
ME490539
-
C18626
7.1396875
-
Metalaxyl-M +4.203
Metalaxyl-M
ME500861
-
C18626
4.203
-
Metalaxyl-M +4.486
Metalaxyl-M
ME500862
-
C18626
4.486
-
Metamitron
-
ME492328
-
C10930
1.4001666
-
Metamitron +3.164
-
ME500863
-
C10930
3.164
-
Metamitron +3.4145715
-
ME491980
-
C10930
3.4145715
-
Metamitron +3.6437502
-
ME493458
-
C10930
3.6437502
-
Metamitron +3.8241997
-
ME492822
-
C10930
3.8241997
-
Metamitron +4.581
-
ME500864
-
C10930
4.581
-
Metamitron +5.041
-
ME500865
-
C10930
5.041
-
Metanephrine
L-Metanephrine
ME500866
-
C05588
3.619
-
Metanephrine +5.082
L-Metanephrine
ME500867
-
C05588
5.082
-
Metanephrine +5.107
L-Metanephrine
ME500868
-
C05588
5.107
-
Met Arg Pro
Met-Arg-Pro
ME500840
-
-
7.262
-
Met Asn His
Met-Asn-His
ME496124
-
-
1.6045
-
Met Asn His -3.026
Met-Asn-His
ME500841
-
-
3.026
-
Met Asn His -4.439
Met-Asn-His
ME496125
-
-
4.439
-
Met Asn His -7.684
Met-Asn-His
ME493457
-
-
7.684
-
Met Cys Lys
Met-Cys-Lys
ME500842
-
-
3.665
-
Meteloidine
-
ME491719
-
C10861
3.4929998
-
Meteloidine +3.5654998
-
ME496128
-
C10861
3.5654998
-
Meteloidine +4.855
-
ME500869
-
C10861
4.855
-
Met Gln Gln
Met-Gln-Gln
ME500843
-
-
6.306
-
Met Gly Cys
Met-Gly-Cys
ME500844
-
-
3.167
-
Met-Gly-OH
-
ME491488
-
-
4.235778
-
Met Gly Tyr
Met-Gly-Tyr
ME500845
-
-
4.081
-
Methacholine
Methacholine
ME490540
-
C07471
1.3749374
-
Methacholine +4.609
Methacholine
ME496129
-
C07471
4.609
-
(-)-Methallenestrilphenol
-
ME496580
-
C15153
3.2
-
(-)-Methallenestrilphenol +1.6270001
-
ME494631
-
C15153
1.6270001
-
(-)-Methallenestrilphenol +4.569
-
ME496581
-
C15153
4.569
-
Methanesulfonic acid
Methanesulfonic acid
ME500870
-
C11145
0.913
-
?methasone valerate
-
ME494679
-
-
1.6285
-
?methasone valerate +7.0387993
-
ME491216
-
-
7.0387993
-
?methasone valerate -8.044001
-
ME494680
-
-
8.044001
-
Methdilazine
Methdilazine
ME496130
-
C07175
3.9950001
-
Methenolone
-
ME500871
-
-
11.04
-
Methenolone +11.256
-
ME500872
-
-
11.256
-
Methenolone +8.988
-
ME500873
-
-
8.988
-
Methicillin
-
ME500874
-
C07177
3.262
-
Methionine
Methionine
ME492823
-
C01733
1.3888
-
Methiothepin
-
ME500875
-
-
4.327
-
Met His Gln
Met-His-Gln
ME491979
-
-
6.041143
-
Met His Met
Met-His-Met
ME494382
-
-
1.4036666
-
Met His Met -1.5935
Met-His-Met
ME496126
-
-
1.5935
-
Methitural
Methitural
ME494384
-
C07558
1.645
-
Methitural -1.614
Methitural
ME500877
-
C07558
1.614
-
Methitural -3.161
Methitural
ME500878
-
C07558
3.161
-
Methitural -4.706
Methitural
ME500879
-
C07558
4.706
-
Methitural +4.717
Methitural
ME500876
-
C07558
4.717
-
Methocarbamol
Methocarbamol
ME496131
-
-
0.97
-
Methocarbamol +3.1935
Methocarbamol
ME496132
-
-
3.1935
-
Methocarbamol +4.77
Methocarbamol
ME500880
-
-
4.77
-
Methoprotryne
-
ME500881
-
C19104
3.325
-
Methoprotryne +5.237334
-
ME494385
-
C19104
5.237334
-
Methotrimeprazine
-
ME496133
-
C07192
3.2705002
-
Methoxyfenozide
-
ME500882
-
C18525
5.66
-
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
-
ME496139
-
-
9.178499
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
-
ME500894
-
C04698
1.626
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside ...
-
ME500897
-
C04698
0.925
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside ...
-
ME500895
-
C04698
0.931
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside ...
-
ME500896
-
C04698
4.809
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside ...
-
ME496140
-
C04698
5.284
-
methyl 2-benzamidoacetate
-
ME500883
-
-
1.339
-
Methyl 4-chloro-3-sulfamoylbenzoic acid
-
ME496134
-
-
3.6634998
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME490541
-
-
9.681313
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME490542
-
-
10.576062
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME491175
-
-
13.44282
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME500884
-
-
5.336
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME490723
-
-
9.661733
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME500885
-
-
9.676
-
methyl 9,10-epoxy-12,15-octadecadienoate
-
ME490843
-
-
12.304428
-
methyl 9,12-dihydroxy-13-oxo-10-octadecenoate
-
ME500886
-
-
11.489
-
methyl 9,12-dihydroxy-13-oxo-10-octadecenoate +11....
-
ME500887
-
-
11.543
-
Methyl acetate
Methyl acetate
ME496135
-
C17530
3.0279999
-
Methyl acetate -1.858
Methyl acetate
ME500888
-
C17530
1.858
-
Methyl acetyl ricinoleate
-
ME491176
-
C12280
11.762
-
Methyl acetyl ricinoleate +11.834
-
ME496136
-
C12280
11.834
-
Methyl acetyl ricinoleate +12.089
-
ME500889
-
C12280
12.089
-
Methylcarbamyl PAF C-8
-
ME496141
-
-
9.231
-
Methyldopate
-
ME492329
-
-
3.2428334
-
Methyldopate +1.2066666
-
ME494387
-
-
1.2066666
-
Methyldopate +1.4000001
-
ME496142
-
-
1.4000001
-
Methyldopate +1.618
-
ME500898
-
-
1.618
-
Methyldopate +3.0935001
-
ME496143
-
-
3.0935001
-
Methyldopate +3.876
-
ME500899
-
-
3.876
-
Methyldopate -4.085
-
ME500900
-
-
4.085
-
Methyldopate +4.2133336
-
ME494388
-
-
4.2133336
-
Methyldopexamine sulfate
-
ME491489
-
-
3.4351113
-
Methyl Gamboginate
-
ME500890
-
-
4.331
-
Methyl jasmonate
Methyl jasmonate
ME500891
-
C11512
2.442
-
Methyl jasmonate +3.798
Methyl jasmonate
ME494386
-
C11512
3.798
-
Methylmethionine sulfonium salt
Vitamin U
ME491981
-
C04078
3.1157143
-
Methylmethionine sulfonium salt +1.6495
Vitamin U
ME493459
-
C04078
1.6495
-
Methylmethionine sulfonium salt +3.107
Vitamin U
ME500901
-
C04078
3.107
-
Methyl o-methoxyhippuric acid
-
ME492824
-
-
1.4188
-
Methylone
-
ME496144
-
C20126
5.5249996
-
Methyl Orsellinate
-
ME496137
-
-
4.5959997
-
Methyl Orsellinate -5.096
-
ME500892
-
-
5.096
-
Methyl oxalate
-
ME496138
-
C10900
1.87
-
Methyl oxalate +1.843
-
ME500893
-
C10900
1.843
-
Methylphenidate
Methylphenidate
ME500902
-
C07196
4.65
-
Methylphenidate +1.6365
Methylphenidate
ME496145
-
C07196
1.6365
-
Methylphenidate +3.175
Methylphenidate
ME500903
-
C07196
3.175
-
Methylphenidate +4.716
Methylphenidate
ME500904
-
C07196
4.716
-
Methylprednisolone succinate
-
ME500905
-
C07907
7.506
-
Methylselenopyruvate
-
ME493460
-
C18904
0.839
-
Methylsuccinic acid
Methylsuccinic acid
ME491177
-
C08645
0.979909
-
Methylsuccinic acid +1.0386666
Methylsuccinic acid
ME494389
-
C08645
1.0386666
-
Methylsuccinic acid -1.653
Methylsuccinic acid
ME500906
-
C08645
1.653
-
Methylsynephrine
-
ME500907
-
-
1.34
-
Methylthiobenzoylglycine
-
ME500908
-
-
1.722
-
Methylthiobenzoylglycine +1.792
-
ME500909
-
-
1.792
-
Methylthiouracil
Methylthiouracil
ME500910
-
C19265
3.24
-
Metipranolol
Metipranolol
ME491056
-
C07915
11.418584
-
Met Met
Met-Met
ME500846
-
-
3.314
-
Met Met Arg
Met-Met-Arg
ME500847
-
-
3.428
-
Metochlopramide
Metoclopramide
ME492825
-
C07868
3.0166001
-
Metochlopramide +3.584
Metoclopramide
ME500911
-
C07868
3.584
-
Metochlopramide +6.628
Metoclopramide
ME500912
-
C07868
6.628
-
Metoprolol acid
-
ME500913
-
-
2.433
-
Metoprolol acid +1.269
-
ME500914
-
-
1.269
-
Metoprolol acid +3.1399999
-
ME496146
-
-
3.1399999
-
Metoprolol acid +3.82
-
ME500915
-
-
3.82
-
Metoprolol acid +4.5475
-
ME496147
-
-
4.5475
-
Met Pro Met
Met-Pro-Met
ME500848
-
-
0.937
-
Metribuzin
-
ME500916
-
C14332
3.431
-
Met-Ser-OH
-
ME496148
-
-
3.6599998
-
Met Tyr Leu
Met-Tyr-Leu
ME500849
-
-
4.358
-
Metyrapol
-
ME496149
-
-
1.2765
-
Mexacarbate
-
ME492330
-
C18952
1.0606667
-
Mexacarbate +3.4362
-
ME492826
-
C18952
3.4362
-
Mexacarbate +3.606
-
ME500917
-
C18952
3.606
-
Mexacarbate +3.609
-
ME500918
-
C18952
3.609
-
Mexacarbate +3.879
-
ME496150
-
C18952
3.879
-
Mezerein
Mezerein
ME500919
-
C09134
3.722
-
Mezerein -3.7793334
Mezerein
ME494390
-
C09134
3.7793334
-
Mezerein -3.95
Mezerein
ME500920
-
C09134
3.95
-
MG(0:0/18:0/0:0)
MG 0:0/18:0/0:0
ME490543
-
-
13.606376
-
MG(0:0/18:0/0:0) +13.7345
MG 0:0/18:0/0:0
ME490544
-
-
13.7345
-
MG(16:0/0:0/0:0)[rac]
MG 16:0/0:0/0:0
ME490545
-
-
13.122063
-
MG(16:0/0:0/0:0)[rac] -13.109
MG 16:0/0:0/0:0
ME500921
-
-
13.109
-
MG(16:1(9Z)/0:0/0:0)
MG 16:1(9Z)/0:0/0:0
ME490724
-
-
12.8178
-
MG(16:1(9Z)/0:0/0:0) +12.699333
MG 16:1(9Z)/0:0/0:0
ME494391
-
-
12.699333
-
MG(16:1(9Z)/0:0/0:0) -12.7560005
MG 16:1(9Z)/0:0/0:0
ME491720
-
-
12.7560005
-
MG(16:1(9Z)/0:0/0:0) +12.767072
MG 16:1(9Z)/0:0/0:0
ME490844
-
-
12.767072
-
MG(16:1(9Z)/0:0/0:0) +12.8645
MG 16:1(9Z)/0:0/0:0
ME496151
-
-
12.8645
-
MG(18:1(9Z)/0:0/0:0)
MG 18:1(9Z)/0:0/0:0
ME490546
-
-
11.336
-
MG(20:0/0:0/0:0)
MG 20:0/0:0/0:0*
ME494392
-
-
14.486667
-
MG(20:1(11Z)/0:0/0:0)
MG 20:1(11Z)/0:0/0:0*
ME490547
-
-
12.213124
-
MG(22:1(13Z)/0:0/0:0)
MG 22:1(13Z)/0:0/0:0*
ME490725
-
-
12.895802
-
MGDG-O(16:3(7Z,10Z,13Z))
-
ME500922
-
-
0.901
-
MGK 264
-
ME493461
-
C18795
9.12525
-
M-Hydroxydesmethylgliquidone
-
ME500923
-
-
10.002
-
Miconazole
-
ME496152
-
C07223
5.0445004
-
Miconazole -4.637
-
ME500924
-
C07223
4.637
-
Microcystin RA
-
ME500925
-
C19996
9.236
-
Microlenin
-
ME496153
-
C09510
7.8795
-
Microlenin -7.2565002
-
ME496156
-
C09510
7.2565002
-
Microlenin -7.455
-
ME494393
-
C09510
7.455
-
Microlenin -7.5497503
-
ME493462
-
C09510
7.5497503
-
Microlenin -7.634
-
ME496157
-
C09510
7.634
-
Microlenin -7.757
-
ME500926
-
C09510
7.757
-
Microlenin -7.8615
-
ME491721
-
C09510
7.8615
-
Microlenin -8.255666
-
ME494394
-
C09510
8.255666
-
Microlenin +8.3085
-
ME496154
-
C09510
8.3085
-
Microlenin -8.337801
-
ME492827
-
C09510
8.337801
-
Microlenin +8.357
-
ME496155
-
C09510
8.357
-
Micropine
Micropine
ME500927
-
-
5.205
-
Micropine +6.037
Micropine
ME500928
-
-
6.037
-
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R...
-
ME494395
-
-
7.404
-
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R...
-
ME496158
-
-
1.359
-
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R...
-
ME500929
-
-
6.391
-
MID41944:1?-hydroxy-20-oxo-22,23,24,25,26,27-hexan...
-
ME500930
-
-
4.666
-
MID41972:1?-hydroxy-24-methylsulfonyl-25,26,27-tri...
-
ME500931
-
-
9.066
-
MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,...
-
ME500932
-
-
9.874
-
MID42016:1?,26,26,26,27,27,27-heptafluoro-25-hydro...
-
ME500933
-
-
7.387
-
MID42016:1?,26,26,26,27,27,27-heptafluoro-25-hydro...
-
ME500934
-
-
7.375
-
MID42016:1?,26,26,26,27,27,27-heptafluoro-25-hydro...
-
ME500935
-
-
7.494
-
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrov...
-
ME490726
-
-
13.720666
-
MID42045:(22E)-(24R)-1?,24-dihydroxy-26,27-cyclo-2...
-
ME490548
-
-
13.721686
-
MID42045:(22E)-(24R)-1?,24-dihydroxy-26,27-cyclo-2...
-
ME500936
-
-
13.594
-
MID42092:1?,25-dihydroxy-9,11-didehydro-3-deoxyvit...
-
ME500937
-
-
9.849
-
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovi...
-
ME491337
-
-
6.3242
-
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovi...
-
ME494396
-
-
6.329333
-
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovi...
-
ME496159
-
-
9.5315
-
MID42321:1?-hydroxy-22-(3-methylphenyl)-23,24,25,2...
-
ME496160
-
-
9.761499
-
MID42323:1?,25-dihydroxy-26,27-dimethyl-20,21,22,2...
-
ME493463
-
-
13.0955
-
MID42324:24a,24b-epoxy-23-tetradehydro-24a,24b-dih...
-
ME500938
-
-
7.403
-
MID42324:24a,24b-epoxy-23-tetradehydro-24a,24b-dih...
-
ME500939
-
-
7.881
-
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-...
-
ME500940
-
-
10.026
-
MID42337:1?,25-dihydroxy-22,23-didehydro-24a,24b-d...
-
ME496161
-
-
8.4145
-
MID42465:(6S)-vitamin D3 6,19-(4-phenyl-1,2,4-tria...
-
ME500941
-
-
6.446
-
MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dino...
-
ME500942
-
-
5.994
-
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-t...
-
ME500943
-
-
9.372
-
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-t...
-
ME500944
-
-
9.888
-
MID66280:1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-...
-
ME500945
-
C04923
0.89
-
MID84156:26-O-beta-D-glucopyranosyl-22-methoxy-3be...
-
ME496162
-
-
9.262
-
MID84159:26-O-beta-D-glucopyranosyl-3beta,26-dihyd...
-
ME496163
-
-
7.769
-
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-e...
-
ME490727
-
-
10.289134
-
MID84216:(23S,25R)-12alpha,17alpha,23-trihydroxysp...
-
ME494397
-
-
0.898
-
MID84217:(23S,25R)-14alpha,17alpha,23-trihydroxysp...
-
ME493464
-
-
0.898
-
MID84220:(25R)-5alpha-spirostan-3beta,6alpha,23S-t...
-
ME500946
-
-
9.211
-
Midodrine
Midodrine
ME492331
-
C07890
1.0793334
-
Midodrine +1.40025
Midodrine
ME493465
-
C07890
1.40025
-
Midodrine +1.63325
Midodrine
ME493466
-
C07890
1.63325
-
Midodrine -3.4063332
Midodrine
ME494398
-
C07890
3.4063332
-
Midodrine +3.65
Midodrine
ME500947
-
C07890
3.65
-
Midodrine -3.79725
Midodrine
ME493467
-
C07890
3.79725
-
Midodrine +3.8175714
Midodrine
ME492332
-
C07890
3.8175714
-
Militarinone B
Militarinone B
ME500948
-
C12334
5.996
-
Militarinone B +6.217
Militarinone B
ME500949
-
C12334
6.217
-
Militarinone B +6.748
Militarinone B
ME500950
-
C12334
6.748
-
Militarinone B +6.799
Militarinone B
ME500951
-
C12334
6.799
-
Militarinone B +7.231
Militarinone B
ME500952
-
C12334
7.231
-
Militarinone B +7.713
Militarinone B
ME500953
-
C12334
7.713
-
Millettin
-
ME500954
-
-
5.42
-
Minabeolide-1
-
ME492828
-
-
10.664
-
Minabeolide-2
-
ME491982
-
-
6.3882856
-
Minabeolide-2 +6.574
-
ME500955
-
-
6.574
-
Minoxidil
-
ME500956
-
C07226
0.927
-
Minoxidil +1.336
-
ME500957
-
C07226
1.336
-
Minoxidil-O-glucuronide
-
ME494399
-
-
0.9343333
-
Mirasan
Mirasan
ME500958
-
C11716
9.909
-
Mirasan +6.254
Mirasan
ME500959
-
C11716
6.254
-
Miserotoxin
-
ME496164
-
C08507
0.985
-
Miserotoxin +0.96575004
-
ME493468
-
C08507
0.96575004
-
Mitomycin
Mitomycin
ME492333
-
C06681
1.64
-
Mitoxantrone dicarboxylic acid
-
ME500960
-
-
1.625
-
Mitragynine
-
ME491490
-
C09226
7.7056675
-
Mitragynine +6.698
-
ME500961
-
C09226
6.698
-
MK 886
-
ME500962
-
-
6.001
-
MK 886 +5.136
-
ME500963
-
-
5.136
-
MK 886 +5.413
-
ME500964
-
-
5.413
-
ML-236C
ML 236C
ME493469
-
C14043
3.7584999
-
ML-236C +4.196
ML 236C
ME496165
-
C14043
4.196
-
Moclobemide
Moclobemide
ME500965
-
-
1.345
-
Moclobemide +4.054
Moclobemide
ME500966
-
-
4.054
-
Molephantin
-
ME500967
-
C09512
6.461
-
Monocerin
-
ME494400
-
C09953
8.3566675
-
Monocrotaline
Monocrotaline
ME496166
-
C10350
4.4484997
-
Monocrotaline +3.514
Monocrotaline
ME500968
-
C10350
3.514
-
Monocrotaline +3.53
Monocrotaline
ME500969
-
C10350
3.53
-
Monocrotaline +3.695
Monocrotaline
ME500970
-
C10350
3.695
-
Monocrotaline +3.726
Monocrotaline
ME500971
-
C10350
3.726
-
Monocrotaline +4.306
Monocrotaline
ME494401
-
C10350
4.306
-
monodeallydihydroxyalmitrine
-
ME500972
-
-
3.31
-
Monodehydroascorbate
-
ME500973
-
C01041
0.963
-
Monomethyl sulfate
Methyl sulfate
ME500974
-
C02704
0.995
-
Monotropein
-
ME496167
-
C09788
1.3875
-
Monotropein -1.618
-
ME500975
-
C09788
1.618
-
Montanin
Montanin
ME490549
-
C09135
11.010813
-
Montanol
Montanol
ME490728
-
C09137
14.091
-
Moricizine
Moricizine
ME500976
-
C07743
5.665
-
Moricizine sulfone
-
ME500977
-
-
4.458
-
Morphine 6-sulfate
-
ME500978
-
-
5.956
-
Moxalactam
Latamoxef
ME500979
-
C07231
1.593
-
MRE-269
-
ME491491
-
-
8.564445
-
MRE-269 -6.8302
-
ME492829
-
-
6.8302
-
MRE-269 +6.8467145
-
ME490845
-
-
6.8467145
-
MRE-269 -8.546166
-
ME492334
-
-
8.546166
-
MRE-269 -8.582199
-
ME492830
-
-
8.582199
-
MRE-269 -8.593
-
ME500981
-
-
8.593
-
MRE-269 +8.599
-
ME500980
-
-
8.599
-
MRE-269 +8.602142
-
ME491983
-
-
8.602142
-
MS-275
-
ME500982
-
-
4.545
-
MS-PPOH
-
ME500983
-
-
1.402
-
m-Trifluoromethylhippuric acid
-
ME500984
-
-
3.413
-
Mucronine B
Mucronine B
ME496168
-
C10010
5.3525
-
Multifidol
Multifidol
ME490550
-
C10709
6.8403745
-
Multifidol -5.49
Multifidol
ME500985
-
C10709
5.49
-
Multifidol -5.9785004
Multifidol
ME496169
-
C10709
5.9785004
-
Muramic acid
Muramic acid
ME500986
-
C06470
0.997
-
(+)-Muscarine
-
ME496593
-
-
6.565
-
Musk ambrette
-
ME492335
-
C19461
3.41
-
Musk ambrette +3.4893334
-
ME492336
-
C19461
3.4893334
-
Musk xylene
-
ME500987
-
C19462
3.542
-
Mycalamide B
-
ME500988
-
C17009
8.238
-
Mycinamicin IV
Mycinamicin IV
ME491984
-
C18846
0.8917143
-
Mycinamicin VII
-
ME500989
-
C15683
8.96
-
Mycinamicin VII -8.725
-
ME496170
-
C15683
8.725
-
Mycinamicin VII +8.741
-
ME500990
-
C15683
8.741
-
Mycinamicin VII -8.9435005
-
ME496171
-
C15683
8.9435005
-
Mycophenolate mofetil
Mycophenolate mofetil
ME496172
-
C07908
5.1105003
-
Mycophenolic Acid
Mycophenolic acid
ME500991
-
-
4.953
-
Mycosporine
Mycosporine
ME496173
-
C10607
3.996
-
Mycosporine +1.3429999
Mycosporine
ME496174
-
C10607
1.3429999
-
Mycosporine +1.6486667
Mycosporine
ME494402
-
C10607
1.6486667
-
Mycosporine +6.7955
Mycosporine
ME496175
-
C10607
6.7955
-
myo-Inositol pentakisphosphate
-
ME496176
-
C15991
0.879
-
Myosmine
-
ME500992
-
C10160
5.607
-
Myricetin 3-(2'',3'',4''-triacetylxyloside)
-
ME500993
-
-
11.171
-
Myristic Acid Alkyne
-
ME500994
-
-
0.931
-
Myristic Acid ethyl ester
Ethyl tetradecanoate
ME491492
-
-
13.717889
-
Myristic Acid ethyl ester -13.506571
Ethyl tetradecanoate
ME491985
-
-
13.506571
-
Myristic Acid ethyl ester -13.5785
Ethyl tetradecanoate
ME496177
-
-
13.5785
-
Myrrhanol A
-
ME491493
-
-
14.552891
-
Myrtucommulone A
-
ME500995
-
-
6.558
-
Myxalamid B
Myxalamid B
ME490846
-
C12159
13.197714
-
Myxalamid B +13.286858
Myxalamid B
ME491986
-
C12159
13.286858
-
Myxalamid S
-
ME492337
-
C12157
10.609
-
Myxochelin A
-
ME500996
-
C12220
4.774
-
Myxochelin B
-
ME491057
-
C12221
10.016666
-
Myxochromide S2
-
ME500997
-
C15715
0.892
-
Myxothiazol Z
-
ME500998
-
C15675
7.456
-
Myxothiazol Z -8.254
-
ME500999
-
C15675
8.254
-
Myxothiazol Z -8.3396
-
ME492831
-
C15675
8.3396
-
N17-Dimethylindole-3-carboxaldehyde
-
ME501032
-
-
4.352
-
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME501029
-
C03413
0.936
-
N1,N12-Diacetylspermine +1.23
N1,N12-Diacetylspermine
ME491726
-
C03413
1.23
-
N1,N12-Diacetylspermine +1.322
N1,N12-Diacetylspermine
ME501030
-
C03413
1.322
-
N1,N12-Diacetylspermine +6.7706666
N1,N12-Diacetylspermine
ME494409
-
C03413
6.7706666
-
N1,N4-Diacetylsulfanilamide
-
ME490551
-
-
7.845313
-
N1,N5,N10-Triferuloyl spermidine
-
ME501031
-
C18071
6.933
-
N-(2,3-Dihydroxybenzoyl)-L-serine
N-(2,3-Dihydroxybenzoyl)-L-serine
ME491723
-
C04204
3.488625
-
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl a...
-
ME493470
-
-
6.1815
-
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl a...
-
ME491722
-
-
6.1861258
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME491058
-
C12986
3.1592503
-
N2-Acetyl-L-aminoadipate -1.384
N-Acetyl-2-aminoadipic acid
ME491340
-
C12986
1.384
-
N2-Acetyl-L-aminoadipate -1.4735
N-Acetyl-2-aminoadipic acid
ME496196
-
C12986
1.4735
-
N2-Acetyl-L-aminoadipate -1.532
N-Acetyl-2-aminoadipic acid
ME501037
-
C12986
1.532
-
N2-Acetyl-L-aminoadipate -1.6153334
N-Acetyl-2-aminoadipic acid
ME494410
-
C12986
1.6153334
-
N2-Acetyl-L-aminoadipate -3.0814002
N-Acetyl-2-aminoadipic acid
ME492834
-
C12986
3.0814002
-
N2-Acetyl-L-aminoadipate -3.4383335
N-Acetyl-2-aminoadipic acid
ME494411
-
C12986
3.4383335
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME501033
-
C04020
2.304
-
N2-(D-1-Carboxyethyl)-L-lysine +0.921
D-Lysopine
ME496194
-
C04020
0.921
-
N2-(D-1-Carboxyethyl)-L-lysine -1.377
D-Lysopine
ME501035
-
C04020
1.377
-
N2-(D-1-Carboxyethyl)-L-lysine -3.496
D-Lysopine
ME496195
-
C04020
3.496
-
N2-(D-1-Carboxyethyl)-L-lysine +3.507
D-Lysopine
ME501034
-
C04020
3.507
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME501036
-
-
0.96
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME490847
-
C03415
1.0142143
-
N-(3,4-Dichlorophenyl)-malonamate
-
ME491494
-
C04205
0.8361111
-
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-...
-
ME501026
-
-
9.711
-
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfoxy)cholan-2...
-
ME501027
-
-
5.042
-
N3'-Acetylgentamicin
-
ME501038
-
C03009
3.074
-
N3'-Acetylgentamicin -8.398334
-
ME494412
-
C03009
8.398334
-
N3'-Acetylgentamicin -8.451
-
ME501039
-
C03009
8.451
-
N3-Metyladenine
N3-Metyladenine
ME501040
-
C05026
0.917
-
N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone
-
ME490848
-
-
12.323285
-
N-(3-oxo-octanoyl)-homoserine lactone
N-(3-Oxo-octanoyl)-homoserine lactone
ME501000
-
C11841
1.398
-
N-(3-oxo-octanoyl)-homoserine lactone +1.618
N-(3-Oxo-octanoyl)-homoserine lactone
ME501001
-
C11841
1.618
-
N-(3S-hydroxy-butanoyl)-homoserine lactone
-
ME496178
-
C11842
1.3975
-
N-(3S-hydroxydecanoyl)-L-serine
-
ME501002
-
-
7.48
-
N-(4-benzenesulfonamide) arachidonoyl amine
-
ME492832
-
-
9.875799
-
N-(4-benzenesulfonamide) arachidonoyl amine -6.859
-
ME501003
-
-
6.859
-
N4-(b-N-Acetyl-D-glucosaminyl)-L-asparagine
Aspartylglycosamine
ME501041
-
C04540
3.19
-
N4-Phosphoagmatine
N(4)-Phosphoagmatine
ME492835
-
C02726
6.1955996
-
N4-Phosphoagmatine -3.666
N(4)-Phosphoagmatine
ME501042
-
C02726
3.666
-
N5-Ethyl-L-glutamine
N(5)-Ethyl-glutamine
ME496198
-
C01047
2.255
-
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME496197
-
C04210
1.143
-
N-(6-Aminohexyl)-1-chloro-naphthalene-5-sulfonamid...
-
ME496180
-
-
1.384
-
N6-Carbamoyl-DL-Lysine
-
ME496201
-
-
1.395
-
N6-Carbamoyl-DL-Lysine +1.024
-
ME492338
-
-
1.024
-
N6-Carbamoyl-DL-Lysine +1.619
-
ME501044
-
-
1.619
-
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME501005
-
C04211
5.519
-
N6-(L-1,3-Dicarboxypropyl)-L-lysine
Saccharopine
ME496199
-
C00449
1.332
-
N6-(L-1,3-Dicarboxypropyl)-L-lysine -0.93799996
Saccharopine
ME496200
-
C00449
0.93799996
-
N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.06
Saccharopine
ME501043
-
C00449
6.06
-
N6-Methyl-2'-deoxyadenosine
N6-Methyl-2'-deoxyadenosine
ME492837
-
C03795
1.093
-
N6-Methyl-2'-deoxyadenosine +0.9293334
N6-Methyl-2'-deoxyadenosine
ME494413
-
C03795
0.9293334
-
N6-Methyl-2'-deoxyadenosine +0.931
N6-Methyl-2'-deoxyadenosine
ME501045
-
C03795
0.931
-
N6-Methyl-2'-deoxyadenosine +1.0275
N6-Methyl-2'-deoxyadenosine
ME496202
-
C03795
1.0275
-
N6-Methyl-2'-deoxyadenosine +1.387
N6-Methyl-2'-deoxyadenosine
ME501046
-
C03795
1.387
-
N(6)-Methyllysine
N(6)-Methyllysine
ME494403
-
C02728
1.2486666
-
N6,N6-Dimethyladenosine
N(6),N(6)-Dimethyladenosine
ME492836
-
C03416
1.608
-
N6,N6,O-Tridemethylpuromycin-5'-phosphate
-
ME493474
-
C07027
3.482
-
N(6)-(Octanoyl)lysine
-
ME496179
-
-
4.138
-
N(6)-(Octanoyl)lysine +4.592
-
ME501004
-
-
4.592
-
N8-Acetylspermidine
N8-Acetylspermidine
ME492339
-
C01029
0.97349995
-
NA
-
ME496203
-
-
6.625
-
NA -6.8830004
-
ME496204
-
-
6.8830004
-
Nabam
-
ME490552
-
C18748
0.81737506
-
Nabam -0.6946667
-
ME492340
-
C18748
0.6946667
-
Nabam -0.728
-
ME501047
-
C18748
0.728
-
Nabam -0.8
-
ME496205
-
C18748
0.8
-
Nabam -0.83650005
-
ME496206
-
C18748
0.83650005
-
Nabam -0.848
-
ME501048
-
C18748
0.848
-
Nabam -1.079
-
ME496207
-
C18748
1.079
-
Nabam -1.3065
-
ME496208
-
C18748
1.3065
-
NAC
-
ME501049
-
C11486
0.932
-
NAC-Diketide
-
ME496209
-
C12089
6.6835003
-
N-Acetyl-6-O-L-fucosyl-D-glucosamine
-
ME496210
-
-
0.938
-
N-Acetyl-8-O-methyl-Neuraminic acid
-
ME496211
-
-
0.94200003
-
N-Acetyl-9-O-lactoylneuraminic acid
N-Acetyl-9-O-lactoylneuraminic acid
ME501050
-
-
3.125
-
N-acetylaspartate
N-Acetylaspartic acid
ME501051
-
C01042
1.323
-
N-Acetyl-beta-D-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME501052
-
C01239
0.941
-
N-AcetylCilastatin
N-AcetylCilastatin
ME501053
-
-
3.023
-
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME501054
-
C00140
1.011
-
N-Acetyl-DL-methionine
N-Acetylmethionine
ME491988
-
-
3.8884284
-
N-Acetyl-DL-methionine +3.889
N-Acetylmethionine
ME501055
-
-
3.889
-
N-Acetyl-D-phenylalanine
N-Acetylphenylalanine
ME501056
-
C03519
1.623
-
N-Acetyl-D-quinovosamine
-
ME491989
-
C15481
0.9452858
-
N-Acetyl-D-quinovosamine +0.9346
-
ME492838
-
C15481
0.9346
-
N-Acetyl-D-quinovosamine +0.986
-
ME501057
-
C15481
0.986
-
N-Acetyl-D-quinovosamine +1.1395
-
ME496212
-
C15481
1.1395
-
N-Acetyl-D-quinovosamine +1.303875
-
ME491727
-
C15481
1.303875
-
N-Acetylglucosamine-1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME501058
-
C04501
4.488
-
N-Acetylimidazole
N-Acetylimidazole
ME491990
-
C02560
1.3988571
-
N-Acetylimidazole +1.0175
N-Acetylimidazole
ME493475
-
C02560
1.0175
-
N-Acetyl-L-2-amino-6-oxopimelate
-
ME491991
-
C05539
1.3838571
-
N-Acetyl-L-2-amino-6-oxopimelate -1.388
-
ME496213
-
C05539
1.388
-
N-Acetyl-L-2-amino-6-oxopimelate +1.394
-
ME501059
-
C05539
1.394
-
N-Acetyl-L-2-amino-6-oxopimelate -1.61025
-
ME493476
-
C05539
1.61025
-
N?-Acetyl-L-arginine
N-Acetylarginine
ME491725
-
-
1.386125
-
N-Acetyl-leucyl-leucine
N-Acetyl-leucyl-leucine
ME496214
-
C11333
4.2539997
-
N-Acetyl-leucyl-leucine +4.146
N-Acetyl-leucyl-leucine
ME501060
-
C11333
4.146
-
N-Acetyl-leu-leu-tyr
-
ME501061
-
C11330
3.418
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME492839
-
C00624
1.5918
-
N-acetyl-LTE4
N-Acetyl-leukotriene E4
ME501062
-
C11361
6.357
-
N-acetyl-LTE4 -6.49
N-Acetyl-leukotriene E4
ME501063
-
C11361
6.49
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME496215
-
C00645
5.4575005
-
N-Acetylmannosamine -0.943
N-Acetyl-mannosamine
ME501064
-
C00645
0.943
-
N-Acetylmuramic acid
N-Acetylmuramic acid
ME501065
-
C02713
1.612
-
N-Acetylmuramic acid +0.947
N-Acetylmuramic acid
ME501066
-
C02713
0.947
-
N-Acetylmuramic acid +1.44
N-Acetylmuramic acid
ME501067
-
C02713
1.44
-
N-Acetylmuramic acid +2.2473333
N-Acetylmuramic acid
ME494414
-
C02713
2.2473333
-
N-Acetylmuramoyl-Ala
N-Acetylmuramoyl-Ala
ME501068
-
C02999
3.336
-
N-Acetylneuraminic Acid
N-Acetylneuraminic acid
ME492341
-
C00270
0.96783334
-
N-Acetylneuraminic Acid -0.95600003
N-Acetylneuraminic acid
ME494415
-
C00270
0.95600003
-
N-Acetylneuraminic Acid -1.068
N-Acetylneuraminic acid
ME501069
-
C00270
1.068
-
N-Acetyl-p-benzoquinonimine
-
ME501070
-
-
1.176
-
N-Acetylprocainamide
N-Acetylprocainamide
ME501071
-
-
3.2
-
N-Acetylserine
N-Acetylserine
ME490729
-
-
0.9485334
-
N-acetylsphingosine 1-phosphate
CerP 18:1;O2/2:0
ME501072
-
-
6.242
-
N-Acetylsulfadiazine
-
ME501073
-
-
3.123
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME496216
-
-
3.2665
-
N-Acetylvanilalanine +1.62
N-Acetylvanilalanine
ME501074
-
-
1.62
-
NAc-FnorLRF-amide
-
ME501075
-
C11606
8.129
-
NAc-FnorLRF-amide +9.26
-
ME501076
-
C11606
9.26
-
Nadolol
Nadolol
ME501077
-
C07249
1.412
-
Nafenopin glucuronide
-
ME501078
-
C11608
6.998
-
Nafoxidine
Nafoxidine
ME490849
-
C14212
6.0065002
-
Nafoxidine +5.8865
Nafoxidine
ME496217
-
C14212
5.8865
-
Nafoxidine +6.17575
Nafoxidine
ME493477
-
C14212
6.17575
-
Nafoxidine +7.002
Nafoxidine
ME501079
-
C14212
7.002
-
Nafoxidine +7.088
Nafoxidine
ME501080
-
C14212
7.088
-
Nalbuphine-3-sulfate
-
ME501081
-
-
1.383
-
Naloxol
-
ME501082
-
-
3.793
-
Naloxol +5.045
-
ME501083
-
-
5.045
-
N-alpha-Acetyl-L-2,4-diaminobutyrate
-
ME491992
-
C19929
1.0564286
-
N-alpha-Acetyl-L-2,4-diaminobutyrate +1.127
-
ME501084
-
C19929
1.127
-
N-alpha-Acetyl-L-2,4-diaminobutyrate +3.2165
-
ME496218
-
C19929
3.2165
-
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME496181
-
C04335
3.5314999
-
N(alpha)-Benzyloxycarbonyl-L-leucine +3.7616665
N-Benzyloxycarbonyl-L-leucine
ME494404
-
C04335
3.7616665
-
N(alpha)-Benzyloxycarbonyl-L-leucine +4.0795
N-Benzyloxycarbonyl-L-leucine
ME496182
-
C04335
4.0795
-
N(alpha)-Benzyloxycarbonyl-L-leucine +4.3232503
N-Benzyloxycarbonyl-L-leucine
ME493471
-
C04335
4.3232503
-
N(alpha)-Benzyloxycarbonyl-L-leucine +4.613
N-Benzyloxycarbonyl-L-leucine
ME501006
-
C04335
4.613
-
N(alpha)-gamma-L-Glutamylhistamine
N(alpha)-gamma-Glutamylhistamine
ME491724
-
C04138
1.40625
-
N(alpha)-gamma-L-Glutamylhistamine +0.916
N(alpha)-gamma-Glutamylhistamine
ME501007
-
C04138
0.916
-
N(alpha)-gamma-L-Glutamylhistamine +1.6255715
N(alpha)-gamma-Glutamylhistamine
ME491987
-
C04138
1.6255715
-
N(alpha)-gamma-L-Glutamylhistamine +1.638
N(alpha)-gamma-Glutamylhistamine
ME496183
-
C04138
1.638
-
N(alpha)-gamma-L-Glutamylhistamine +1.72
N(alpha)-gamma-Glutamylhistamine
ME496184
-
C04138
1.72
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME501008
-
C04301
3.737
-
Nandrolone phenpropionate
Nandrolone phenpropanoate
ME492840
-
C08155
9.8934
-
Nandrolone phenpropionate +14.048813
Nandrolone phenpropanoate
ME490553
-
C08155
14.048813
-
Nandrolone phenpropionate +9.3784
Nandrolone phenpropanoate
ME492841
-
C08155
9.3784
-
Nandrolone phenpropionate +9.892
Nandrolone phenpropanoate
ME501085
-
C08155
9.892
-
Nantenine
-
ME501086
-
C19985
3.741
-
Nantenine +5.625
-
ME501087
-
C19985
5.625
-
Naphthyl-2-hydroxymethyl-succinyl CoA
-
ME493478
-
C14118
0.88975
-
Nap-Lys-OH
-
ME501088
-
-
1.623
-
Nap-Nap-OH
-
ME501089
-
-
5.513
-
N-arachidonoyl alanine
-
ME501090
-
-
10.408
-
Narbomycin
Narbomycin
ME501091
-
C11998
6.181
-
Naringin
Naringin
ME491178
-
C09789
13.154
-
Navenone A
-
ME501092
-
C17019
3.186
-
NBD-FTY720 phenoxy
-
ME501093
-
-
6.01
-
NBD-FTY720 phenoxy +6.222
-
ME501094
-
-
6.222
-
NBD-FTY720 phenoxy +6.413
-
ME501095
-
-
6.413
-
N-Benzoyl-4-hydroxyanthranilate
-
ME496219
-
C04207
3.6805
-
N-Benzoyl-4-methoxyanthranilate
-
ME501096
-
C04208
3.831
-
N-Benzoyl-4-methoxyanthranilate -5.379
-
ME501097
-
C04208
5.379
-
N-Benzoyl-D-arginine
N-Benzoyl-D-arginine
ME492342
-
C03001
3.3984997
-
N-Benzoyl-D-arginine +3.4665
N-Benzoyl-D-arginine
ME496220
-
C03001
3.4665
-
N-Benzoyl-D-arginine-4-nitroanilide
N-Benzoyl-D-arginine-4-nitroanilide
ME501098
-
C04303
1.394
-
N-Benzylformamide
N-benzylformamide
ME493479
-
C15561
1.63825
-
N-Benzylformamide +1.284
N-benzylformamide
ME501099
-
C15561
1.284
-
N-Benzylformamide -4.485
N-benzylformamide
ME501100
-
C15561
4.485
-
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME493480
-
C03710
1.6245
-
N-Benzyloxycarbonylglycine +1.391
N-Benzyloxycarbonylglycine
ME501101
-
C03710
1.391
-
N-Benzyloxycarbonylglycine -3.06875
N-Benzyloxycarbonylglycine
ME493481
-
C03710
3.06875
-
N-Benzyloxycarbonylglycine +3.0773335
N-Benzyloxycarbonylglycine
ME494416
-
C03710
3.0773335
-
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
ME492343
-
C15344
1.3706666
-
n-Butyl-2-cyanoacrylate
-
ME493482
-
C13415
1.3965
-
n-Butyl-2-cyanoacrylate +1.6370001
-
ME496221
-
C13415
1.6370001
-
n-Butyl-2-cyanoacrylate +1.651
-
ME496222
-
C13415
1.651
-
n-Butyl-2-cyanoacrylate +1.666
-
ME501102
-
C13415
1.666
-
n-Butyl-2-cyanoacrylate +6.4513335
-
ME494417
-
C13415
6.4513335
-
n-Butylbenzene
-
ME491495
-
C18150
10.134778
-
n-Butylbenzene +10.222
-
ME501103
-
C18150
10.222
-
n-Butylbenzene +10.38575
-
ME493483
-
C18150
10.38575
-
n-Butylbenzene +10.398
-
ME501104
-
C18150
10.398
-
n-Butylbenzene +10.4405
-
ME496223
-
C18150
10.4405
-
n-Butylbenzene +10.44509
-
ME491179
-
C18150
10.44509
-
N-Butylscopolamine metabolite
-
ME490950
-
-
7.5394616
-
N-Carboxyethyl-?-aminobutyric acid
-
ME490554
-
-
1.1261877
-
N-Carboxyethyl-?-aminobutyric acid +1.3954545
-
ME491180
-
-
1.3954545
-
N-Carboxyethyl-?-aminobutyric acid +1.402
-
ME501105
-
-
1.402
-
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone
-
ME491341
-
-
14.0929
-
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone +10.4...
-
ME501106
-
-
10.459
-
N-Cyclohexylformamide
N-Cyclohexylformamide
ME501107
-
C11519
1.188
-
N-Cyclohexylformamide +1.4231818
N-Cyclohexylformamide
ME491181
-
C11519
1.4231818
-
N-Cyclohexylformamide +1.6286362
N-Cyclohexylformamide
ME491182
-
C11519
1.6286362
-
N-Cyclohexylformamide +1.6875
N-Cyclohexylformamide
ME492344
-
C11519
1.6875
-
N-Cyclohexylformamide +2.7629998
N-Cyclohexylformamide
ME493484
-
C11519
2.7629998
-
N-Cyclohexylformamide +2.777
N-Cyclohexylformamide
ME501108
-
C11519
2.777
-
N-Cyclohexylformamide +3.892
N-Cyclohexylformamide
ME494418
-
C11519
3.892
-
N-Cyclopropylammeline
-
ME501109
-
C14148
3.065
-
N-Dealkylzuclopenthixol
-
ME501110
-
-
3.709
-
N-Dealkylzuclopenthixol sulfoxide
-
ME501111
-
-
1.32
-
N-decanoyl-L-Homoserine lactone
-
ME491993
-
-
4.6920004
-
N-depyridomethyl-Indinavir
-
ME493485
-
-
7.34925
-
N-depyridomethyl-Indinavir +7.395
-
ME501112
-
-
7.395
-
N-depyridomethyl-Indinavir +8.33
-
ME501113
-
-
8.33
-
N-Desmethylclobazam
-
ME501114
-
-
3.43
-
N-Desmethyldiphenhydramine
-
ME501115
-
-
1.397
-
N-Desmethylmifepristone (RU 42633)
-
ME501116
-
-
8.196
-
N-Desmethylmifepristone (RU 42633) +5.66
-
ME501117
-
-
5.66
-
N-Desmethyltamoxifen
-
ME494419
-
C16546
6.1200004
-
N-Desmethyltolmetin
-
ME492345
-
-
4.8136663
-
N-Desmethyltolmetin +3.46
-
ME501118
-
-
3.46
-
N-Desmethyltolmetin +3.8516667
-
ME494420
-
-
3.8516667
-
N-Desmethyltrifluoperazine
-
ME501119
-
-
3.33
-
N-Desmethylzafirlukast
-
ME491342
-
-
3.4289002
-
N-Desmethylzafirlukast -3.4147277
-
ME491183
-
-
3.4147277
-
N-Despropylpergolide
-
ME494421
-
-
3.2450001
-
N-Despropylpergolide +1.279
-
ME501120
-
-
1.279
-
N-Despropylpergolide +3.454
-
ME501121
-
-
3.454
-
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME492346
-
C03142
1.0120001
-
N-D-Glucosylarylamine +1.403
N-D-Glucosylarylamine
ME494422
-
C03142
1.403
-
N-D-Glucosylarylamine +3.184
N-D-Glucosylarylamine
ME501122
-
C03142
3.184
-
N-D-Glucosylarylamine +3.572
N-D-Glucosylarylamine
ME501123
-
C03142
3.572
-
N-Didesethylquinagolide sulfate
-
ME501124
-
-
1.086
-
N-[(diphenylmethoxy)acetyl]-Glutamine
-
ME494408
-
-
4.8696666
-
N-[(diphenylmethoxy)acetyl]-Glutamine +4.945
-
ME493473
-
-
4.945
-
N-docosahexaenoyl glutamic acid
N-Docosahexaenoyl glutamic acid
ME496224
-
-
6.1035004
-
N-docosahexaenoyl glutamic acid +6.41
N-Docosahexaenoyl glutamic acid
ME492842
-
-
6.41
-
N-docosahexaenoyl histidine
N-Docosahexaenoyl histidine
ME494423
-
-
6.6683335
-
N-docosanoyl taurine
N-Docosanoyl taurine
ME496225
-
-
7.784
-
N-D-Ribosylpurine
Nebularine
ME492347
-
C15586
1.0595001
-
N-D-Ribosylpurine +1.061
Nebularine
ME501125
-
C15586
1.061
-
N-D-Ribosylpurine -1.0706
Nebularine
ME492843
-
C15586
1.0706
-
N-D-Ribosylpurine +1.108
Nebularine
ME491994
-
C15586
1.108
-
N-D-Ribosylpurine +1.151
Nebularine
ME491995
-
C15586
1.151
-
N-D-Ribosylpurine +1.2583333
Nebularine
ME494424
-
C15586
1.2583333
-
N-D-Ribosylpurine -3.0763333
Nebularine
ME492348
-
C15586
3.0763333
-
N-D-Ribosylpurine +3.0880911
Nebularine
ME491184
-
C15586
3.0880911
-
N-D-Ribosylpurine -3.5293334
Nebularine
ME494425
-
C15586
3.5293334
-
Neamine (Neomycin A)
Neamine
ME501126
-
C01441
1.332
-
Nebramycin factor 5'
-
ME496226
-
C18001
5.5775003
-
Nebramycin factor 5' +5.446
-
ME501127
-
C18001
5.446
-
Nebramycin factor 5' +5.997
-
ME501128
-
C18001
5.997
-
Nedocromil
Nedocromil
ME496227
-
C07255
4.9515
-
Nefazodone
Nefazodone
ME496228
-
C07256
6.6604996
-
Nefazodone +7.0240006
Nefazodone
ME491996
-
C07256
7.0240006
-
Nefazodone +7.093
Nefazodone
ME492844
-
C07256
7.093
-
Nefopam
-
ME496229
-
-
3.1615
-
Nefopam +3.677
-
ME496230
-
-
3.677
-
Nefopam +3.829
-
ME496231
-
-
3.829
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME496232
-
C02728
1.3935001
-
Neocnidilide
Neocnidilide
ME501129
-
C17002
6.223
-
Neocnidilide -9.902
Neocnidilide
ME501130
-
C17002
9.902
-
Neoilludin A
-
ME490730
-
C19956
6.095267
-
Neoilludin A +4.488
-
ME501131
-
C19956
4.488
-
Neoilludin A -6.088667
-
ME492349
-
C19956
6.088667
-
Neoilludin A +6.127
-
ME493486
-
C19956
6.127
-
Neoilludin A +6.1773334
-
ME494426
-
C19956
6.1773334
-
Neoilludin A +6.2085004
-
ME491059
-
C19956
6.2085004
-
Neoilludin A -6.2244997
-
ME496233
-
C19956
6.2244997
-
Neoilludin A +6.4639997
-
ME491997
-
C19956
6.4639997
-
Neoilludin A -6.808
-
ME501132
-
C19956
6.808
-
Neoisostegane
-
ME501133
-
C10707
8.332
-
Neolinderatone
-
ME494427
-
-
12.349999
-
Neolinderatone +12.375583
-
ME491060
-
-
12.375583
-
Neolinustatin
-
ME501134
-
C08336
1.628
-
(+)-Neomenthol
-
ME496594
-
C00553
9.241
-
Neostigmine
Neostigmine
ME501135
-
C07258
3.431
-
Neurodazine
-
ME493487
-
-
9.36725
-
Neurodazine -9.8785
-
ME493488
-
-
9.8785
-
Neurosporaxanthin beta-D-glucopyranoside
-
ME501136
-
-
12.244
-
Neurosporaxanthin beta-D-glucopyranoside +12.27490...
-
ME491185
-
-
12.274909
-
N-Feruloylglycine
N-Feruloylglycine
ME501137
-
C02564
4.878
-
N-Feruloylglycine +3.534
N-Feruloylglycine
ME501138
-
C02564
3.534
-
N-Fluorenylacetamide
2-Acetamidofluorene
ME494428
-
C02778
1.3966666
-
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME491186
-
C19872
1.2449092
-
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine ...
-
ME496234
-
C19872
1.3135
-
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME496235
-
C03410
1.379
-
NH-DVal(NMe)-Val-OMe
-
ME496236
-
-
3.933
-
NH-DVal(NMe)-Val-OMe +1.7735
-
ME496237
-
-
1.7735
-
NH-DVal(NMe)-Val-OMe +1.872
-
ME496238
-
-
1.872
-
NH-DVal(NMe)-Val-OMe +4.8625
-
ME492350
-
-
4.8625
-
N-heptanoyl-homoserine lactone
N-Heptanoyl-homoserine lactone
ME501139
-
C11844
5.298
-
N-heptanoyl-homoserine lactone +5.69275
N-Heptanoyl-homoserine lactone
ME493489
-
C11844
5.69275
-
N-heptanoyl-homoserine lactone +5.802
N-Heptanoyl-homoserine lactone
ME501140
-
C11844
5.802
-
N-[[(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)amino]c...
-
ME501028
-
-
3.279
-
N-Hydroxy-1-aminonaphthalene
-
ME491496
-
C14789
3.265
-
N-Hydroxy-1-aminonaphthalene +3.565
-
ME501141
-
C14789
3.565
-
N-Hydroxy-L-phenylalanine
-
ME491728
-
C19712
1.31625
-
N-Hydroxy-L-phenylalanine +0.948
-
ME501142
-
C19712
0.948
-
N-Hydroxy-L-phenylalanine +1.1408001
-
ME492845
-
C19712
1.1408001
-
N-Hydroxy-L-phenylalanine -1.6285456
-
ME491187
-
C19712
1.6285456
-
N-Hydroxy-L-phenylalanine +1.631
-
ME501143
-
C19712
1.631
-
N-Hydroxy-L-phenylalanine +1.6356001
-
ME492846
-
C19712
1.6356001
-
N-Hydroxy-L-phenylalanine +1.656
-
ME501144
-
C19712
1.656
-
N-Hydroxy-L-phenylalanine +4.289
-
ME501145
-
C19712
4.289
-
N-Hydroxy-L-phenylalanine +5.05
-
ME501146
-
C19712
5.05
-
N-Hydroxy-L-phenylalanine +5.4277143
-
ME491998
-
C19712
5.4277143
-
N-Hydroxy-L-phenylalanine +5.798
-
ME501147
-
C19712
5.798
-
N-Hydroxy-L-phenylalanine +5.7980003
-
ME491343
-
C19712
5.7980003
-
N-Hydroxy-L-phenylalanine +5.861
-
ME492351
-
C19712
5.861
-
N-Hydroxy-L-phenylalanine +6.422
-
ME501148
-
C19712
6.422
-
N-Hydroxynorcocaine
-
ME491344
-
-
9.905
-
N-Hydroxynorcocaine +1.177
-
ME501149
-
-
1.177
-
N-Hydroxypentobarbital
-
ME494429
-
-
3.6686668
-
N-Hydroxypentobarbital +1.138
-
ME501150
-
-
1.138
-
N-Hydroxypentobarbital +1.637
-
ME501151
-
-
1.637
-
Nicotinamide riboside
Nicotinamide riboside
ME496239
-
C03150
4.5165
-
Nicotinamide riboside +5.058
Nicotinamide riboside
ME501152
-
C03150
5.058
-
Nicotinate D-ribonucleoside
D-Ribosylnicotinate
ME490951
-
C05841
1.2280769
-
Nicotinate D-ribonucleoside +1.212
D-Ribosylnicotinate
ME494430
-
C05841
1.212
-
Nicotinate D-ribonucleoside +1.3483334
D-Ribosylnicotinate
ME494431
-
C05841
1.3483334
-
Nicotinate D-ribonucleoside +3.493
D-Ribosylnicotinate
ME501153
-
C05841
3.493
-
Nicotinate D-ribonucleoside +3.54
D-Ribosylnicotinate
ME501154
-
C05841
3.54
-
Niddamycin
-
ME496240
-
C12152
0.893
-
Nigerose (Sakebiose)
Nigerose
ME501155
-
C01518
1.161
-
Niguldipine
-
ME496241
-
C11236
6.916
-
Nimustine
-
ME496242
-
-
1.609
-
Niridazole
-
ME493490
-
C19268
0.91999996
-
N-Isopropylterephthalaldehydamide
-
ME501156
-
-
5.837
-
N-isovalerylglycine
Isovalerylglycine
ME492352
-
-
4.204
-
N-isovalerylglycine +1.016
Isovalerylglycine
ME501157
-
-
1.016
-
N-isovalerylglycine +1.172
Isovalerylglycine
ME494432
-
-
1.172
-
N-isovalerylglycine +1.2456
Isovalerylglycine
ME492847
-
-
1.2456
-
N-isovalerylglycine +1.3922
Isovalerylglycine
ME492848
-
-
1.3922
-
N-isovalerylglycine -3.5895
Isovalerylglycine
ME496243
-
-
3.5895
-
Nitenpyram
-
ME501158
-
C18511
3.941
-
Nitramine
N-Methyl-N-picrylnitramine
ME494433
-
C10163
4.2479997
-
Nitramine +4.4566
N-Methyl-N-picrylnitramine
ME492849
-
C10163
4.4566
-
Nitramine +4.4595003
N-Methyl-N-picrylnitramine
ME496244
-
C10163
4.4595003
-
Nitramine +5.004
N-Methyl-N-picrylnitramine
ME501159
-
C10163
5.004
-
Nitrapyrin
-
ME501160
-
C18751
1.673
-
Nitrilacarb
-
ME501161
-
C18954
0.93
-
Nitrilacarb +4.093
-
ME501162
-
C18954
4.093
-
Nitroprusside
-
ME496245
-
C07269
0.701
-
Nitrothal-isopropyl
-
ME501163
-
C18873
4.014
-
Nitrothal-isopropyl +3.874
-
ME501164
-
C18873
3.874
-
Nizatidine
Nizatidine
ME501165
-
C07270
10.819
-
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylh...
-
ME501168
-
-
6.787
-
N-Methylanthranilic Acid
2-(Methylamino)benzoic acid
ME491061
-
C03005
1.0490001
-
N-Methylanthranilic Acid +1.3094
2-(Methylamino)benzoic acid
ME492850
-
C03005
1.3094
-
N-Methylanthranilic Acid -3.841
2-(Methylamino)benzoic acid
ME501169
-
C03005
3.841
-
N-Methylanthranilic Acid +3.8565998
2-(Methylamino)benzoic acid
ME492851
-
C03005
3.8565998
-
N-methyl-Gabapentin
-
ME494434
-
-
7.318334
-
N-methyl-Gabapentin +0.868
-
ME501170
-
-
0.868
-
N-methyl-Gabapentin +4.193
-
ME501171
-
-
4.193
-
N-methyl hexanamide
N-Methyl hexanamide
ME501166
-
-
0.863
-
N-methyl hexanamide +0.867
N-Methyl hexanamide
ME501167
-
-
0.867
-
N-Methyl-L-alanine
N-Methylalanine
ME491729
-
C02721
0.93900007
-
N-Methylpelletierine
Methylisopelletierine
ME501172
-
C06184
5.571
-
N-Methylpelletierine +3.582
Methylisopelletierine
ME494435
-
C06184
3.582
-
N-Methylpelletierine +3.6337144
Methylisopelletierine
ME491999
-
C06184
3.6337144
-
N-Methylpelletierine +3.639
Methylisopelletierine
ME492852
-
C06184
3.639
-
N-Methylpelletierine +3.828
Methylisopelletierine
ME501173
-
C06184
3.828
-
N-Methylpelletierine +3.909
Methylisopelletierine
ME501174
-
C06184
3.909
-
N-Methylpelletierine +4.096667
Methylisopelletierine
ME494436
-
C06184
4.096667
-
N-Methylpelletierine +4.099
Methylisopelletierine
ME501175
-
C06184
4.099
-
N-Methylpelletierine +4.819
Methylisopelletierine
ME501176
-
C06184
4.819
-
N-methylundec-10-enamide
-
ME490555
-
-
10.444187
-
N-methylundec-10-enamide +6.143
-
ME501177
-
-
6.143
-
N-methylundec-10-enamide -7.809153
-
ME490952
-
-
7.809153
-
N,N'-Diacetylbenzidine
-
ME496185
-
C19217
1.3815
-
N,N-Didemethyldiphenhydramine
-
ME496186
-
-
4.2975
-
N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H...
-
ME493472
-
C15328
5.4055
-
N,N-Diethylphenylacetamide
-
ME496187
-
C10938
2.9865
-
N,N-Diethylphenylacetamide +3.355
-
ME501010
-
C10938
3.355
-
N,N-Diethylphenylacetamide +3.411
-
ME501011
-
C10938
3.411
-
N,N-Diethylphenylacetamide +3.7833335
-
ME494405
-
C10938
3.7833335
-
N,N-Diethylphenylacetamide +8.735462
-
ME490948
-
C10938
8.735462
-
N,N-Dihydroxy-L-phenylalanine
-
ME490949
-
C19715
1.3349229
-
N,N-Dihydroxy-L-phenylalanine +1.63
-
ME496188
-
C19715
1.63
-
N,N-Dihydroxy-L-tryptophan
-
ME496189
-
C19717
1.871
-
N,N-Dihydroxy-L-tryptophan +3.882
-
ME496190
-
C19717
3.882
-
N,N-Dihydroxy-L-tyrosine
N,N-Dihydroxy-tyrosine
ME501012
-
C15503
1.388
-
N,N-Dihydroxy-L-tyrosine +1.3989999
N,N-Dihydroxy-tyrosine
ME496191
-
C15503
1.3989999
-
N,N-Dihydroxy-L-tyrosine -3.375
N,N-Dihydroxy-tyrosine
ME501013
-
C15503
3.375
-
N,N-Dimethyl-1,4-phenylenediamine
N,N-Dimethyl-1,4-phenylenediamine
ME501014
-
C04203
1.643
-
N,N-Dimethyl-4-nitrosoaniline
N,N-Dimethyl-4-nitrosoaniline
ME496192
-
C19680
1.6205001
-
N,N-Dimethyl-4-nitrosoaniline +1.398
N,N-Dimethyl-4-nitrosoaniline
ME501015
-
C19680
1.398
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME492833
-
C04259
0.9224
-
N,N-dimethylhistidine +3.05
N,N-Dimethylhistidine
ME501016
-
C04259
3.05
-
N'-Nitrosoanabasine
-
ME490556
-
C19477
9.453625
-
N'-Nitrosoanabasine +1.14
-
ME496246
-
C19477
1.14
-
N'-Nitrosoanabasine -13.427911
-
ME491188
-
C19477
13.427911
-
N'-Nitrosoanabasine -13.721999
-
ME490953
-
C19477
13.721999
-
N'-Nitrosoanabasine -14.092
-
ME494437
-
C19477
14.092
-
N'-Nitrosoanabasine -9.5245
-
ME493491
-
C19477
9.5245
-
N'-Nitrosoanabasine -9.708
-
ME501178
-
C19477
9.708
-
N-Nitrosodi-n-butylamine
-
ME492000
-
C19277
3.0057142
-
N-Nitrosodi-n-propylamine
-
ME493492
-
C19279
1.26275
-
N-Nitrosoguvacine
-
ME496247
-
C19481
1.04
-
N-Nitrosoguvacoline
-
ME491062
-
C19482
1.0978334
-
N-Nitroso-N-methylurethane
-
ME496248
-
C19301
1.3195
-
N-Nitroso-N-methylurethane +0.914
-
ME501179
-
C19301
0.914
-
N-Nitroso-N-methylurethane +1.627
-
ME501180
-
C19301
1.627
-
N'-Nitrosonornicotine
N'-Nitrosonornicotine
ME496249
-
C16452
3.589
-
N-Nitrosoproline
N-Nitrosoproline
ME501181
-
C19485
1.387
-
N?,N?,N?-Trimethyllysine
N-6-Trimethyllysine
ME501025
-
C03793
3.263
-
N?,N?,N?-Trimethyllysine +0.90166664
N-6-Trimethyllysine
ME494407
-
C03793
0.90166664
-
N?,N?,N?-Trimethyllysine +1.4015
N-6-Trimethyllysine
ME496193
-
C03793
1.4015
-
N-nonanoyl-L-Homoserine lactone
-
ME494438
-
-
3.3326666
-
Nobilin
-
ME494439
-
C09518
6.007
-
Nobilin +7.143
-
ME501182
-
C09518
7.143
-
Nodakenin
-
ME501183
-
C09279
4.313
-
N,O-Didesmethylvenlafaxine
-
ME494406
-
-
5.8176665
-
N,O-Didesmethylvenlafaxine +5.287
-
ME501017
-
-
5.287
-
N,O-Didesmethylverapamil
-
ME501018
-
-
3.119
-
N,O-Didesmethylverapamil -10.5996
-
ME491339
-
-
10.5996
-
N,O-Didesmethylverapamil +7.03
-
ME501019
-
-
7.03
-
N,O-Didesmethylverapamil -7.321
-
ME501024
-
-
7.321
-
N,O-Didesmethylverapamil +7.33
-
ME501020
-
-
7.33
-
N,O-Didesmethylverapamil +7.488
-
ME501021
-
-
7.488
-
N,O-Didesmethylverapamil +7.568
-
ME501022
-
-
7.568
-
N,O-Didesmethylverapamil +7.643
-
ME501023
-
-
7.643
-
Nojirimycin
-
ME493493
-
C06763
0.96
-
N-oleoyl ethanolamine
Oleoyl-EA
ME491497
-
-
11.616444
-
N-oleoyl GABA
N-Oleoyl GABA
ME501184
-
-
12.875
-
N-oleoyl glutamic acid
N-Oleoyl glutamic acid
ME496250
-
-
8.3505
-
N-oleoyl glutamine
N-Oleoyl glutamine
ME501185
-
-
3.395
-
N-oleoyl glutamine -13.7211685
N-Oleoyl glutamine
ME491063
-
-
13.7211685
-
N-Oleoyl Glycine
N-Oleoyl glycine
ME501186
-
-
12.343
-
N-Oleoyl-L-Serine
NASer 18:1(9Z)
ME494440
-
-
12.329333
-
N-oleoyl phenylalanine
N-Oleoyl phenylalanine
ME501187
-
-
6.865
-
N-oleoyl phenylalanine +7.271
N-Oleoyl phenylalanine
ME501188
-
-
7.271
-
N-oleoyl tyrosine
N-Oleoyl tyrosine
ME496251
-
-
6.851
-
Nonate
Nonate
ME490557
-
-
6.2082505
-
Nonate +3.493
Nonate
ME501189
-
-
3.493
-
Nonate -3.863
Nonate
ME501191
-
-
3.863
-
Nonate -4.074
Nonate
ME501192
-
-
4.074
-
Nonate +4.092
Nonate
ME501190
-
-
4.092
-
Nonate -6.1909385
Nonate
ME490558
-
-
6.1909385
-
Nonoxynol-9
Nonoxynol-9
ME490954
-
-
12.224847
-
Norbixin
Norbixin
ME501193
-
C08608
5.344
-
Norcholestenol iodomethyl (131 I)
-
ME501194
-
C13547
4.603
-
Norcholestenol iodomethyl (131 I) +4.759
-
ME501195
-
C13547
4.759
-
Norcisapride
-
ME501196
-
-
1.626
-
Norcocaine nitroxide
-
ME491345
-
-
0.9419001
-
Norcocaine nitroxide +3.108
-
ME501197
-
-
3.108
-
Norcocaine nitroxide +4.256
-
ME501198
-
-
4.256
-
Norcodeine
Norcodeine
ME493494
-
-
4.8545
-
Norcodeine +3.648
Norcodeine
ME501199
-
-
3.648
-
Norcodeine +6.196
Norcodeine
ME501200
-
-
6.196
-
Nordihydrocodeine
-
ME492853
-
-
6.4642
-
Nordihydrocodeine +6.5
-
ME494441
-
-
6.5
-
Norepinephrine sulfate
Norepinephrine sulfate
ME494442
-
-
1.39
-
Norethindrone
Norethindrone
ME496252
-
C05028
5.7955
-
Norfloxacin
Norfloxacin
ME501201
-
C06687
3.609
-
Norgestimate
-
ME501202
-
-
5.313
-
Norketamine
-
ME501203
-
-
0.958
-
Normeperidinic acid
Normeperidinicacid
ME494443
-
-
1.4006667
-
Normeperidinic acid +0.937
Normeperidinicacid
ME501204
-
-
0.937
-
Normeperidinic acid +1.621
Normeperidinicacid
ME501205
-
-
1.621
-
Normeperidinic acid glucuronide
-
ME492353
-
-
3.2495003
-
Normeperidinic acid glucuronide +0.884
-
ME501206
-
-
0.884
-
Normeperidinic acid glucuronide +1.62
-
ME501207
-
-
1.62
-
Normeperidinic acid glucuronide +3.076
-
ME501208
-
-
3.076
-
Normeperidinic acid glucuronide +3.088
-
ME494444
-
-
3.088
-
Normetanephrine sulfate
-
ME494445
-
-
5.388334
-
Normorphine 3-glucuronide
-
ME501209
-
-
4.263
-
Noroxymorphone
-
ME496253
-
-
3.6925
-
Norselic acid E
-
ME493495
-
-
10.1397505
-
Northienamycin
-
ME501210
-
C17369
3.41
-
Noruron
-
ME490731
-
C19111
3.3713999
-
Noruron +4.244
-
ME496254
-
C19111
4.244
-
Norvisnagin
-
ME501211
-
C17843
0.996
-
Nostocyclopeptide A1
-
ME494446
-
C15723
0.891
-
N-palmitoyl glycine
N-Palmitoyl glycine
ME496255
-
-
12.5665
-
N-palmitoyl threonine
N-Palmitoyl threonine
ME494447
-
-
6.7893333
-
NPC
-
ME501212
-
C16543
10.004
-
n-Pentadecylamine
N-Pentadecylamine
ME501213
-
-
10.517
-
n-Pentadecylamine +10.276751
N-Pentadecylamine
ME491730
-
-
10.276751
-
N-Phenyl-2-naphthylamine
-
ME494448
-
C14694
2.7110002
-
N-(Phenylmethyl)-N-methyl-2-pyridinamine
-
ME491338
-
C15141
1.3978999
-
N-(Phenylmethyl)-N-methyl-2-pyridinamine +1.405
-
ME501009
-
C15141
1.405
-
n-Propyl gallate
-
ME501214
-
C11155
6.466
-
n-Propyl gallate +3.068
-
ME496256
-
C11155
3.068
-
n-Propyl gallate +3.4695
-
ME496257
-
C11155
3.4695
-
n-Propyl gallate -3.669
-
ME501215
-
C11155
3.669
-
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
-
ME501216
-
C11467
4.121
-
NS-5
-
ME501217
-
C17368
4.986
-
NSC 23766
-
ME493496
-
-
6.6657495
-
NSC 23766 +6.6975
-
ME496258
-
-
6.6975
-
N-stearoyl glutamic acid
N-Stearoyl glutamic acid
ME491498
-
-
12.345333
-
N-stearoyl glutamic acid +12.266999
N-Stearoyl glutamic acid
ME494449
-
-
12.266999
-
N-stearoyl glutamine
N-Stearoyl glutamine
ME491731
-
-
13.197624
-
N-stearoyl glutamine +13.283666
N-Stearoyl glutamine
ME494450
-
-
13.283666
-
N-stearoyl glutamine +9.354
N-Stearoyl glutamine
ME501218
-
-
9.354
-
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME491064
-
-
6.643334
-
N-stearoyl tyrosine +6.865071
N-Stearoyl tyrosine
ME490850
-
-
6.865071
-
N-stearoyl tyrosine +7.271
N-Stearoyl tyrosine
ME501219
-
-
7.271
-
N-stearoyl tyrosine +7.4405003
N-Stearoyl tyrosine
ME496259
-
-
7.4405003
-
N-stearoyl valine
N-Stearoyl valine
ME490732
-
-
13.348999
-
N-stearoyl valine +13.3745
N-Stearoyl valine
ME493497
-
-
13.3745
-
N-stearoyl valine +13.384155
N-Stearoyl valine
ME490955
-
-
13.384155
-
N-stearoyl valine +13.434556
N-Stearoyl valine
ME491499
-
-
13.434556
-
N-stearoyl valine +13.541
N-Stearoyl valine
ME496260
-
-
13.541
-
N-tert-Butyloxycarbonyl-deacetyl-leupeptin
-
ME496261
-
C11604
8.895
-
N-tetradecanoyl-L-Homoserine lactone
-
ME493498
-
-
9.257
-
N-tetradecanoyl-L-Homoserine lactone +9.4875
-
ME496262
-
-
9.4875
-
N-tetradecanoyl-L-Homoserine lactone +9.953
-
ME494451
-
-
9.953
-
N-tridecanoyl-L-Homserine lactone
-
ME496263
-
-
7.816
-
NU 7026
-
ME501220
-
-
1.097
-
NU 7026 -7.365
-
ME501222
-
-
7.365
-
NU 7026 +7.377
-
ME501221
-
-
7.377
-
N-undecanoyl-L-Homoserine lactone
-
ME501223
-
-
5.197
-
N-undecanoyl-L-Homoserine lactone +4.742
-
ME501224
-
-
4.742
-
N-undecanoyl-L-Homoserine lactone +5.351
-
ME496264
-
-
5.351
-
N-undecanoyl-L-Homoserine lactone +6.4849997
-
ME496265
-
-
6.4849997
-
Nupharamine
-
ME501225
-
C17464
3.832
-
Nupharamine +4.077
-
ME501226
-
C17464
4.077
-
Nupharidine
-
ME491732
-
C17463
8.781
-
Nupharidine +6.19
-
ME501227
-
C17463
6.19
-
NVP-BEZ235
-
ME496266
-
-
3.3175
-
Nylidrin
NYLIDRIN
ME496267
-
-
4.494
-
O-11
-
ME501230
-
-
7.206
-
O6-Methyl-2'-deoxyguanosine
-
ME496270
-
C05031
1.698
-
O6-Methyl-2'-deoxyguanosine +0.93050003
-
ME496271
-
C05031
0.93050003
-
O6-Methyl-2'-deoxyguanosine +1.845
-
ME501231
-
C05031
1.845
-
O-Acetylcypholophine
-
ME494452
-
C10564
7.3063335
-
O-Acetylcypholophine -7.288
-
ME501232
-
C10564
7.288
-
O-Acetylcypholophine -7.308333
-
ME494453
-
C10564
7.308333
-
O-Acetylhomoserine
O-Acetyl-homoserine
ME492854
-
C01077
0.93079996
-
O-Acetylhomoserine -1.387
O-Acetyl-homoserine
ME501233
-
C01077
1.387
-
O-Acetylhomoserine +1.844
O-Acetyl-homoserine
ME494454
-
C01077
1.844
-
Obacunone
Obacunone
ME501234
-
C08775
8.27
-
Obliquine
Obliquine
ME501235
-
C12183
7.8
-
Obtusilic acid
-
ME491500
-
-
5.215
-
Obtusilic acid +13.010667
-
ME494455
-
-
13.010667
-
Obtusilic acid +9.433333
-
ME494456
-
-
9.433333
-
O-butanoyl-carnitine
CAR 4:0
ME491346
-
C02862
5.1330996
-
O-butanoyl-carnitine +1.62
CAR 4:0
ME501236
-
C02862
1.62
-
Ochotensine
-
ME490733
-
C09597
10.913133
-
Ochotensine -10.978726
-
ME491189
-
C09597
10.978726
-
Ochotensine -11.166909
-
ME491190
-
C09597
11.166909
-
Octanoic acid, 3-amino-, (1)-
-
ME491347
-
-
1.6302
-
Octanoic acid, 3-amino-, (1)- +1.4785
-
ME496272
-
-
1.4785
-
Octanoic acid, 3-amino-, (1)- +4.614
-
ME501237
-
-
4.614
-
Octanoylglucuronide
-
ME501238
-
C03033
3.424
-
Octhilinone
-
ME490559
-
C18752
9.988062
-
Octocrylene
Octocrylene
ME492855
-
-
12.8328
-
Octopine
Octopine
ME496273
-
C04137
1.0565
-
Octylamine
Octylamine
ME492354
-
C01740
4.8936663
-
Octylamine +4.911857
Octylamine
ME492001
-
C01740
4.911857
-
O-Desacetylcephalothin
-
ME496274
-
-
3.2624998
-
O-Desmethylquinidine glucuronide
-
ME492355
-
-
9.6005
-
O-Desmethylvenlafaxine
Desvenlafaxine
ME501239
-
-
5.404
-
O-Desmethylverapamil
-
ME501240
-
-
7.594
-
O-Desmethylverapamil +7.677
-
ME501241
-
-
7.677
-
O-Desmethylverapamil +7.807
-
ME496275
-
-
7.807
-
O-Desmethylverapamil +8.068
-
ME501242
-
-
8.068
-
O-?-D-Glucosylzeatin
-
ME501228
-
C03423
1.398
-
O-?-D-Xylosylzeatin
O-beta-D-Xylosylzeatin
ME493499
-
C03300
3.2277498
-
O-?-D-Xylosylzeatin +1.091
O-beta-D-Xylosylzeatin
ME501229
-
C03300
1.091
-
O-?-D-Xylosylzeatin +1.383
O-beta-D-Xylosylzeatin
ME496268
-
C03300
1.383
-
O-?-D-Xylosylzeatin +1.6285
O-beta-D-Xylosylzeatin
ME496269
-
C03300
1.6285
-
Olanzapine
Olanzapine
ME492356
-
C07322
1.6309999
-
Olanzapine -1.62
Olanzapine
ME496278
-
C07322
1.62
-
Olanzapine +1.6516666
Olanzapine
ME492357
-
C07322
1.6516666
-
Olanzapine +1.68
Olanzapine
ME501243
-
C07322
1.68
-
Olanzapine +1.8765
Olanzapine
ME496276
-
C07322
1.8765
-
Olanzapine +2.24
Olanzapine
ME501244
-
C07322
2.24
-
Olanzapine +2.515
Olanzapine
ME501245
-
C07322
2.515
-
Olanzapine +3.1304998
Olanzapine
ME496277
-
C07322
3.1304998
-
Olanzapine -3.1675
Olanzapine
ME493500
-
C07322
3.1675
-
Olanzapine +3.1714
Olanzapine
ME492856
-
C07322
3.1714
-
Olanzapine -3.2
Olanzapine
ME501246
-
C07322
3.2
-
Oleamide
Oleamide
ME490560
-
-
13.051688
-
Oleandomycin
Oleandomycin
ME501247
-
-
6.075
-
Oleoyl Ethyl Amide
Oleoyl-EA
ME496279
-
-
13.644501
-
Oligomycin B
Oligomycin B
ME496280
-
C11312
9.710501
-
Oligomycin B -10.588272
Oligomycin B
ME491191
-
C11312
10.588272
-
Olivacine
Olivacine
ME501248
-
C09230
5.693
-
Olivacine +3.674
Olivacine
ME501249
-
C09230
3.674
-
Olomoucine
-
ME492002
-
-
6.1715713
-
Olomoucine +1.6377499
-
ME493501
-
-
1.6377499
-
Olomoucine +1.683
-
ME496281
-
-
1.683
-
Olomoucine +3.472
-
ME501250
-
-
3.472
-
Olomoucine +3.5513332
-
ME494457
-
-
3.5513332
-
Olprinone
Olprinone hydrochloride
ME496282
-
C13546
4.1245
-
Olprinone +1.86
Olprinone hydrochloride
ME501251
-
C13546
1.86
-
Olprinone +2.986
Olprinone hydrochloride
ME501252
-
C13546
2.986
-
Olprinone +3.185
Olprinone hydrochloride
ME501253
-
C13546
3.185
-
omega-3-Arachidonic acid
omega-3-Arachidonic acid
ME501254
-
-
11.561
-
omega-Carboxy-N-acetyl-LTE4
-
ME496283
-
C11629
7.2565002
-
omega-Carboxy-N-acetyl-LTE4 -7.759
-
ME501255
-
C11629
7.759
-
omega-Carboxy-N-acetyl-LTE4 -7.8594995
-
ME492358
-
C11629
7.8594995
-
omega-Carboxy-N-acetyl-LTE4 -7.876
-
ME501256
-
C11629
7.876
-
Omethoate
Omethoate
ME501257
-
C18662
1.388
-
Onchidal
-
ME490561
-
C20000
11.709251
-
Onchidal +9.342
-
ME501258
-
C20000
9.342
-
Onchidal +9.473535
-
ME490734
-
C20000
9.473535
-
Ondansetron
Ondansetron
ME501259
-
C07325
1.631
-
Onitin
-
ME493502
-
-
11.446751
-
O-Phosphoviomycin
O-Phosphoviomycin
ME501260
-
C02574
1.395
-
ORG 20599
ORG 20599
ME501261
-
C13804
10.134
-
Ornithine
Ornithine
ME492003
-
C01602
3.4264286
-
Orsellinic Acid, Ethyl Ester
-
ME496284
-
-
5.0755
-
Orsellinic Acid, Ethyl Ester +3.979
-
ME496285
-
-
3.979
-
ortho-Aminoazotoluene
-
ME494458
-
C19188
0.94
-
ortho-Aminoazotoluene +4.1015
-
ME493503
-
C19188
4.1015
-
Orthoform
-
ME491501
-
C14171
1.2694446
-
Orthoform +1.0103333
-
ME492359
-
C14171
1.0103333
-
Orthoform +1.400625
-
ME491733
-
C14171
1.400625
-
Orthoform +3.3585
-
ME496286
-
C14171
3.3585
-
Orthothymotinic Acid
-
ME491348
-
-
6.9339
-
Orthothymotinic Acid -8.804187
-
ME490562
-
-
8.804187
-
Oscillatoxin A
-
ME501262
-
C16771
7.993
-
Oscillatoxin A -8.072
-
ME501263
-
C16771
8.072
-
Oscillatoxin A -8.42
-
ME501264
-
C16771
8.42
-
Oscillatoxin A -8.547
-
ME501265
-
C16771
8.547
-
Oseltamivir
Oseltamivir
ME496287
-
C08092
5.5975
-
Osthol
Osthole
ME501266
-
C09280
1.398
-
OTK
-
ME501267
-
-
5.813
-
Otonecine
Otonecine
ME491065
-
C10356
1.6239165
-
Otonecine +1.3889999
Otonecine
ME494459
-
C10356
1.3889999
-
Otonecine +3.831
Otonecine
ME501268
-
C10356
3.831
-
Otonecine -5.4885
Otonecine
ME496288
-
C10356
5.4885
-
Otonecine +5.5015006
Otonecine
ME491734
-
C10356
5.5015006
-
Ovaliflavanone B
-
ME501269
-
-
1.282
-
Ovaliflavanone B +1.395
-
ME501270
-
-
1.395
-
Ovaliflavanone C
-
ME496289
-
-
1.3989999
-
o-Veratraldehyde
-
ME493504
-
-
5.6049995
-
Oxadixyl
-
ME491349
-
C18753
3.6567001
-
Oxaloglutarate
2-Oxaloglutaric acid
ME501271
-
C05533
2.45
-
Oxaloglutarate -2.508
2-Oxaloglutaric acid
ME501272
-
C05533
2.508
-
Oxaloglutarate -2.544
2-Oxaloglutaric acid
ME501273
-
C05533
2.544
-
Oxamflatin
-
ME501274
-
-
5.475
-
Oxandrolone
Oxandrolone
ME501275
-
C07346
7.256
-
Oxaprozin
-
ME501276
-
C07356
3.567
-
Oxaprozin +5.087
-
ME501277
-
C07356
5.087
-
Oxaprozin +5.122
-
ME501278
-
C07356
5.122
-
Oxfendazole
-
ME501279
-
-
4.525
-
Oxidized dinoflagellate luciferin
Oxidized dinoflagellate luciferin
ME501280
-
C19705
7.197
-
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME492004
-
C03527
1.0215714
-
Oxonic acid
-
ME501281
-
C15997
0.964
-
Oxprenolol glucuronide
-
ME501282
-
-
3.086
-
Oxyayanin-B
-
ME494460
-
C10116
4.396667
-
Oxyayanin-B -3.7849998
-
ME496290
-
C10116
3.7849998
-
o-Xylene
o-Xylene
ME501283
-
C07212
5.197
-
p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol
-
ME501284
-
C14897
3.409
-
PA(10:0/10:0)[U]
PA 10:0/10:0
ME501286
-
-
7.158
-
PA(12:0/0:0)
LPA 12:0/0:0*
ME494461
-
-
3.665
-
PA(12:0/0:0) +3.831
LPA 12:0/0:0*
ME493505
-
-
3.831
-
PA(12:0/20:4(5Z,8Z,11Z,14Z))
PA 12:0/20:4(5Z,8Z,11Z,14Z)*
ME501287
-
-
6.672
-
PA(13:0/18:3(6Z,9Z,12Z))
PA 13:0/18:3(6Z,9Z,12Z)*
ME492360
-
-
6.364
-
PA(13:0/18:4(6Z,9Z,12Z,15Z))
PA 13:0/18:4(6Z,9Z,12Z,15Z)*
ME501288
-
-
7.905
-
PA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA 13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501289
-
-
6.344
-
PA(14:0/12:0)
PA 14:0/12:0*
ME490851
-
-
11.627714
-
PA(17:0/22:0)
PA 17:0/22:0*
ME493506
-
-
0.90300006
-
PA(17:0/22:0) +13.736
PA 17:0/22:0*
ME492361
-
-
13.736
-
PA(18:2(9Z,12Z)/0:0)
PA 18:2(9Z,12Z)/0:0*
ME501290
-
-
9.38
-
PA(18:2(9Z,12Z)/0:0) +9.891
PA 18:2(9Z,12Z)/0:0*
ME501291
-
-
9.891
-
PA(18:2(9Z,12Z)/12:0)
PA 18:2(9Z,12Z)/12:0*
ME491066
-
-
12.288333
-
PA(18:2(9Z,12Z)/12:0) +12.2705
PA 18:2(9Z,12Z)/12:0*
ME496291
-
-
12.2705
-
PA(18:3(6Z,9Z,12Z)/0:0)
PA 18:3(6Z,9Z,12Z)/0:0*
ME501292
-
-
5.664
-
PA(19:0/0:0)
LPA 19:0/0:0*
ME496292
-
-
7.1844997
-
PA(19:1(9Z)/22:2(13Z,16Z))
PA 19:1(9Z)/22:2(13Z,16Z)*
ME491350
-
-
13.7335005
-
PA(19:3(10Z,13Z,16Z)/0:0)
PA 19:3(10Z,13Z,16Z)/0:0*
ME501293
-
-
1.048
-
PA(20:1(11Z)/14:0)
PA 20:1(11Z)/14:0*
ME501294
-
-
0.891
-
PA(20:2(11Z,14Z)/17:2(9Z,12Z))
PA 20:2(11Z,14Z)/17:2(9Z,12Z)*
ME501295
-
-
0.891
-
PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
PA 20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)*
ME501296
-
-
0.899
-
PA(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...
PA 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME492005
-
-
0.90171427
-
PA(21:0/0:0)
LPA 21:0/0:0*
ME501297
-
-
6.45
-
Paclobutrazol
-
ME493507
-
C18479
4.494
-
Paclobutrazol +4.311
-
ME501303
-
C18479
4.311
-
Paeonilactone C
-
ME501304
-
C17456
5.416
-
Palmitic amide
Palmitamide
ME494463
-
-
12.976334
-
Palmitoleoyl 3-carbacyclic Phosphatidic Acid
-
ME501305
-
-
5.385
-
Palmitoyl dopamine
-
ME501306
-
-
7.471
-
Palmitoyl dopamine +8.312
-
ME493508
-
-
8.312
-
Palmityl Trifluoromethyl Ketone
-
ME501307
-
-
4.598
-
Palmityl Trifluoromethyl Ketone +11.243333
-
ME492362
-
-
11.243333
-
Palmityl Trifluoromethyl Ketone -12.177333
-
ME494464
-
-
12.177333
-
Panaxynol
-
ME501308
-
C17447
11.474
-
Pandamine
-
ME492857
-
C10012
6.3918
-
Pandamine +6.2706666
-
ME494465
-
C10012
6.2706666
-
Pandaroside A
-
ME496295
-
-
10.0135
-
Panfuran S
-
ME501309
-
C19289
4.372
-
Panfuran S +0.973
-
ME501310
-
C19289
0.973
-
Pantetheine
Pantetheine
ME493509
-
C00831
4.4490004
-
Pantothenic Acid
Pantothenic acid
ME493510
-
C00864
1.3905
-
Pantothenic Acid -1.395
Pantothenic acid
ME501311
-
C00864
1.395
-
Pantothenic Acid -3.6637335
Pantothenic acid
ME490735
-
C00864
3.6637335
-
PA(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501298
-
-
0.892
-
PA(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +13.121
PA O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501299
-
-
13.121
-
PA(O-18:0/0:0)
PA O-18:0/0:0*
ME491351
-
-
10.272901
-
PA(O-18:0/18:4(6Z,9Z,12Z,15Z))
PA O-18:0/18:4(6Z,9Z,12Z,15Z)*
ME501300
-
-
0.891
-
PA(O-18:0/22:2(13Z,16Z))
PA O-18:0/22:2(13Z,16Z)*
ME496293
-
-
0.9045
-
PA(O-20:0/0:0)
PA O-20:0/0:0*
ME496294
-
-
7.7785
-
PA(O-20:0/14:0)
PA O-20:0/14:0
ME501301
-
-
0.889
-
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME490563
-
-
13.734438
-
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +0.8996666
PA O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME494462
-
-
0.8996666
-
PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PA P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME501302
-
-
0.892
-
para-Anisidine
-
ME493511
-
C19326
1.39975
-
para-Anisidine +1.6730001
-
ME496296
-
C19326
1.6730001
-
para-Anisidine +3.94
-
ME501312
-
C19326
3.94
-
para-Benzoquinone dioxime
-
ME491352
-
C19345
1.3972
-
para-Benzoquinone dioxime -1.385
-
ME492006
-
C19345
1.385
-
para-Benzoquinone dioxime -1.61925
-
ME493512
-
C19345
1.61925
-
para-Benzoquinone dioxime +1.626
-
ME491502
-
C19345
1.626
-
para-Cresidine
-
ME493513
-
C19216
1.22075
-
para-Cresidine +2.667
-
ME501313
-
C19216
2.667
-
para-Cresidine +3.2389998
-
ME493514
-
C19216
3.2389998
-
para-Nitrosodiphenylamine
-
ME493515
-
C19479
1.064
-
para-Phenylenediamine
-
ME490736
-
C19499
3.4272664
-
para-Phenylenediamine +0.869
-
ME501314
-
C19499
0.869
-
Parathion
Parathion
ME496297
-
C06604
0.9625
-
Pargyline
-
ME492363
-
C07414
0.91450006
-
Parishin C
-
ME490564
-
C17466
14.25175
-
Parrisaponin
-
ME501315
-
-
5.887
-
Parrisaponin -5.913
-
ME494466
-
-
5.913
-
Parsonsine
Parsonsine
ME501316
-
C10357
3.414
-
Patulin
-
ME492858
-
C16748
3.9294
-
Paucin
Paucin
ME501317
-
C09525
10.006
-
PC(0:0/8:0)[U]
LPC 0:0/8:0*
ME501318
-
-
0.892
-
PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
PC 18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*
ME496298
-
C00157
0.9055
-
PC(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PC 18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)*
ME492859
-
-
0.90220004
-
PC(8:0/7:0)[U]
PC 8:0/7:0*
ME496299
-
-
5.768
-
p-Chlorobenzenesulfonylurea
-
ME494468
-
-
0.83966666
-
PC(O-11:1(10E)/2:0)
PC O-11:1(10E)/2:0*
ME494467
-
-
5.5996666
-
PC(O-16:0/19:1(9Z))
PC O-16:0/19:1(9Z)*
ME490852
-
-
0.9046429
-
PC(O-18:0/O-18:0)[U]
-
ME501319
-
-
0.877
-
p-Coumaroylagmatine
-
ME496300
-
C04498
6.634
-
p-Coumaroylputrescine
-
ME492007
-
C18326
1.3964287
-
p-Coumaroylputrescine +1.3975
-
ME496301
-
C18326
1.3975
-
p-Coumaroylputrescine +1.404
-
ME501320
-
C18326
1.404
-
p-Coumaroylputrescine +1.574
-
ME494469
-
C18326
1.574
-
p-Coumaroylputrescine +3.5556667
-
ME494470
-
C18326
3.5556667
-
p-Coumaroylputrescine +3.809
-
ME501321
-
C18326
3.809
-
p-Coumaroylputrescine +4.201
-
ME501322
-
C18326
4.201
-
PD 98059
-
ME501323
-
-
3.227
-
PDM 11
-
ME492364
-
-
7.7665
-
PE(12:0/18:3(6Z,9Z,12Z))
PE 12:0/18:3(6Z,9Z,12Z)*
ME494471
-
-
7.235333
-
PE(13:0/0:0)
LPE 13:0/0:0*
ME496302
-
-
1.3875
-
PE(13:0/0:0) +5.539
LPE 13:0/0:0*
ME501324
-
-
5.539
-
PE(14:0/16:0)
PE 14:0/16:0
ME491736
-
-
0.89212507
-
PE(15:0/0:0)
LPE 15:0/0:0
ME501325
-
-
11.81
-
PE(15:1(9Z)/0:0)
PE 15:1(9Z)/0:0
ME494472
-
-
6.726667
-
PE(15:1(9Z)/0:0) +6.6435003
PE 15:1(9Z)/0:0
ME496303
-
-
6.6435003
-
PE(16:0/0:0)
LPE 16:0/0:0
ME501326
-
-
10.572
-
PE(16:0/22:6(54Z,7Z,10Z,12E,16Z,19Z)(14OH))
-
ME501327
-
-
0.895
-
PE(16:0/22:6(54Z,7Z,10Z,12E,16Z,19Z)(14OH)) -0.884
-
ME501328
-
-
0.884
-
PE(16:1(9Z)/0:0)
PE 16:1(9Z)/0:0
ME492365
-
-
5.525167
-
PE(16:1(9Z)/0:0) +5.642
PE 16:1(9Z)/0:0
ME501329
-
-
5.642
-
PE(18:1(9Z)/18:1(11Z))
PE 18:1(9Z)/18:1(11Z)*
ME490956
-
C00350
12.165076
-
PE(18:2(9Z,12Z)/0:0)
PE 18:2(9Z,12Z)/0:0*
ME492860
-
-
6.5424004
-
PE(18:2(9Z,12Z)/0:0) +6.386
PE 18:2(9Z,12Z)/0:0*
ME501330
-
-
6.386
-
PE(18:2(9Z,12Z)/0:0) -7.3719997
PE 18:2(9Z,12Z)/0:0*
ME496304
-
-
7.3719997
-
PE(18:3(6Z,9Z,12Z)/0:0)
PE 18:3(6Z,9Z,12Z)/0:0*
ME501331
-
-
6.361
-
PE(18:3(6Z,9Z,12Z)/16:0)
PE 18:3(6Z,9Z,12Z)/16:0*
ME501332
-
C00350
12.036
-
PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))
PE 18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)*
ME494473
-
C00350
0.8996666
-
PE(18:3(9Z,12Z,15Z)/15:0)
PE 18:3(9Z,12Z,15Z)/15:0*
ME492366
-
-
0.89033335
-
PE(18:3(9Z,12Z,15Z)/16:1(9Z))
PE 18:3(9Z,12Z,15Z)/16:1(9Z)*
ME501333
-
C00350
0.893
-
PE(18:4(6Z,9Z,12Z,15Z)/0:0)
PE 18:4(6Z,9Z,12Z,15Z)/0:0*
ME492861
-
-
6.8716
-
PE(18:4(6Z,9Z,12Z,15Z)/0:0) +5.34
PE 18:4(6Z,9Z,12Z,15Z)/0:0*
ME501334
-
-
5.34
-
PE(18:4(6Z,9Z,12Z,15Z)/0:0) -6.8562
PE 18:4(6Z,9Z,12Z,15Z)/0:0*
ME492862
-
-
6.8562
-
PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
PE 18:4(6Z,9Z,12Z,15Z)/16:1(9Z)*
ME501335
-
C00350
0.892
-
PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))
PE 18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)*
ME492008
-
C00350
6.0095716
-
PE(19:0/0:0)
LPE 19:0/0:0
ME492009
-
-
5.7467146
-
PE(19:0/0:0) +5.846
LPE 19:0/0:0
ME491353
-
-
5.846
-
PE(19:0/0:0) +5.978
LPE 19:0/0:0
ME493516
-
-
5.978
-
PE(19:1(9Z)/0:0)
PE 19:1(9Z)/0:0
ME491192
-
-
5.0840907
-
PE(20:3(8Z,11Z,14Z)/0:0)
PE 20:3(8Z,11Z,14Z)/0:0*
ME501336
-
-
6.004
-
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME491737
-
C00350
6.4386253
-
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +6.526...
PE 20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME491354
-
C00350
6.5261
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)*
ME490565
-
-
10.296187
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) -0.892
PE 20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)*
ME501337
-
-
0.892
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z)*
ME492367
-
-
5.657833
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)*
ME491503
-
-
5.842222
-
PE(22:1(11Z)/0:0)
PE 22:1(11Z)/0:0
ME501338
-
-
6.592
-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PE 22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)*
ME501339
-
C00350
0.902
-
PE(24:0/22:4(7Z,10Z,13Z,16Z))
PE 24:0/22:4(7Z,10Z,13Z,16Z)*
ME496305
-
C00350
13.723499
-
PE(24:0/22:4(7Z,10Z,13Z,16Z)) -13.430667
PE 24:0/22:4(7Z,10Z,13Z,16Z)*
ME494474
-
C00350
13.430667
-
PE(24:0/22:4(7Z,10Z,13Z,16Z)) -14.089
PE 24:0/22:4(7Z,10Z,13Z,16Z)*
ME501340
-
C00350
14.089
-
PE(9:0/9:0)[U]
PE 9:0/9:0
ME492368
-
-
5.667167
-
PE(9:0/9:0)[U] +5.7701426
PE 9:0/9:0
ME492010
-
-
5.7701426
-
PE(9:0/9:0)[U] +5.903
PE 9:0/9:0
ME496306
-
-
5.903
-
PE(9:0/9:0)[U] +6.47
PE 9:0/9:0
ME501341
-
-
6.47
-
Pederin
-
ME490566
-
C15760
6.9224367
-
Pederin +11.328334
-
ME494476
-
C15760
11.328334
-
Pederin +6.074167
-
ME492369
-
C15760
6.074167
-
pedilstatin
-
ME492012
-
C09143
8.2630005
-
pedilstatin -7.786667
-
ME494477
-
C09143
7.786667
-
Pelargonyl acetic acid
-
ME501348
-
-
8.356
-
Penciclovir
Penciclovir
ME496308
-
C07417
1.1935
-
Pencycuron
Pencycuron
ME501349
-
C11012
1.625
-
Pendimethalin
Pendimethalin
ME496309
-
C11019
4.073
-
Pendimethalin +3.811
Pendimethalin
ME501350
-
C11019
3.811
-
Pendimethalin +4.205
Pendimethalin
ME501351
-
C11019
4.205
-
Pendimethalin +6.202
Pendimethalin
ME501352
-
C11019
6.202
-
Penicillamine disulfide
-
ME501353
-
-
4.427
-
Penicillenic acid
-
ME496310
-
C11747
3.414
-
Penicillic acid
-
ME491355
-
C19495
1.3362
-
Penicillic acid -1.386
-
ME496312
-
C19495
1.386
-
Penicillic acid -3.082
-
ME501356
-
C19495
3.082
-
Penicillic acid +3.266
-
ME501354
-
C19495
3.266
-
Penicillic acid -3.512
-
ME501357
-
C19495
3.512
-
Penicillic acid +3.524
-
ME496311
-
C19495
3.524
-
Penicillic acid +3.532
-
ME501355
-
C19495
3.532
-
Penicillic acid -3.6166668
-
ME494478
-
C19495
3.6166668
-
Penicillic acid -3.709
-
ME501358
-
C19495
3.709
-
Penicillin G
Penicillin G
ME501359
-
C05551
4.055
-
Penicillin O
-
ME501360
-
C17405
4.953
-
Penicillin X
-
ME490567
-
C17404
11.820375
-
Penicilloate
-
ME496313
-
-
1.6305001
-
PE-NMe(18:0/18:0)
PE-NMe 18:0/18:0)*
ME490737
-
-
13.4352665
-
PE-NMe2(O-14:0/O-14:0)
-
ME491504
-
-
12.783778
-
PE-NMe(O-14:0/O-14:0)
-
ME496314
-
-
12.4805
-
Pentacarboxyl porphyrinogen III
-
ME496315
-
-
3.7845001
-
Pentacarboxyl porphyrinogen III +3.596
-
ME501361
-
-
3.596
-
Pentacarboxyl porphyrinogen III +3.9445
-
ME493517
-
-
3.9445
-
Pentachloroethane
-
ME490568
-
C19496
0.90099996
-
Pentachlorophenol
Pentachlorophenol
ME490569
-
C02575
0.89225
-
Pentaglutamyl folate
-
ME501362
-
-
0.891
-
Pentahomomethionine
Pentahomomethionine
ME501363
-
C17229
1.399
-
Pentobarbital
Pentobarbital
ME493518
-
C07422
3.2875
-
Pentosidine
Pentosidine
ME493519
-
-
3.467
-
PE(O-16:0/0:0)
PE O-16:0/0:0*
ME501342
-
-
8.946
-
PE(O-16:0/15:0)
PE O-16:0/15:0
ME492011
-
-
0.8982857
-
PE(O-16:0/18:3(9Z,12Z,15Z))
PE O-16:0/18:3(9Z,12Z,15Z)*
ME491067
-
-
12.185582
-
PE(O-20:0/18:0)
PE O-20:0/18:0
ME494475
-
-
13.427667
-
PE(O-20:0/18:0) -13.74
PE O-20:0/18:0
ME501343
-
-
13.74
-
PE(O-20:0/20:3(8Z,11Z,14Z))
PE O-20:0/20:3(8Z,11Z,14Z)*
ME501344
-
-
0.877
-
PE(P-16:0/16:1(9Z))
PE P-16:0/16:1(9Z)*
ME501345
-
-
0.891
-
PE(P-16:0/17:2(9Z,12Z))
PE P-16:0/17:2(9Z,12Z)*
ME501346
-
-
0.889
-
PE(P-16:0/22:1(13Z))
PE P-16:0/22:1(13Z)*
ME496307
-
-
0.9015
-
PE(P-18:0/16:1(9Z))
PE P-18:0/16:1(9Z)*
ME501347
-
-
12.769
-
Perflubron
-
ME491193
-
-
0.8784546
-
Pergolide
Pergolide
ME496316
-
C07425
4.0835
-
Pergolide +3.485
Pergolide
ME494479
-
C07425
3.485
-
Pergolide +3.5974998
Pergolide
ME496317
-
C07425
3.5974998
-
Perindopril
Perindopril
ME490570
-
C07706
13.121938
-
Perindoprilat lactam A
-
ME491738
-
-
6.467
-
Perindoprilat lactam A +4.364
-
ME496318
-
-
4.364
-
Perindoprilat lactam A -6.4379997
-
ME496321
-
-
6.4379997
-
Perindoprilat lactam A +6.462
-
ME496319
-
-
6.462
-
Perindoprilat lactam A -6.4793334
-
ME494480
-
-
6.4793334
-
Perindoprilat lactam A +6.492
-
ME501365
-
-
6.492
-
Perindoprilat lactam A +6.4985
-
ME496320
-
-
6.4985
-
Perindopril lactam
-
ME501364
-
-
6.134
-
Permethrin
-
ME501366
-
C19864
3.669
-
Permethrin -4.486
-
ME501367
-
C19864
4.486
-
Petalopurpurenol
-
ME501368
-
-
7.355
-
Petasitenine
-
ME493520
-
C10359
4.032
-
Petasitenine +1.193
-
ME501369
-
C10359
1.193
-
Petromyzonol
Petromyzonol
ME491739
-
-
12.865001
-
PF-622
-
ME496322
-
-
7.7854996
-
PF-622 +5.645
-
ME501370
-
-
5.645
-
Pfaffoside A
-
ME494481
-
C08966
5.831333
-
PG(10:0/10:0)
PG 10:0/10:0
ME492370
-
-
11.005
-
PG(10:0/10:0)[U]
PG 10:0/10:0
ME492863
-
-
6.6503997
-
PG(12:0/19:0)
PG 12:0/19:0*
ME501371
-
-
0.892
-
PG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME492371
-
-
6.589833
-
PG(13:0/0:0)
LPG 13:0/0:0*
ME501372
-
-
8.125
-
PG(13:0/18:2(9Z,12Z))
PG 13:0/18:2(9Z,12Z)*
ME494482
-
-
10.588666
-
PG(13:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG 13:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME491356
-
-
10.5896
-
PG(13:0/22:0)
PG 13:0/22:0*
ME501373
-
-
9.728
-
PG(13:0/22:0) +0.904
PG 13:0/22:0*
ME493521
-
-
0.904
-
PG(14:0/0:0)
LPG 14:0/0:0
ME501374
-
-
6.807
-
PG(14:0/0:0) -6.902
LPG 14:0/0:0
ME501375
-
-
6.902
-
PG(14:0/0:0) -7.287
LPG 14:0/0:0
ME501376
-
-
7.287
-
PG(14:0/0:0)[U]
LPG 14:0/0:0
ME492864
-
-
9.9954
-
PG(15:0/22:0)
PG 15:0/22:0
ME491194
-
-
13.720092
-
PG(16:1(9Z)/0:0)
PG 16:1(9Z)/0:0*
ME491505
-
-
10.609222
-
PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME496323
-
-
9.9995
-
PG(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
PG 17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)*
ME501377
-
-
7.76
-
PG(18:1(9Z)/0:0)
PG 18:1(9Z)/0:0
ME492372
-
-
6.5246673
-
PG(18:1(9Z)/0:0) +6.4408007
PG 18:1(9Z)/0:0
ME492865
-
-
6.4408007
-
PG(18:2(9Z,12Z)/0:0)
PG 18:2(9Z,12Z)/0:0*
ME496324
-
-
7.7635
-
PG(18:2(9Z,12Z)/0:0) -9.057
PG 18:2(9Z,12Z)/0:0*
ME501378
-
-
9.057
-
PG(18:3(9Z,12Z,15Z)/17:1(9Z))
PG 18:3(9Z,12Z,15Z)/17:1(9Z)*
ME492866
-
-
0.9018
-
PG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))
PG 18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)*
ME494483
-
-
10.586666
-
PG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
PG 18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)*
ME491195
-
-
10.609273
-
PG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) -10.586599
PG 18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)*
ME492867
-
-
10.586599
-
PG(19:1(9Z)/0:0)
PG 19:1(9Z)/0:0*
ME501379
-
-
6.888
-
PG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME494484
-
-
10.5876665
-
PG(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
PG 20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)*
ME491357
-
-
10.6106
-
PG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501380
-
-
9.358
-
PG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +9.9...
PG 20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501381
-
-
9.906
-
PG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PG 20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME492868
-
-
9.892599
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PG 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME490571
-
-
12.846374
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
PG 20:5(5Z,8Z,11Z,14Z,17Z)/20:0*
ME501382
-
-
7.785
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) +9.077
PG 20:5(5Z,8Z,11Z,14Z,17Z)/20:0*
ME501383
-
-
9.077
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) +9.884999
PG 20:5(5Z,8Z,11Z,14Z,17Z)/20:0*
ME494485
-
-
9.884999
-
PG(22:2(13Z,16Z)/0:0)
PG 22:2(13Z,16Z)/0:0*
ME491506
-
-
11.64689
-
PG(22:2(13Z,16Z)/0:0) +11.643714
PG 22:2(13Z,16Z)/0:0*
ME492013
-
-
11.643714
-
PG(22:2(13Z,16Z)/0:0) -9.453875
PG 22:2(13Z,16Z)/0:0*
ME490572
-
-
9.453875
-
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,...
PG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME493522
-
-
11.004499
-
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,...
PG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME494486
-
-
5.8276668
-
PGD2-dihydroxypropanylamine
-
ME494488
-
-
9.059333
-
PGE3 1,15-lactone
PGE3 1,15-lactone
ME501387
-
-
4.511
-
PGI2-EA
PGI2-EA
ME501388
-
-
9.235
-
PGI2-EA -10.587998
PGI2-EA
ME491196
-
-
10.587998
-
PGI2-EA -9.705
PGI2-EA
ME496329
-
-
9.705
-
PG(O-16:0/20:2(11Z,14Z))
PG O-16:0/20:2(11Z,14Z)*
ME496325
-
-
9.232
-
PG(O-16:0/20:2(11Z,14Z)) +0.90250003
PG O-16:0/20:2(11Z,14Z)*
ME493523
-
-
0.90250003
-
PG(O-16:0/20:2(11Z,14Z)) -10.396334
PG O-16:0/20:2(11Z,14Z)*
ME494487
-
-
10.396334
-
PG(O-16:0/20:2(11Z,14Z)) -10.588583
PG O-16:0/20:2(11Z,14Z)*
ME491068
-
-
10.588583
-
PG(O-16:0/20:2(11Z,14Z)) -9.6698
PG O-16:0/20:2(11Z,14Z)*
ME492869
-
-
9.6698
-
PG(O-16:0/20:2(11Z,14Z)) -9.7075
PG O-16:0/20:2(11Z,14Z)*
ME496326
-
-
9.7075
-
PG(O-18:0/17:0)
PG O-18:0/17:0
ME501384
-
-
0.902
-
PG(O-18:0/18:3(6Z,9Z,12Z))
PG O-18:0/18:3(6Z,9Z,12Z)*
ME493524
-
-
9.70775
-
PG(O-18:0/18:3(6Z,9Z,12Z)) -10.595445
PG O-18:0/18:3(6Z,9Z,12Z)*
ME491507
-
-
10.595445
-
PG(O-18:0/18:4(6Z,9Z,12Z,15Z))
PG O-18:0/18:4(6Z,9Z,12Z,15Z)*
ME492870
-
-
9.8772
-
PG(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME501385
-
-
7.765
-
PG(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) -9.056
PG O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME501386
-
-
9.056
-
PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME491508
-
-
10.610223
-
PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME492871
-
-
0.90139997
-
PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) -9.999001
PG P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME496327
-
-
9.999001
-
PG(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME496328
-
-
9.880501
-
Phaclofen
-
ME501389
-
-
1.607
-
Phaseolic acid
Phaseolic acid
ME501390
-
C10483
1.392
-
Phe Arg Ala
Phe-Arg-Ala
ME501391
-
-
3.964
-
Phe Asn
Phe-Asn
ME496330
-
-
3.1409998
-
Phe Cys
Phe-Cys
ME492373
-
-
3.3968334
-
Phe Cys +4.014
Phe-Cys
ME501392
-
-
4.014
-
Phe Cys +4.12
Phe-Cys
ME501393
-
-
4.12
-
Phe Gln Gly
Phe-Gln-Gly
ME501394
-
-
1.389
-
Phe Glu Glu
Phe-Glu-Glu
ME501395
-
-
3.259
-
Phe Gly Lys
Phe-Gly-Lys
ME501396
-
-
3.298
-
Phe His Arg
Phe-His-Arg
ME501397
-
-
10.139
-
Phe His Asp
Phe-His-Asp
ME501398
-
-
3.981
-
Phe Leu Glu
Phe-Leu-Glu
ME501399
-
-
4.672
-
Phe Met Pro
Phe-Met-Pro
ME501400
-
-
1.63
-
Phenanthrene
Phenanthrene
ME496336
-
C11422
0.9345
-
Phe-Nap-OH
-
ME496337
-
-
9.707001
-
Phenazepam
-
ME501411
-
-
0.842
-
Phencyclidine
Phencyclidine
ME496338
-
C07575
8.3525
-
Phenethylamine glucuronide
-
ME501412
-
C03033
1.632
-
Phenformin
Phenformin
ME494492
-
C07673
3.7556667
-
Phenisopham
-
ME501413
-
C19061
6.481
-
Phenisopham +5.2065
-
ME496339
-
C19061
5.2065
-
Phenisopham -6.694
-
ME501414
-
C19061
6.694
-
Phenkapton
-
ME490957
-
C19010
0.8789231
-
Phenkapton +0.877
-
ME501415
-
C19010
0.877
-
Phenmedipham
-
ME493528
-
C18420
4.66025
-
Phenmedipham -4.6435003
-
ME496340
-
C18420
4.6435003
-
Phenmedipham +5.368
-
ME501416
-
C18420
5.368
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME501417
-
C12600
6.188
-
Phenoperidine
Phenoperidine
ME490958
-
-
12.315077
-
Phenyl acetate
Phenyl acetate
ME501418
-
C00548
1.089
-
Phenyl acetate +1.665
Phenyl acetate
ME501419
-
C00548
1.665
-
Phenyl acetate +1.678
Phenyl acetate
ME501420
-
C00548
1.678
-
Phenyl acetate +1.687
Phenyl acetate
ME501421
-
C00548
1.687
-
Phenyl acetate -3.519
Phenyl acetate
ME501422
-
C00548
3.519
-
Phenyl acetate -4.9636664
Phenyl acetate
ME494493
-
C00548
4.9636664
-
Phenylacetothiohydroximate
-
ME501429
-
C03719
3.925
-
Phenylacetylglycine dimethylamide
Ralgin
ME491509
-
C12958
0.8362222
-
Phenylacetylglycine dimethylamide +1.0666667
Ralgin
ME492374
-
C12958
1.0666667
-
Phenylacetylglycine dimethylamide +1.283
Ralgin
ME501430
-
C12958
1.283
-
Phenylacetylglycine dimethylamide +2.9910002
Ralgin
ME493530
-
C12958
2.9910002
-
Phenyl beta-D-glucopyranoside
Phenylglucoside
ME501423
-
C11611
4.179
-
Phenyl beta-D-glucopyranoside +4.015
Phenylglucoside
ME501424
-
C11611
4.015
-
Phenylboronic acid
-
ME492014
-
C16200
1.199
-
Phenylbutyrylglutamine
Phenylbutyrylglutamine
ME494497
-
-
3.4473333
-
?-Phenylcyclohexylglycolic acid
-
ME494681
-
-
3.125
-
?-PHENYL-gamma-Aminobutyric Acid
-
ME492444
-
-
3.3497996
-
?-PHENYL-gamma-Aminobutyric Acid +1.3935001
-
ME494682
-
-
1.3935001
-
?-PHENYL-gamma-Aminobutyric Acid +1.655
-
ME496685
-
-
1.655
-
?-PHENYL-gamma-Aminobutyric Acid +1.717
-
ME493649
-
-
1.717
-
?-PHENYL-gamma-Aminobutyric Acid +2.1625
-
ME494683
-
-
2.1625
-
?-PHENYL-gamma-Aminobutyric Acid +2.2165
-
ME494684
-
-
2.2165
-
?-PHENYL-gamma-Aminobutyric Acid +3.5725
-
ME492958
-
-
3.5725
-
?-PHENYL-gamma-Aminobutyric Acid +4.08
-
ME494685
-
-
4.08
-
?-PHENYL-gamma-Aminobutyric Acid +4.372
-
ME496686
-
-
4.372
-
?-PHENYL-gamma-Aminobutyric Acid +4.668
-
ME496687
-
-
4.668
-
?-PHENYL-gamma-Aminobutyric Acid +4.7877502
-
ME492959
-
-
4.7877502
-
?-PHENYL-gamma-Aminobutyric Acid +7.2644997
-
ME494686
-
-
7.2644997
-
Phenyl glucuronide
Phenyl glucuronide
ME492873
-
-
3.3786004
-
Phenyl glucuronide +1.32
Phenyl glucuronide
ME501425
-
-
1.32
-
Phenyl glucuronide -1.3863333
Phenyl glucuronide
ME494496
-
-
1.3863333
-
Phenyl glucuronide +3.141
Phenyl glucuronide
ME494494
-
-
3.141
-
Phenyl glucuronide -3.1825001
Phenyl glucuronide
ME493529
-
-
3.1825001
-
Phenyl glucuronide -3.183
Phenyl glucuronide
ME501426
-
-
3.183
-
Phenyl glucuronide +3.6685002
Phenyl glucuronide
ME490853
-
-
3.6685002
-
Phenyl glucuronide -3.744
Phenyl glucuronide
ME501427
-
-
3.744
-
Phenyl glucuronide +3.816
Phenyl glucuronide
ME494495
-
-
3.816
-
Phenyl glucuronide -4.051
Phenyl glucuronide
ME501428
-
-
4.051
-
Phenyl glucuronide +4.0656
Phenyl glucuronide
ME490738
-
-
4.0656
-
Phenylmethanesulfonyl fluoride
-
ME492874
-
C06747
0.8352
-
Phenyltoloxamine
-
ME501431
-
-
7.362
-
Phe Phe
Phe-Phe
ME493525
-
-
1.39475
-
Phe Phe +3.4664998
Phe-Phe
ME496331
-
-
3.4664998
-
Phe Phe Cys
Phe-Phe-Cys
ME501401
-
-
1.404
-
Phe Phe Gln
Phe-Phe-Gln
ME494489
-
-
5.674667
-
Phe Phe Gln +5.7875
Phe-Phe-Gln
ME496332
-
-
5.7875
-
Phe Phe Glu
Phe-Phe-Glu
ME493526
-
-
4.663
-
Phe Phe Ile
Phe-Phe-Ile
ME491197
-
-
6.7059093
-
Phe Phe Ile -6.77925
Phe-Phe-Ile
ME491740
-
-
6.77925
-
Phe Phe Thr
Phe-Phe-Thr
ME501402
-
-
4.694
-
Phe Pro Ile
Phe-Pro-Ile
ME496333
-
-
5.3455
-
Phe Pro Ile +5.447
Phe-Pro-Ile
ME501403
-
-
5.447
-
Phe Pro Lys
Phe-Pro-Lys
ME494490
-
-
9.662
-
Phe Pro Lys -10.3965
Phe-Pro-Lys
ME496335
-
-
10.3965
-
Phe Pro Lys +5.836
Phe-Pro-Lys
ME496334
-
-
5.836
-
Phe Pro Ser
Phe-Pro-Ser
ME501404
-
-
4.704
-
Phe Ser
Phe-Ser
ME501405
-
-
3.664
-
Phe Thr
Phe-Thr
ME493527
-
-
3.8987498
-
Phe Thr +1.149
Phe-Thr
ME501406
-
-
1.149
-
Phe Thr +3.186
Phe-Thr
ME494491
-
-
3.186
-
Phe Thr +3.352
Phe-Thr
ME501407
-
-
3.352
-
Phe Thr His
Phe-Thr-His
ME501408
-
-
6.088
-
Phe-Trp-OH
-
ME501432
-
-
4.433
-
Phe-Trp-OH -4.461
-
ME501433
-
-
4.461
-
Phe Trp Phe
Phe-Trp-Phe
ME501409
-
-
6.904
-
Phe Val Arg
Phe-Val-Arg
ME492872
-
-
5.8422003
-
Phe Val Lys
Phe-Val-Lys
ME501410
-
-
3.529
-
Phillipsiaxanthin/ 1,1'-(OH)2-2,2'-diketo-3,4,3',4...
-
ME494498
-
-
6.573666
-
Phorbol 12-tiglate 13-decanoate
-
ME492015
-
C09157
6.6380005
-
Phorbol 12-tiglate 13-decanoate +6.721286
-
ME492016
-
C09157
6.721286
-
Phosphamidon
-
ME501434
-
C18689
4.451
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME496341
-
C13482
1.3985
-
Phosphodimethylethanolamine +1.6
N,N-Dimethylethanolamine phosphate
ME501435
-
C13482
1.6
-
Phospho-L-serine
DL-O-Phosphoserine
ME501436
-
C01005
0.939
-
p-Hydroxyatorvastatin
-
ME496342
-
-
3.25
-
p-Hydroxydextroamphetamine
-
ME496343
-
-
4.045
-
p-Hydroxydextroamphetamine +1.6225
-
ME496344
-
-
1.6225
-
p-Hydroxyfelbamate
p-Hydroxyfelbamate
ME493531
-
C16584
10.04225
-
p-Hydroxymeperidine
-
ME501437
-
-
3.353
-
p-Hydroxymexiletine
-
ME496345
-
-
1.623
-
p-Hydroxynorpropoxyphene
-
ME501438
-
-
11.979
-
p-Hydroxynorpseudoephedrine
-
ME496346
-
-
3.9075
-
p-Hydroxyphenylacetothiohydroximate
-
ME501439
-
C17239
3.896
-
p-Hydroxyphenylacetothiohydroximate -4.043
-
ME501440
-
C17239
4.043
-
p-Hydroxyphenylacetothiohydroximate -4.149
-
ME501441
-
C17239
4.149
-
p-Hydroxyphenylacetothiohydroximate -5.001
-
ME501442
-
C17239
5.001
-
p-Hydroxyphenylacetothiohydroximate -6.896
-
ME501443
-
C17239
6.896
-
p-Hydroxyphenytoin glucuronide
-
ME501444
-
-
3.3
-
p-Hydroxytriamterene
-
ME496347
-
-
1.6259999
-
p-Hydroxytriamterene +3.073
-
ME501445
-
-
3.073
-
Phyllalbine
-
ME492375
-
C10863
1.3971666
-
Phyllalbine +3.672
-
ME496348
-
C10863
3.672
-
Phyllalbine +4.173
-
ME501446
-
C10863
4.173
-
Phyllalbine +5.491
-
ME493532
-
C10863
5.491
-
Physoperuvine
-
ME491198
-
C10864
3.0095453
-
Physoperuvine +3.168
-
ME501447
-
C10864
3.168
-
Physoperuvine +3.2265003
-
ME492376
-
C10864
3.2265003
-
Physoperuvine +3.608
-
ME501448
-
C10864
3.608
-
Physoperuvine +3.689
-
ME501449
-
C10864
3.689
-
Physoperuvine +3.882333
-
ME494499
-
C10864
3.882333
-
Physoperuvine +5.1922503
-
ME493533
-
C10864
5.1922503
-
Physovenine
-
ME494500
-
C09232
4.6246667
-
Physovenine -5.4121113
-
ME491510
-
C09232
5.4121113
-
Phytolaccoside B
-
ME501450
-
C08968
5.43
-
Phytophthora mating hormone alpha1
-
ME496349
-
-
13.4285
-
Phytosphingosine
Phytosphingosine
ME496350
-
C12144
12.191
-
Phytosphingosine +10.8575
Phytosphingosine
ME496351
-
C12144
10.8575
-
Phytuberin
Phytuberin
ME490573
-
C09709
10.0981865
-
Phytuberin -10.07875
Phytuberin
ME490574
-
C09709
10.07875
-
Phytuberin -10.589714
Phytuberin
ME492017
-
C09709
10.589714
-
Phytuberin +1.145
Phytuberin
ME501451
-
C09709
1.145
-
Phytuberin +12.287
Phytuberin
ME501452
-
C09709
12.287
-
Phytuberin -13.112
Phytuberin
ME501454
-
C09709
13.112
-
Phytuberin -13.4278755
Phytuberin
ME490575
-
C09709
13.4278755
-
Phytuberin -13.720374
Phytuberin
ME490576
-
C09709
13.720374
-
Phytuberin -14.090084
Phytuberin
ME491069
-
C09709
14.090084
-
Phytuberin +4.556
Phytuberin
ME501453
-
C09709
4.556
-
Phytuberin -9.453625
Phytuberin
ME490577
-
C09709
9.453625
-
Phytuberin -9.52
Phytuberin
ME501455
-
C09709
9.52
-
Phytuberin -9.886
Phytuberin
ME501456
-
C09709
9.886
-
Phytyl phosphate
Phytyl phosphate
ME496352
-
-
9.707001
-
PI-103
-
ME496366
-
-
5.0235
-
PI(12:0/12:0)
PI 12:0/12:0
ME490959
-
-
6.381692
-
PI(12:0/12:0) +11.752801
PI 12:0/12:0
ME490739
-
-
11.752801
-
PI(12:0/12:0) +11.812812
PI 12:0/12:0
ME490578
-
-
11.812812
-
PI(12:0/12:0) +11.881
PI 12:0/12:0
ME501457
-
-
11.881
-
PI(12:0/12:0) +6.2968884
PI 12:0/12:0
ME491511
-
-
6.2968884
-
PI(12:0/17:2(9Z,12Z))
PI 12:0/17:2(9Z,12Z)*
ME501458
-
-
4.44
-
PI(12:0/18:2(9Z,12Z))
PI 12:0/18:2(9Z,12Z)*
ME501459
-
-
7.763
-
PI(12:0/20:4(5Z,8Z,11Z,14Z))
PI 12:0/20:4(5Z,8Z,11Z,14Z)*
ME491358
-
-
12.4568
-
PI(12:0/20:4(5Z,8Z,11Z,14Z)) +12.485749
PI 12:0/20:4(5Z,8Z,11Z,14Z)*
ME491070
-
-
12.485749
-
PI(12:0/20:4(5Z,8Z,11Z,14Z)) -7.02
PI 12:0/20:4(5Z,8Z,11Z,14Z)*
ME501461
-
-
7.02
-
PI(12:0/20:4(5Z,8Z,11Z,14Z)) +7.912
PI 12:0/20:4(5Z,8Z,11Z,14Z)*
ME501460
-
-
7.912
-
PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
PI 12:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME496353
-
-
7.8225
-
PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) -7.83
PI 12:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME501462
-
-
7.83
-
PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) -7.865
PI 12:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME501463
-
-
7.865
-
PI(13:0/21:0)
PI 13:0/21:0
ME496354
-
-
7.183
-
PI(13:0/21:0) +7.207
PI 13:0/21:0
ME501464
-
-
7.207
-
PI(13:0/21:0) -7.76375
PI 13:0/21:0
ME493534
-
-
7.76375
-
PI(13:0/21:0) -8.196
PI 13:0/21:0
ME501465
-
-
8.196
-
PI(13:0/21:0) -9.059667
PI 13:0/21:0
ME494501
-
-
9.059667
-
PI(14:0/18:3(9Z,12Z,15Z))
PI 14:0/18:3(9Z,12Z,15Z)*
ME496355
-
-
8.0655
-
PI(14:1(9Z)/14:1(9Z))
PI 14:1(9Z)/14:1(9Z)*
ME501466
-
-
10.143
-
PI(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PI 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)*
ME492875
-
-
10.6252
-
PI(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) -9.233
PI 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)*
ME501467
-
-
9.233
-
PI(15:1(9Z)/22:4(7Z,10Z,13Z,16Z))
PI 15:1(9Z)/22:4(7Z,10Z,13Z,16Z)*
ME494502
-
-
9.88
-
PI(16:0/18:2(9Z,12Z))
PI 16:0/18:2(9Z,12Z)*
ME496356
-
-
8.3965
-
PI(16:0/18:2(9Z,12Z)) -8.443
PI 16:0/18:2(9Z,12Z)*
ME501468
-
-
8.443
-
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501469
-
-
10.583
-
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) -10.587
PI 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501470
-
-
10.587
-
PI(17:0/0:0)
LPI 17:0/0:0*
ME501471
-
-
6.935
-
PI(17:0/13:0)
PI 17:0/13:0*
ME501472
-
-
8.08
-
PI(17:0/22:1(11Z))
PI 17:0/22:1(11Z)*
ME496357
-
-
13.7185
-
PI(17:1(9Z)/0:0)
PI 17:1(9Z)/0:0
ME501473
-
-
6.936
-
PI(17:1(9Z)/0:0) -7.406
PI 17:1(9Z)/0:0
ME501474
-
-
7.406
-
PI(17:1(9Z)/0:0) -7.535
PI 17:1(9Z)/0:0
ME501475
-
-
7.535
-
PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
PI 17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)*
ME491199
-
-
10.593454
-
PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) -10.566
PI 17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)*
ME496358
-
-
10.566
-
PI(18:0/16:1(9Z))
PI 18:0/16:1(9Z)
ME496359
-
-
7.7915
-
PI(18:0/16:1(9Z)) -7.771
PI 18:0/16:1(9Z)
ME501477
-
-
7.771
-
PI(18:0/16:1(9Z)) +9.057
PI 18:0/16:1(9Z)
ME501476
-
-
9.057
-
PI(18:2(9Z,12Z)/16:1(9Z))
PI 18:2(9Z,12Z)/16:1(9Z)*
ME494503
-
-
7.772
-
PI(18:3(6Z,9Z,12Z)/18:0)
PI 18:3(6Z,9Z,12Z)/18:0*
ME501478
-
C00626
7.761
-
PI(19:1(9Z)/0:0)
PI 19:1(9Z)/0:0*
ME501479
-
-
9.256
-
PI(19:1(9Z)/15:1(9Z))
PI 19:1(9Z)/15:1(9Z)*
ME496360
-
-
7.86
-
PI(19:1(9Z)/18:2(9Z,12Z))
PI 19:1(9Z)/18:2(9Z,12Z)*
ME492876
-
-
10.588201
-
PI(19:1(9Z)/18:2(9Z,12Z)) -9.709
PI 19:1(9Z)/18:2(9Z,12Z)*
ME501480
-
-
9.709
-
PI(20:1(11Z)/0:0)
PI 20:1(11Z)/0:0*
ME501481
-
-
6.89
-
PI(20:2(11Z,14Z)/17:2(9Z,12Z))
PI 20:2(11Z,14Z)/17:2(9Z,12Z)*
ME501482
-
-
10.614
-
PI(20:3(8Z,11Z,14Z)/12:0)
PI 20:3(8Z,11Z,14Z)/12:0*
ME501483
-
-
8.087
-
PI(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...
PI 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME494504
-
-
5.911
-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PI 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME501484
-
-
4.674
-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)
PI 20:5(5Z,8Z,11Z,14Z,17Z)/12:0*
ME496361
-
-
7.848
-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)
PI 20:5(5Z,8Z,11Z,14Z,17Z)/16:0*
ME494505
-
-
6.186667
-
PI(22:0/18:3(9Z,12Z,15Z))
PI 22:0/18:3(9Z,12Z,15Z)*
ME501485
-
-
14.16
-
PI(22:1(11Z)/0:0)
PI 22:1(11Z)/0:0
ME490854
-
-
6.2799997
-
PI(22:1(11Z)/0:0) +11.772334
PI 22:1(11Z)/0:0
ME490740
-
-
11.772334
-
PI(22:1(11Z)/0:0) +11.831626
PI 22:1(11Z)/0:0
ME490579
-
-
11.831626
-
PI(22:1(11Z)/0:0) +6.196
PI 22:1(11Z)/0:0
ME492018
-
-
6.196
-
PI(22:1(11Z)/0:0) +6.283
PI 22:1(11Z)/0:0
ME501486
-
-
6.283
-
PI(22:4(7Z,10Z,13Z,16Z)/17:0)
PI 22:4(7Z,10Z,13Z,16Z)/17:0*
ME493535
-
-
6.3062496
-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z...
PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)*
ME501487
-
-
6.061
-
Piceid
Piceid
ME501493
-
-
5.18
-
Picein
Picein
ME501494
-
C10720
6.473
-
Picolinic acid
Picolinic acid
ME491071
-
C10164
1.388
-
Picolinic acid +1.2438571
Picolinic acid
ME492020
-
C10164
1.2438571
-
Picolinic acid +1.5793749
Picolinic acid
ME490580
-
C10164
1.5793749
-
Picrasin A
-
ME501495
-
C17049
6.065
-
Picrasin A +7.538
-
ME501496
-
C17049
7.538
-
Picrasin C
-
ME491359
-
C08776
11.057599
-
Pikromycin
Pikromycin
ME492377
-
C11999
6.1461663
-
Pilocarpidine
-
ME501497
-
C17964
2.374
-
Pimelea factor P2
-
ME501498
-
C09161
3.614
-
Pimelic Diphenylamide 106
-
ME501499
-
-
5.69
-
Pimethixene
-
ME501500
-
-
0.941
-
Pinacidil
Pindac
ME492378
-
-
1.1223334
-
Pinacidil +5.249
Pindac
ME501501
-
-
5.249
-
Pinacidil-N-Oxide
-
ME496367
-
-
5.325
-
Pinacidil-N-Oxide +5.171
-
ME501502
-
-
5.171
-
Pinacidil-N-Oxide +6.5625
-
ME496368
-
-
6.5625
-
(-)-Pinoresinol glucoside
-
ME496582
-
C17529
1.61
-
PI(O-16:0/0:0)
PI O-16:0/0:0*
ME492019
-
-
9.240286
-
PI(O-16:0/13:0)
PI O-16:0/13:0
ME491741
-
-
0.90275
-
PI(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501488
-
-
13.723
-
PI(P-16:0/0:0)
PI P-16:0/0:0*
ME491512
-
-
6.946333
-
PI(P-16:0/0:0) -9.1105
PI P-16:0/0:0*
ME496362
-
-
9.1105
-
PI(P-16:0/0:0) -9.1618
PI P-16:0/0:0*
ME492877
-
-
9.1618
-
PI(P-16:0/12:0)
PI P-16:0/12:0
ME501489
-
-
0.889
-
PI(P-16:0/16:0)
PI P-16:0/16:0
ME501490
-
-
9.991
-
PI(P-16:0/17:2(9Z,12Z))
PI P-16:0/17:2(9Z,12Z)*
ME501491
-
-
6.77
-
PIP(16:0/20:2(11Z,14Z))
-
ME501503
-
C00626
5.759
-
PIP(16:1(9Z)/18:0)
-
ME494508
-
C00626
10.591333
-
PIP(16:1(9Z)/18:0) -10.0
-
ME496369
-
C00626
10
-
PI(P-18:0/17:2(9Z,12Z))
PI P-18:0/17:2(9Z,12Z)*
ME496363
-
-
7.7799997
-
PI(P-18:0/17:2(9Z,12Z)) +10.6115
PI P-18:0/17:2(9Z,12Z)*
ME496364
-
-
10.6115
-
PI(P-18:0/17:2(9Z,12Z)) +9.076333
PI P-18:0/17:2(9Z,12Z)*
ME494506
-
-
9.076333
-
PI(P-20:0/17:2(9Z,12Z))
PI P-20:0/17:2(9Z,12Z)*
ME496365
-
-
7.7784996
-
PI(P-20:0/17:2(9Z,12Z)) -13.721667
PI P-20:0/17:2(9Z,12Z)*
ME494507
-
-
13.721667
-
PI(P-20:0/17:2(9Z,12Z)) +9.077
PI P-20:0/17:2(9Z,12Z)*
ME501492
-
-
9.077
-
Piperaduncin B
Piperaduncin B
ME501504
-
C09829
7.467
-
Piperaduncin B -7.863
Piperaduncin B
ME501505
-
C09829
7.863
-
Piperaduncin B -8.446
Piperaduncin B
ME501506
-
C09829
8.446
-
Piperazine, 1-(3-chlorophenyl)- (m-CPP)
Mono-(3-carboxypropyl) phthalate
ME501507
-
C11738
3.067
-
Piperideine
Piperideine
ME496370
-
C06181
1.368
-
Piperideine +1.088
Piperideine
ME496371
-
C06181
1.088
-
Piperidine
Piperidine
ME490855
-
C01746
0.85107136
-
Piperidine +0.9323333
Piperidine
ME494509
-
C01746
0.9323333
-
Piperidine +1.622
Piperidine
ME501508
-
C01746
1.622
-
Piperidine +1.9324999
Piperidine
ME496372
-
C01746
1.9324999
-
Piperidine +1.9938571
Piperidine
ME492021
-
C01746
1.9938571
-
Piperidine +2.228
Piperidine
ME501509
-
C01746
2.228
-
Piperidine +2.2641666
Piperidine
ME492379
-
C01746
2.2641666
-
Piperidine +3.006
Piperidine
ME496373
-
C01746
3.006
-
Piperidione
Piperidione
ME491513
-
C17730
3.890667
-
Piperidione +5.1913333
Piperidione
ME494510
-
C17730
5.1913333
-
Piperonal
-
ME501510
-
C10812
0.999
-
Piperonyl sulfoxide
-
ME491514
-
C19147
5.693111
-
Piperyline
(E,E)-Trichostachine
ME501511
-
C10174
5.509
-
Pipobroman
Pipobroman
ME494511
-
C07362
0.838
-
Pirbuterol
Pirbuterol
ME501512
-
C07807
4.111
-
Pirbuterol +2.589
Pirbuterol
ME501513
-
C07807
2.589
-
Pirenperone
-
ME501514
-
-
0.941
-
Pirenzepine
Pirenzepine
ME501515
-
C07508
1.396
-
Pirenzepine +5.02
Pirenzepine
ME501516
-
C07508
5.02
-
Piretanide glucuronide
-
ME496374
-
-
3.494
-
Piretanide glucuronide +12.3182
-
ME492878
-
-
12.3182
-
Pirimicarb
Pirimicarb
ME490581
-
C11079
4.0516872
-
Pirimicarb +1.698
Pirimicarb
ME501517
-
C11079
1.698
-
Pirimicarb +3.509
Pirimicarb
ME501518
-
C11079
3.509
-
Piscidic Acid
Piscidic acid
ME494512
-
-
1.3946667
-
Piscidic Acid +1.324
Piscidic acid
ME501519
-
-
1.324
-
Pivalic acid
-
ME493536
-
-
1.0157499
-
Pivalic acid -3.943
-
ME501520
-
-
3.943
-
Pivampicillin
Pivampicillin
ME501521
-
C11750
1.359
-
p-Lactophenetide
-
ME492879
-
C14262
3.5956001
-
p-Lactophenetide +1.3770001
-
ME496375
-
C14262
1.3770001
-
p-Lactophenetide +1.825
-
ME501522
-
C14262
1.825
-
p-Lactophenetide +3.62
-
ME501523
-
C14262
3.62
-
p-Lactophenetide +4.179
-
ME492880
-
C14262
4.179
-
p-Lactophenetide +5.837
-
ME496376
-
C14262
5.837
-
Platycodin D
-
ME501524
-
C17410
6.967
-
Platycodin D -6.898
-
ME501525
-
C17410
6.898
-
Platydesmine
-
ME492380
-
C16721
1.1743333
-
Platydesmine +3.625
-
ME501526
-
C16721
3.625
-
Platydesmine +4.4875
-
ME496377
-
C16721
4.4875
-
Platydesmine +5.762
-
ME501527
-
C16721
5.762
-
Pleurostyline
-
ME490960
-
C10612
5.917
-
Pleurostyline +5.791
-
ME501528
-
C10612
5.791
-
Pleurostyline +5.847111
-
ME491515
-
C10612
5.847111
-
Pleurostyline +5.936
-
ME493537
-
C10612
5.936
-
Pleurostyline +5.936333
-
ME491516
-
C10612
5.936333
-
Pleurostyline +6.09025
-
ME493538
-
C10612
6.09025
-
(+)-Plicamine
-
ME496595
-
C12254
3.507
-
(+)-Plicamine -7.144
-
ME496596
-
C12254
7.144
-
p-menthane skeleton
-
ME490741
-
-
7.168333
-
p-Nitroglutethimide
-
ME501529
-
-
3.688
-
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic a...
-
ME491735
-
-
1.386375
-
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic a...
-
ME501285
-
-
5.066
-
Podolide
Podolide
ME494513
-
C09173
1.3983332
-
Podolide +3.566
Podolide
ME501530
-
C09173
3.566
-
Polidocanol
Polidocanol
ME494514
-
C13493
12.551666
-
Polisteskinin JT
-
ME501531
-
C20050
7.776
-
Polygonolide
-
ME501532
-
C09963
2.215
-
Polygonolide +3.138
-
ME501533
-
C09963
3.138
-
Polygonolide +4.15
-
ME501534
-
C09963
4.15
-
Pongamoside A
-
ME496378
-
-
6.924
-
Pongamoside B
-
ME501535
-
-
1.399
-
Populin
-
ME490856
-
C10823
6.4705
-
Populin -6.3193336
-
ME494515
-
C10823
6.3193336
-
Populin +6.3373995
-
ME492881
-
C10823
6.3373995
-
Populin -6.4525003
-
ME491360
-
C10823
6.4525003
-
Porphobilinogen
Porphobilinogen
ME501536
-
C00931
3.428
-
Porphyrin
Porphyrin
ME501537
-
C05113
6.537
-
Powelline
-
ME501538
-
C12163
4.702
-
Powelline +3.686
-
ME501539
-
C12163
3.686
-
Powelline +4.7239995
-
ME494516
-
C12163
4.7239995
-
Powelline +6.766333
-
ME494517
-
C12163
6.766333
-
PPA(18:1(9Z)/18:1(9Z))
-
ME490961
-
-
0.90161544
-
p-Phenetidine
-
ME501540
-
-
4.275
-
p-Phenetidine -5.7875
-
ME496379
-
-
5.7875
-
p-Phenetidine -5.984
-
ME501541
-
-
5.984
-
p-Phenetidine -6.079
-
ME501542
-
-
6.079
-
PPOH
-
ME501543
-
-
1.396
-
Practolol
-
ME496380
-
C11696
3.736
-
Practolol +3.7315001
-
ME496381
-
C11696
3.7315001
-
Practolol +3.937667
-
ME491517
-
C11696
3.937667
-
Practolol +4.0452857
-
ME492022
-
C11696
4.0452857
-
Practolol +6.0
-
ME501544
-
C11696
6
-
Pralidoxime
-
ME501545
-
-
3.428
-
Prasterone sulfate
Dehydroepiandrosterone sulfate
ME491742
-
C04555
7.3537498
-
Prasterone sulfate -6.6526666
Dehydroepiandrosterone sulfate
ME494518
-
C04555
6.6526666
-
Prasterone sulfate -7.292
Dehydroepiandrosterone sulfate
ME501546
-
C04555
7.292
-
Pratensin A
Pratensin A
ME501547
-
-
6.927
-
pravastatin dihydrodiol
-
ME501548
-
-
6.195
-
Praziquantel
Praziquantel
ME496382
-
C07367
6.6505
-
Praziquantel +4.49
Praziquantel
ME496383
-
C07367
4.49
-
Precorrin 6X
Precorrin-6X
ME493539
-
C06320
0.88925
-
Prednicarbate
-
ME493540
-
-
7.4695
-
Pregna-4,16-diene-3,11,20-trione
-
ME492023
-
C15146
10.583285
-
Pregna-4,16-diene-3,11,20-trione -10.567
-
ME501549
-
C15146
10.567
-
Pregna-4,16-diene-3,11,20-trione -10.914187
-
ME490582
-
C15146
10.914187
-
Pregna-4,16-diene-3,11,20-trione -10.969001
-
ME492381
-
C15146
10.969001
-
Pregna-4,16-diene-3,11,20-trione -11.025813
-
ME490583
-
C15146
11.025813
-
Pregna-4,16-diene-3,11,20-trione -11.035
-
ME501550
-
C15146
11.035
-
Pregna-4,16-diene-3,11,20-trione -11.168564
-
ME490584
-
C15146
11.168564
-
Pregnanolone sulfate
-
ME492882
-
-
7.5703993
-
Prenalterol
-
ME501551
-
C07533
3.465
-
Prenyletin
-
ME494519
-
-
1.0186666
-
Prenyletin +3.214
-
ME501552
-
-
3.214
-
Prenyl-L-cysteine
S-Prenyl-L-cysteine
ME501553
-
C06751
0.971
-
Prenyl-L-cysteine -4.617
S-Prenyl-L-cysteine
ME501554
-
C06751
4.617
-
Presqualene diphosphate
Presqualene diphosphate
ME501555
-
C03428
5.229
-
Presqualene diphosphate -5.369
Presqualene diphosphate
ME501556
-
C03428
5.369
-
Pridinol
-
ME501557
-
-
5.351
-
Prilocaine
Prilocaine
ME494520
-
C07531
4.8370004
-
Prilocaine +5.0662856
Prilocaine
ME492024
-
C07531
5.0662856
-
Prinomide
Prinomide
ME501558
-
C10958
5.477
-
Pristimerin
Pristimerin
ME492883
-
C08633
10.5914
-
Proacacipetalin
-
ME501593
-
C08338
3.961
-
Proacacipetalin +1.0162001
-
ME492887
-
C08338
1.0162001
-
Proacacipetalin -5.372
-
ME501594
-
C08338
5.372
-
Pro Ala
Pro-Ala
ME491743
-
-
1.623
-
Pro Ala +1.4025
Pro-Ala
ME493541
-
-
1.4025
-
Pro Ala -1.61325
Pro-Ala
ME493542
-
-
1.61325
-
Pro Ala Asp
Pro-Ala-Asp
ME494521
-
-
0.937
-
Pro Arg
Pro-Arg
ME493543
-
-
1.201
-
Pro Arg +1.2925
Pro-Arg
ME493544
-
-
1.2925
-
Pro Arg +4.29
Pro-Arg
ME501559
-
-
4.29
-
Pro Arg Pro
Pro-Arg-Pro
ME501560
-
-
3.821
-
Pro Arg Pro +10.6165
Pro-Arg-Pro
ME496384
-
-
10.6165
-
Pro Arg Pro +5.726
Pro-Arg-Pro
ME501561
-
-
5.726
-
Pro Arg Val
Pro-Arg-Val
ME501562
-
-
3.184
-
Pro Asn
Pro-Asn
ME501563
-
-
1.631
-
Probenazole
-
ME501595
-
C18483
4.498
-
Procaterol
-
ME496393
-
-
3.7335
-
Procaterol +6.215
-
ME501596
-
-
6.215
-
Procaterol +7.089
-
ME501597
-
-
7.089
-
Progeldanamycin
-
ME501598
-
C15823
10.602
-
Pro Gln Glu
Pro-Gln-Glu
ME501564
-
-
0.937
-
Pro Gln Pro
Pro-Gln-Pro
ME496385
-
-
3.964
-
Pro Gln Val
Pro-Gln-Val
ME494522
-
-
4.1043334
-
Pro Glu
Pro-Glu
ME492884
-
-
1.2292
-
Pro Glu +1.6348572
Pro-Glu
ME492025
-
-
1.6348572
-
Pro Glu Ile
Pro-Glu-Ile
ME501565
-
-
1.126
-
Pro Glu Ile +1.395
Pro-Glu-Ile
ME501566
-
-
1.395
-
Pro Glu Pro
Pro-Glu-Pro
ME501567
-
-
3.057
-
Pro Glu Pro +3.59
Pro-Glu-Pro
ME501568
-
-
3.59
-
Pro Gly Ile
Pro-Gly-Ile
ME496386
-
-
3.5279999
-
Pro Gly Pro
Pro-Gly-Pro
ME501569
-
-
3.146
-
Pro Gly Pro +3.5110002
Pro-Gly-Pro
ME496387
-
-
3.5110002
-
Pro Gly Tyr
Pro-Gly-Tyr
ME501570
-
-
3.281
-
Pro His
Pro-His
ME492026
-
-
1.1188571
-
Pro His Pro
Pro-His-Pro
ME501571
-
-
4.953
-
Prohydrojasmon
-
ME501599
-
C18538
11.185
-
Prohydrojasmon +9.028
-
ME496394
-
C18538
9.028
-
Pro Ile Val
Pro-Ile-Val
ME501572
-
-
4.489
-
Proline betaine
Proline betaine
ME493551
-
C10172
1.388
-
Pro Lys Ala
Pro-Lys-Ala
ME491361
-
-
3.4275997
-
Pro Lys Ala +4.179
Pro-Lys-Ala
ME501573
-
-
4.179
-
Pro Lys Gln
Pro-Lys-Gln
ME501574
-
-
5.238
-
Promacyl
-
ME490742
-
C18955
12.077532
-
Promacyl +3.81
-
ME501600
-
C18955
3.81
-
Promacyl -7.6215
-
ME496395
-
C18955
7.6215
-
Promacyl +7.6416664
-
ME494525
-
C18955
7.6416664
-
Promazine
Promazine
ME501601
-
C07379
3.418
-
Pro Met
Pro-Met
ME501575
-
-
3.198
-
Pro Met +3.715
Pro-Met
ME501576
-
-
3.715
-
Pro Met +3.7465
Pro-Met
ME493545
-
-
3.7465
-
Pro Met +4.429
Pro-Met
ME501577
-
-
4.429
-
Propane-1,2-diol 1-phosphate
-
ME496396
-
C03894
0.9635
-
Propanoylagmatine
Propanoylagmatine
ME501602
-
C02581
3.215
-
Propargite
Propargite
ME501603
-
C18602
3.687
-
Propham
-
ME501604
-
C18887
9.26
-
Propham +7.3615
-
ME496397
-
C18887
7.3615
-
Pro Phe
Pro-Phe
ME501578
-
-
4.953
-
Pro Phe Tyr
Pro-Phe-Tyr
ME501579
-
-
5.692
-
Propiomazine
Propiomazine
ME490585
-
C07405
7.231938
-
Propionylglycine
Propionylglycine
ME491745
-
-
0.9574999
-
Propionylglycine +1.202
Propionylglycine
ME501605
-
-
1.202
-
Propionylglycine +1.68025
Propionylglycine
ME493552
-
-
1.68025
-
Propionyl-L-carnitine
CAR 3:0
ME501606
-
C03017
4.009
-
Propionyl-L-carnitine +4.672
CAR 3:0
ME501607
-
C03017
4.672
-
Propiverine
Propiverine
ME492383
-
C07852
12.206
-
Propoxur
Propoxur
ME492888
-
C14334
4.4110003
-
Propoxur -10.446667
Propoxur
ME492385
-
C14334
10.446667
-
Propoxur +1.9109999
Propoxur
ME494526
-
C14334
1.9109999
-
Propoxur +3.3954003
Propoxur
ME492889
-
C14334
3.3954003
-
Propoxur +3.43
Propoxur
ME501608
-
C14334
3.43
-
Propoxur +3.4861667
Propoxur
ME492384
-
C14334
3.4861667
-
Propoxur +3.502
Propoxur
ME501609
-
C14334
3.502
-
Propoxur +3.741
Propoxur
ME494527
-
C14334
3.741
-
Propoxur +4.3094997
Propoxur
ME496398
-
C14334
4.3094997
-
Propranolol glucuronide
-
ME501610
-
-
5.018
-
Propranolol glucuronide +5.213
-
ME501611
-
-
5.213
-
Pro Pro Ala
Pro-Pro-Ala
ME501580
-
-
3.263
-
Pro Pro Arg
Pro-Pro-Arg
ME496388
-
-
9.2305
-
Pro Pro Arg -7.3636665
Pro-Pro-Arg
ME494523
-
-
7.3636665
-
Pro Pro Arg -7.624
Pro-Pro-Arg
ME501581
-
-
7.624
-
Pro Pro Asn
Pro-Pro-Asn
ME496389
-
-
1.39
-
Pro Pro His
Pro-Pro-His
ME501582
-
-
3.524
-
Pro Pro Lys
Pro-Pro-Lys
ME501583
-
-
4.841
-
Pro Pro Lys +1.077
Pro-Pro-Lys
ME501584
-
-
1.077
-
Pro Pro Met
Pro-Pro-Met
ME496390
-
-
1.3935
-
Pro Pro Met -4.715
Pro-Pro-Met
ME501585
-
-
4.715
-
Pro Pro Val
Pro-Pro-Val
ME501586
-
-
4.024
-
Pro Pro Val +4.028
Pro-Pro-Val
ME501587
-
-
4.028
-
Propylpyrazole Triol
-
ME492890
-
-
5.6042
-
Propyzamide
-
ME496399
-
C14333
0.9585
-
Proscillaridin A
Proscillaridin A
ME491746
-
C12816
6.8833747
-
Proscillaridin A -11.765666
Proscillaridin A
ME494528
-
C12816
11.765666
-
Proscillaridin A -11.851666
Proscillaridin A
ME494529
-
C12816
11.851666
-
Proscillaridin A -11.896667
Proscillaridin A
ME494530
-
C12816
11.896667
-
Proscillaridin A -11.97275
Proscillaridin A
ME493553
-
C12816
11.97275
-
Proscillaridin A -6.892
Proscillaridin A
ME501612
-
C12816
6.892
-
Proscillaridin A -6.9135
Proscillaridin A
ME496400
-
C12816
6.9135
-
Proscillaridin A -8.847143
Proscillaridin A
ME492027
-
C12816
8.847143
-
Proscillaridin A -8.878
Proscillaridin A
ME501613
-
C12816
8.878
-
Pro Ser Ala
Pro-Ser-Ala
ME492885
-
-
1.6218001
-
Pro Ser Asp
Pro-Ser-Asp
ME501588
-
-
3.404
-
Pro Ser Pro
Pro-Ser-Pro
ME491744
-
-
3.2493753
-
Prosolanapyrone III
-
ME493554
-
C19934
1.39575
-
Prosolanapyrone III +1.403
-
ME501614
-
C19934
1.403
-
Prosopinine
Prosopinine
ME501615
-
-
10.45
-
Prostaglandin E2 p-benzamidophenyl ester
-
ME491072
-
-
12.839748
-
Prosulfocarb
-
ME501616
-
C18760
1.322
-
Prothiocarb
-
ME501617
-
C18943
4.493
-
Prothiocarb +1.042
-
ME501618
-
C18943
1.042
-
Pro Thr Leu
Pro-Thr-Leu
ME501589
-
-
3.97
-
protoporphyrin IX
Protoporphyrin
ME501619
-
C02191
1.411
-
protoporphyrin IX +1.618
Protoporphyrin
ME496401
-
C02191
1.618
-
protoporphyrin IX -8.266
Protoporphyrin
ME501620
-
C02191
8.266
-
Protoveratrine A
Protoveratrine A
ME501621
-
C10815
4.455
-
Pro Trp Met
Pro-Trp-Met
ME501590
-
-
4.451
-
Pro Trp Phe
Pro-Trp-Phe
ME493546
-
-
6.4242496
-
Pro Val
Pro-Val
ME493547
-
-
3.41675
-
Pro Val +1.4015
Pro-Val
ME493548
-
-
1.4015
-
Pro Val +1.6525
Pro-Val
ME493549
-
-
1.6525
-
Pro Val -3.413
Pro-Val
ME501591
-
-
3.413
-
Pro Val Asn
Pro-Val-Asn
ME501592
-
-
3.344
-
Pro Val Asn +1.3911667
Pro-Val-Asn
ME492382
-
-
1.3911667
-
Pro Val Asn +3.6245
Pro-Val-Asn
ME496391
-
-
3.6245
-
Pro Val Asn +4.0038
Pro-Val-Asn
ME492886
-
-
4.0038
-
Pro Val Asn -7.5230002
Pro-Val-Asn
ME494524
-
-
7.5230002
-
Pro Val Asp
Pro-Val-Asp
ME496392
-
-
3.711
-
Pro Val Val
Pro-Val-Val
ME493550
-
-
4.05475
-
PS(12:0/0:0)
LPS 12:0/0:0
ME501622
-
-
3.323
-
PS(12:0/18:3(6Z,9Z,12Z))
PS 12:0/18:3(6Z,9Z,12Z)*
ME501623
-
-
6.599
-
PS(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501624
-
-
6.59
-
PS(14:0/15:0)
PS 14:0/15:0*
ME492386
-
-
0.8913333
-
PS(14:1(9Z)/0:0)
PS 14:1(9Z)/0:0
ME501625
-
-
5.878
-
PS(14:1(9Z)/0:0) +5.955
PS 14:1(9Z)/0:0
ME501626
-
-
5.955
-
PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PS 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)*
ME501627
-
-
6.622
-
PS(15:1(9Z)/17:1(9Z))
PS 15:1(9Z)/17:1(9Z)*
ME501628
-
-
6.225
-
PS(16:0/0:0)
LPS 16:0/0:0
ME501629
-
-
6.922
-
PS(16:0/0:0) -6.43
LPS 16:0/0:0
ME501630
-
-
6.43
-
PS(17:0/22:1(11Z))
PS 17:0/22:1(11Z)
ME492891
-
-
13.719999
-
PS(17:0/22:1(11Z)) +12.13
PS 17:0/22:1(11Z)
ME501631
-
-
12.13
-
PS(18:0/0:0)
LPS 18:0/0:0
ME493555
-
-
11.66175
-
PS(18:0/0:0) +11.664083
LPS 18:0/0:0
ME491073
-
-
11.664083
-
PS(18:1(9Z)/0:0)
PS 18:1(9Z)/0:0
ME496402
-
-
6.8059998
-
PS(18:1(9Z)/0:0) -7.274
PS 18:1(9Z)/0:0
ME501632
-
-
7.274
-
PS(18:1(9Z)/0:0) -7.6295
PS 18:1(9Z)/0:0
ME496403
-
-
7.6295
-
PS(18:2(9Z,12Z)/12:0)
PS 18:2(9Z,12Z)/12:0*
ME501633
-
-
0.892
-
PS(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PS 18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME501634
-
-
12.464
-
PS(19:0/0:0)
LPS 19:0/0:0
ME491518
-
-
5.8324447
-
PS(19:0/0:0) +11.876
LPS 19:0/0:0
ME492892
-
-
11.876
-
PS(19:0/0:0) +5.918
LPS 19:0/0:0
ME496404
-
-
5.918
-
PS(19:0/0:0) +5.970375
LPS 19:0/0:0
ME491747
-
-
5.970375
-
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME496405
-
-
6.1800003
-
PS(19:1(9Z)/14:1(9Z))
PS 19:1(9Z)/14:1(9Z)*
ME491748
-
-
6.649
-
PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME496406
-
-
6.645
-
PS(20:1(11Z)/0:0)
PS 20:1(11Z)/0:0
ME501635
-
-
7.598
-
PS(20:1(11Z)/14:0)
PS 20:1(11Z)/14:0*
ME501636
-
-
0.907
-
PS(22:0/22:0)
PS 22:0/22:0
ME493556
-
-
14.583501
-
PS(22:0/22:0) +14.582001
PS 22:0/22:0
ME496407
-
-
14.582001
-
PS(22:2(13Z,16Z)/0:0)
PS 22:2(13Z,16Z)/0:0*
ME491362
-
-
12.322499
-
PS(22:2(13Z,16Z)/0:0) +12.328
PS 22:2(13Z,16Z)/0:0*
ME496408
-
-
12.328
-
PS(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
PS 22:4(7Z,10Z,13Z,16Z)/14:1(9Z)*
ME496409
-
-
0.90250003
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME492893
-
-
3.4186
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)*
ME501637
-
-
5.516
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,...
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME501638
-
-
10.59
-
Pseudaminic acid
-
ME501643
-
C20082
4.663
-
Pseudaminic acid +1.007
-
ME501644
-
C20082
1.007
-
Pseudaminic acid -3.415
-
ME501645
-
C20082
3.415
-
Pseudolycorine
-
ME496410
-
C12187
3.8815
-
Pseudolycorine +4.255
-
ME501646
-
C12187
4.255
-
Pseudopelletierine
psi-Pelletierine
ME501647
-
C10865
6.9
-
Pseudopelletierine +1.628
psi-Pelletierine
ME501648
-
C10865
1.628
-
Pseudoprotodioscin
-
ME494532
-
-
5.836333
-
Pseudorhodomyrtoxin
psi-Rhodomyrtoxin
ME501649
-
C08951
7.007
-
Pseudouridine
Pseudouridine
ME491749
-
C02067
1.7005
-
Pseudouridine -1.094
Pseudouridine
ME501650
-
C02067
1.094
-
Pseudouridine -1.331
Pseudouridine
ME496411
-
C02067
1.331
-
Pseudouridine +1.33525
Pseudouridine
ME491750
-
C02067
1.33525
-
Pseudouridine -1.6374445
Pseudouridine
ME491520
-
C02067
1.6374445
-
Pseudouridine -1.6897999
Pseudouridine
ME492894
-
C02067
1.6897999
-
Psilocybin
Psilocybin
ME501651
-
C07576
5.595
-
PSN375963
-
ME501652
-
-
3.716
-
PSN632408
-
ME501653
-
-
10.325
-
PSN632408 +10.371
-
ME501654
-
-
10.371
-
PS(O-16:0/0:0)
PS O-16:0/0:0*
ME493557
-
-
6.3
-
PS(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME494531
-
-
0.9036667
-
PS(O-18:0/17:0)
PS O-18:0/17:0
ME490857
-
-
13.720857
-
PS(O-20:0/0:0)
PS O-20:0/0:0
ME490962
-
-
5.988616
-
PS(O-20:0/0:0) +5.8921113
PS O-20:0/0:0
ME491519
-
-
5.8921113
-
PS(O-20:0/14:1(9Z))
PS O-20:0/14:1(9Z)*
ME491200
-
-
0.9040909
-
PS(O-20:0/16:0)
PS O-20:0/16:0
ME501639
-
-
0.898
-
PS(O-20:0/17:2(9Z,12Z))
PS O-20:0/17:2(9Z,12Z)*
ME493558
-
-
12.1455
-
PS(P-16:0/0:0)
PS P-16:0/0:0
ME501640
-
-
11.64
-
PS(P-16:0/0:0) +11.6375
PS P-16:0/0:0
ME491074
-
-
11.6375
-
PS(P-16:0/0:0) +11.699564
PS P-16:0/0:0
ME490586
-
-
11.699564
-
PS(P-16:0/14:1(9Z))
PS P-16:0/14:1(9Z)
ME493559
-
-
0.89049995
-
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME492387
-
-
5.7530003
-
PS(P-18:0/0:0)
PS P-18:0/0:0*
ME501641
-
-
7.645
-
PS(P-18:0/0:0) +6.814
PS P-18:0/0:0*
ME501642
-
-
6.814
-
PS(P-20:0/0:0)
PS P-20:0/0:0*
ME490587
-
-
5.2409377
-
PtdIns-(3,4,5)-P3 (1-stearoyl, 2-docosahexaenoyl)
-
ME501655
-
-
3.433
-
PtdIns-(5)-P1 (1,2-dipalmitoyl)
-
ME501656
-
-
10.604
-
Pteridine
Pteridine
ME492388
-
C07581
3.2101662
-
Ptilosteroid A
-
ME491751
-
-
6.8665004
-
Putrescine
Putrescine
ME501657
-
C00134
1.4
-
Pymetrozine
Pymetrozine
ME492028
-
C18590
1.392143
-
Pymetrozine +3.262
Pymetrozine
ME501658
-
C18590
3.262
-
Pymetrozine +3.805
Pymetrozine
ME494533
-
C18590
3.805
-
Pyocyanine
-
ME501659
-
C01748
4.418
-
Pyracarbolid
-
ME501660
-
C18914
6.745
-
Pyrazinamide
Pyrazinamide
ME501661
-
C01956
4.781
-
Pyrazosulfuron
-
ME493560
-
C18889
4.53175
-
Pyributicarb
-
ME501662
-
C18422
1.386
-
Pyriculol
-
ME496412
-
C16788
0.98
-
Pyridine
Pyridine
ME496413
-
C00747
3.103
-
Pyridostigmine
Pyridostigmine
ME493561
-
C07410
3.296
-
Pyridoxamine-5'-Phosphate
Pyridoxamine 5'-phosphate
ME501663
-
C00647
1.229
-
Pyrimethanil
-
ME496414
-
C11180
1.1985
-
Pyrimidodiazepine
-
ME490963
-
C02587
1.0336154
-
Pyrimidodiazepine +1.0908333
-
ME492389
-
C02587
1.0908333
-
Pyrithiobac
-
ME492029
-
C18805
4.137572
-
Pyrithiobac -4.1235
-
ME493562
-
C18805
4.1235
-
Pyroquilon
-
ME494534
-
C18487
3.9873333
-
Pyroquilon +3.979
-
ME501664
-
C18487
3.979
-
Pyroquilon +4.4876666
-
ME494535
-
C18487
4.4876666
-
Quercetagetin 5,6,7,3',4'-pentamethyl ether
-
ME501665
-
-
6.241
-
Quercetin 3-(2''-galoylrutinoside)
-
ME501666
-
-
13.225
-
Quercetin 3-O-(6-O-malonyl-?-D-glucoside)
Quercetin 3-O-malonylglucoside
ME501667
-
C12638
7.791
-
Quercetin 3-sambubioside-3'-glucoside
-
ME494536
-
-
3.4253337
-
Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside
-
ME501668
-
-
6.898
-
(+)-Quercitol
-
ME494632
-
C08258
1.1265
-
Queuine
Queuine
ME496415
-
C01449
0.971
-
Queuine +1.0025
Queuine
ME496416
-
C01449
1.0025
-
Queuine +2.659
Queuine
ME501669
-
C01449
2.659
-
Queuosine
-
ME492895
-
-
3.0558002
-
Quinacetol
-
ME490588
-
C18944
3.96675
-
Quinacetol +4.446
-
ME501670
-
C18944
4.446
-
Quinagolide
-
ME491201
-
-
6.649454
-
Quinagolide +6.7464447
-
ME491521
-
-
6.7464447
-
Quinamide Isopropylidene
-
ME493563
-
-
1.0835
-
Quinamide Isopropylidene +1.689
-
ME501671
-
-
1.689
-
Quinaprilat
Quinaprilat
ME501672
-
-
3.6
-
Quinidine-10,11-dihydrodiol
-
ME501673
-
-
7.138
-
Quinidinone
-
ME494537
-
C16728
7.543667
-
Quinine Ethyl Carbonate
-
ME493564
-
-
13.14625
-
Quinoline alkaloid
-
ME492390
-
-
11.092167
-
Quinoxaline
-
ME501674
-
C18575
3.156
-
(R)-2,3-Dihydroxypropane-1-sulfonate
(2R)-3-sulfopropanediol
ME496664
-
C19675
1.082
-
(R)-2,3-Dihydroxypropane-1-sulfonate -1.1296667
(2R)-3-sulfopropanediol
ME493643
-
C19675
1.1296667
-
(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Homocitric acid
ME494667
-
C01251
1.385
-
(R)-2-Hydroxybutane-1,2,4-tricarboxylate +0.885
Homocitric acid
ME492953
-
C01251
0.885
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid
-
ME490282
-
C02237
0.93137497
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid -1.3888001
-
ME492437
-
C02237
1.3888001
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid +1.398
-
ME496661
-
C02237
1.398
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid -1.559
-
ME496662
-
C02237
1.559
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid -1.6190834
-
ME490970
-
C02237
1.6190834
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid +1.622
-
ME494666
-
C02237
1.622
-
(R)-3,4-Dimethoxydalbergione
-
ME496665
-
-
3.52
-
(R)-4'-Deoxyindenestrol
-
ME496666
-
C14541
4.15
-
(R)-AMAA
-
ME492061
-
C13739
1.2565001
-
Ramifenazone
-
ME492896
-
-
0.934
-
Randainol
Randainol
ME496417
-
C10878
3.7399998
-
Ranunculin
Ranunculin
ME501675
-
C08512
1.071
-
Raucaffricine
-
ME501676
-
C02074
6.862
-
Red chlorophyll catabolite
-
ME492391
-
C18022
6.956333
-
Red chlorophyll catabolite +9.1275
-
ME496418
-
C18022
9.1275
-
Remikiren
-
ME496419
-
C07465
5.352
-
Remikiren +5.5135
-
ME491363
-
C07465
5.5135
-
Remikiren +5.6701665
-
ME492392
-
C07465
5.6701665
-
Remikiren +5.6755
-
ME496420
-
C07465
5.6755
-
Remikiren +6.137
-
ME501677
-
C07465
6.137
-
Repin
-
ME501678
-
-
5.751
-
Repin +5.517
-
ME501679
-
-
5.517
-
Repin -5.736
-
ME501680
-
-
5.736
-
Repin -6.115
-
ME501681
-
-
6.115
-
Repin +6.1305
-
ME496421
-
-
6.1305
-
(R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-...
-
ME496667
-
-
1.384
-
Resiniferatoxin
-
ME496422
-
C09179
6.9145
-
Resolvin D4
Resolvin D4
ME490589
-
-
13.121812
-
Resolvin D4 +12.729698
Resolvin D4
ME491364
-
-
12.729698
-
Resolvin D4 +5.591
Resolvin D4
ME501682
-
-
5.591
-
Resolvin D4 +5.6595006
Resolvin D4
ME493565
-
-
5.6595006
-
Resolvin D4 +5.753
Resolvin D4
ME501683
-
-
5.753
-
Resolvin E2
Resolvin E2
ME501684
-
C18173
7.572
-
Retinyl glucuronide
-
ME501685
-
-
6.89
-
Retinyl glucuronide +7.276
-
ME501686
-
-
7.276
-
Retreversine
-
ME501687
-
-
5.609
-
Retronecine
Retronecine
ME501688
-
C06177
0.945
-
Retronecine +3.4016666
Retronecine
ME494538
-
C06177
3.4016666
-
Retronecine +4.2815
Retronecine
ME496423
-
C06177
4.2815
-
Retronecine +4.491
Retronecine
ME501689
-
C06177
4.491
-
Retusoquinone
-
ME493566
-
-
11.712
-
Retusoquinone +6.804
-
ME501690
-
-
6.804
-
Retusoquinone +9.474
-
ME501691
-
-
9.474
-
(R)-Flurbiprofen
-
ME494668
-
-
4.8715
-
RG-14620
-
ME501692
-
-
5.308
-
Rhipocephalin
Rhipocephalin
ME494539
-
C09714
7.7676673
-
Rhizocticin A
Rhizocticin A
ME492393
-
C17944
3.1548336
-
Rhizocticin A +4.872
Rhizocticin A
ME501693
-
C17944
4.872
-
(R)-(Homo)3-citrate
-
ME496663
-
C16598
4.558
-
Riboflavin (Vitamin B2)
Riboflavin
ME494540
-
C00255
4.7506666
-
Ribose triphosphate
-
ME496424
-
C02884
0.87549996
-
Rifamycin
Rifamycin
ME501694
-
C12044
6.53
-
Rifamycin +6.599
Rifamycin
ME501695
-
C12044
6.599
-
Rifamycin Z
-
ME501696
-
C14723
6.96
-
Rilmenidine
Rilmenidine
ME492897
-
C11120
1.3158
-
(R)-Indenestrol A
-
ME493644
-
C14546
5.531667
-
Ripazepam
-
ME494541
-
C19518
0.99333334
-
Ripazepam -3.931
-
ME501697
-
C19518
3.931
-
Rishitin
Rishitin
ME490590
-
C09715
9.453313
-
Rishitin -10.58
Rishitin
ME496425
-
C09715
10.58
-
Rishitin -11.446188
Rishitin
ME490591
-
C09715
11.446188
-
Rishitin -13.428584
Rishitin
ME491075
-
C09715
13.428584
-
Rishitin -13.721308
Rishitin
ME490964
-
C09715
13.721308
-
Rishitin -14.087999
Rishitin
ME496426
-
C09715
14.087999
-
Rishitin +3.9676666
Rishitin
ME494542
-
C09715
3.9676666
-
Rishitin +5.181
Rishitin
ME501698
-
C09715
5.181
-
Rishitin -8.740714
Rishitin
ME490858
-
C09715
8.740714
-
Rishitin +8.914
Rishitin
ME501699
-
C09715
8.914
-
Rishitin +8.92
Rishitin
ME501700
-
C09715
8.92
-
Rishitin -9.541
Rishitin
ME501701
-
C09715
9.541
-
Risperidone
Risperidone
ME491202
-
C07238
7.4231815
-
Risperidone -7.1718
Risperidone
ME492898
-
C07238
7.1718
-
Risperidone -7.3375
Risperidone
ME496427
-
C07238
7.3375
-
Risperidone -7.467834
Risperidone
ME492394
-
C07238
7.467834
-
Risperidone -7.6067495
Risperidone
ME491752
-
C07238
7.6067495
-
Risperidone -7.747
Risperidone
ME501702
-
C07238
7.747
-
Risperidone -7.7713337
Risperidone
ME491522
-
C07238
7.7713337
-
Risperidone -7.8268
Risperidone
ME492899
-
C07238
7.8268
-
Ritanserin
-
ME496428
-
-
13.943
-
Rivastigmine
Rivastigmine
ME501703
-
C11766
4.829
-
Rivastigmine +3.207
Rivastigmine
ME501704
-
C11766
3.207
-
Rivastigmine +4.6425
Rivastigmine
ME496429
-
C11766
4.6425
-
Rivastigmine -4.775
Rivastigmine
ME501705
-
C11766
4.775
-
(R)-Lactate
Lactic acid
ME492954
-
C00256
0.94624996
-
(R)-Lactate -1.3878
Lactic acid
ME490619
-
C00256
1.3878
-
Ro 31-7549
-
ME501706
-
-
4.532
-
RO 40-5966 (Methylmibefradil Metabolite)
-
ME490743
-
-
4.973533
-
RO 40-5966 (Methylmibefradil Metabolite) +10.148
-
ME501707
-
-
10.148
-
Robustaol A
Robustaol A
ME501708
-
C09968
1.616
-
Robustaol A -3.42
Robustaol A
ME496430
-
C09968
3.42
-
Robustine
Robustine
ME501709
-
C10736
3.922
-
Rogioldiol A
-
ME492900
-
-
6.8904
-
Rolitetracycline
-
ME496431
-
C12933
1.3985
-
Rosaniline
-
ME492395
-
C19252
9.142167
-
Rosmarinine
Rosmarinine
ME501710
-
C10380
4.726
-
Rosmarinine -4.715
Rosmarinine
ME501711
-
C10380
4.715
-
RU-0211
Lubiprostone
ME494543
-
C13707
5.75
-
Rubraflavone C
-
ME493567
-
-
3.0482502
-
Rubusoside
-
ME496432
-
-
7.1295
-
Rubusoside -6.7200003
-
ME496433
-
-
6.7200003
-
Rugosinone
Rugosinone
ME501712
-
C09634
6.597
-
Rugosinone -6.944
Rugosinone
ME501713
-
C09634
6.944
-
Rutaecarpine
-
ME501714
-
C09238
1.622
-
Rutaecarpine +4.066
-
ME501715
-
C09238
4.066
-
Ryanodine
-
ME501716
-
C08705
6.861
-
S 1319
-
ME501717
-
C16880
3.664
-
S-(2,4-Dinitrophenyl)glutathione
S-(2,4-Dinitrophenyl)glutathione
ME501718
-
C11175
6.391
-
(S)-2-Ethyl-3-hydroxypropionic acid
-
ME492438
-
-
3.2946
-
(S)-2-Ethyl-3-hydroxypropionic acid -3.281
-
ME496668
-
-
3.281
-
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine
N-Acetyl-S- (2-hydroxyethyl)-cysteine
ME501719
-
C14876
1.396
-
S-(2-Methylbutanoyl)-dihydrolipoamide
-
ME501720
-
C15979
3.686
-
S-(2-Methylbutanoyl)-dihydrolipoamide +1.354
-
ME501721
-
C15979
1.354
-
S-(2-Methylpropionyl)-dihydrolipoamide-E
S-(2-Methylpropionyl)-dihydrolipoamide-E
ME501722
-
C15977
1.39
-
(S)-3'-Hydroxycoclaurine
-
ME492439
-
C06519
5.6806
-
S-(3-Methylbutanoyl)-dihydrolipoamide-E
-
ME501723
-
C15975
3.069
-
(S)-5-Deoxyindenestrol
-
ME492955
-
C14544
4.1447496
-
(S)-6-O-Methylnorlaudanosoline
-
ME494669
-
C06517
4.0039997
-
Saccharin
Saccharin
ME492901
-
C12284
3.7012
-
S-Acetyldihydrolipoamide-E
-
ME501726
-
C16255
1.013
-
Sachaliside 2
-
ME494544
-
-
6.9396667
-
Sachaliside 2 -6.9323335
-
ME494545
-
-
6.9323335
-
Sagittatoside B
-
ME501727
-
-
6.905
-
Salermide
-
ME501728
-
-
3.403
-
Salicin
Salicin
ME492030
-
C01451
5.602857
-
Salicyluric acid
Salicyluric acid
ME496434
-
C07588
3.8730001
-
Salidroside
4-Hydroxyphenyl-2-ethylglucopyranoside
ME501729
-
C06046
5.321
-
Salidroside +0.987
4-Hydroxyphenyl-2-ethylglucopyranoside
ME501730
-
C06046
0.987
-
Salidroside +1.625
4-Hydroxyphenyl-2-ethylglucopyranoside
ME501731
-
C06046
1.625
-
S-Allyl-L-cysteine
S-Allylcysteine
ME494546
-
C16759
1.7210001
-
S-Allyl-L-cysteine +1.684
S-Allylcysteine
ME496435
-
C16759
1.684
-
Salsalate
-
ME501732
-
D00428
7.338
-
(-)-Salvisyriacolide
-
ME492937
-
-
9.7075
-
(-)-Salvisyriacolide -6.902
-
ME496583
-
-
6.902
-
Samandarine
Samandarine
ME496436
-
C19950
8.0795
-
Saphenic acid methyl ester
Saphenic acid methyl ester
ME496437
-
C12118
4.8355
-
Saquinavir
-
ME491203
-
C07243
12.51909
-
Sarcostin
-
ME491076
-
C17770
11.893917
-
Sarmentosin epoxide
-
ME491753
-
C08341
1.377625
-
Sarmentosin epoxide -1.067
-
ME501733
-
C08341
1.067
-
Sarmentosin epoxide -1.312
-
ME501734
-
C08341
1.312
-
Sarpagine
-
ME501735
-
C09239
5.035
-
Sarracine
-
ME491754
-
C10383
10.408
-
Sarracine +5.326
-
ME501736
-
C10383
5.326
-
(S)-ATPA
(S)-ATPA
ME496669
-
C13733
2.162
-
(S)-ATPA +1.352
(S)-ATPA
ME496670
-
C13733
1.352
-
(S)-ATPA +3.1605003
(S)-ATPA
ME490971
-
C13733
3.1605003
-
(S)-ATPA +3.2523334
(S)-ATPA
ME493645
-
C13733
3.2523334
-
(S)-ATPA -3.727
(S)-ATPA
ME496671
-
C13733
3.727
-
Satratoxin H
-
ME496438
-
C20017
7.763
-
Satratoxin H -9.058
-
ME501737
-
C20017
9.058
-
Saxitoxin
Saxitoxin
ME501738
-
C13757
1.153
-
SB 200646
-
ME501739
-
C11739
1.43
-
SB 206553
SB 206553
ME501740
-
C11740
5.452
-
SB 218655
-
ME492902
-
C14316
4.4472
-
SB 218655 +1.398
-
ME501741
-
C14316
1.398
-
SB 243213
-
ME501742
-
C11743
3.154
-
SB 431542
-
ME501743
-
-
1.397
-
(S)-b-amino-isobutyric acid
beta-Aminoisobutyric acid
ME493646
-
C03284
1.3889999
-
(S)-beta-Methylindolepyruvate
-
ME492440
-
C03914
3.7121997
-
Scandoside methyl ester
Scandoside methyl ester
ME501744
-
C09798
1.613
-
Scarlet Red
-
ME494547
-
C19520
10.595666
-
(+)-Sceletium A4
-
ME496597
-
C12259
5.433
-
Schizandrin
-
ME501745
-
C17064
5.683
-
Schizandrin C
-
ME494548
-
C10893
6.875
-
Schizandrin C -6.747
-
ME501746
-
C10893
6.747
-
Schizonepetoside E
-
ME501747
-
C17638
1.618
-
Sciadopitysin
Sciadopitysin
ME501748
-
C10182
8.254
-
Sciadopitysin +6.714
Sciadopitysin
ME501749
-
C10182
6.714
-
Scillabiose
-
ME496439
-
C19635
4.489
-
Scillaren A
Scillaren A
ME501750
-
C08879
6.79
-
Sclerotiorin
-
ME501751
-
-
7.624
-
Scopolamine N-oxide
-
ME501752
-
-
3.568
-
Scopolamine N-oxide +5.979
-
ME501753
-
-
5.979
-
Scopolamine N-oxide +6.2305
-
ME496440
-
-
6.2305
-
Scopolin
Scopolin
ME492031
-
C01527
5.6029997
-
Scorpioidin
Scorpioidin
ME501754
-
C09548
9.487
-
Scutellarein 6,4'-dimethyl ether 7-(3'''-acetylrut...
-
ME501755
-
-
3.332
-
Se-Adenosylselenohomocysteine
-
ME491524
-
C05692
3.4161112
-
Secbumeton
-
ME496441
-
C19106
1.6405001
-
Secnidazole
-
ME490859
-
-
1.3341429
-
Secnidazole +1.277
-
ME492396
-
-
1.277
-
Secnidazole -1.3566666
-
ME494549
-
-
1.3566666
-
Secobarbital
Secobarbital
ME492397
-
-
4.7358336
-
Secobarbital +0.99249995
Secobarbital
ME491755
-
-
0.99249995
-
Secobarbital +1.395
Secobarbital
ME496442
-
-
1.395
-
Secogalioside
Secogalioside
ME501756
-
C11674
1.385
-
sec-o-Glucosylhamaudol
-
ME501757
-
C17484
4.927
-
Selamectin
-
ME501758
-
-
0.882
-
Selenocystine
-
ME501759
-
C05704
0.873
-
Semustine
-
ME501760
-
C07640
3.69
-
Senaetnine
-
ME501761
-
C10386
3.774
-
Senaetnine +1.394
-
ME501762
-
C10386
1.394
-
Senaetnine -3.514
-
ME501764
-
C10386
3.514
-
Senaetnine +4.322
-
ME501763
-
C10386
4.322
-
Sennoside D
-
ME501765
-
C16798
6.83
-
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide
-
ME491523
-
C08295
3.4738889
-
Ser-Abu-OH
-
ME501781
-
-
7.195
-
Ser Arg
Ser-Arg
ME501766
-
-
3.334
-
Ser Asn Thr
Ser-Asn-Thr
ME501767
-
-
4.337
-
Ser Asn Val
Ser-Asn-Val
ME496443
-
-
0.94
-
Ser Asn Val -0.9353333
Ser-Asn-Val
ME494550
-
-
0.9353333
-
Ser Gln Gln
Ser-Gln-Gln
ME501768
-
-
3.417
-
Ser-Gly-OH
-
ME501782
-
-
4.953
-
Ser-Gly-OH +5.244
-
ME501783
-
-
5.244
-
Ser Gly Ser
Ser-Gly-Ser
ME501769
-
-
5.397
-
Ser His His
Ser-His-His
ME490592
-
-
9.454438
-
Ser His His -10.078199
Ser-His-His
ME492903
-
-
10.078199
-
Ser His His +5.527
Ser-His-His
ME501770
-
-
5.527
-
Ser His His +5.567
Ser-His-His
ME501771
-
-
5.567
-
Ser His Lys
Ser-His-Lys
ME501772
-
-
6.116
-
Sericetin Diacetate
-
ME501784
-
-
10.005
-
Ser-Ile-OH
-
ME492904
-
-
1.1372001
-
Ser-Ile-OH +1.103
-
ME501785
-
-
1.103
-
Ser-Ile-OH +1.629
-
ME501786
-
-
1.629
-
Ser Lys Ile
Ser-Lys-Ile
ME501773
-
-
1.338
-
Ser Lys Ile +0.95
Ser-Lys-Ile
ME501774
-
-
0.95
-
Ser-Lys-OH
-
ME501787
-
-
1.401
-
Ser Met Asp
Ser-Met-Asp
ME501775
-
-
1.64
-
Ser Met Leu
Ser-Met-Leu
ME501776
-
-
3.903
-
Ser-Met-OH
-
ME496447
-
-
3.5235
-
Ser-Met-OH -3.484
-
ME501788
-
-
3.484
-
Serotonin
Serotonin
ME494551
-
C00780
1.403
-
Ser Pro Pro
Ser-Pro-Pro
ME493568
-
-
3.1725
-
Serratanidine
-
ME491525
-
C09899
5.5896664
-
Serratine
Serratine
ME501789
-
C09901
2.99
-
Serratine +3.1
Serratine
ME501790
-
C09901
3.1
-
Serratine +4.05
Serratine
ME501791
-
C09901
4.05
-
Serratine +4.169
Serratine
ME501792
-
C09901
4.169
-
Serratine +4.355
Serratine
ME501793
-
C09901
4.355
-
Ser Ser Asp
Ser-Ser-Asp
ME496444
-
-
6.96
-
Ser-Ser-OH
-
ME492032
-
-
1.2417144
-
Ser-Ser-OH -1.288
-
ME496448
-
-
1.288
-
Ser-Ser-OH -1.613
-
ME501794
-
-
1.613
-
Ser-Ser-OH -1.638
-
ME501795
-
-
1.638
-
Ser Ser Trp
Ser-Ser-Trp
ME496445
-
-
1.1445
-
Ser Thr
Ser-Thr
ME501777
-
-
3.292
-
Ser Thr Gly
Ser-Thr-Gly
ME496446
-
-
1.003
-
Ser Thr Ile
Ser-Thr-Ile
ME501778
-
-
4.429
-
Ser Val Val
Ser-Val-Val
ME501779
-
-
3.576
-
Ser Val Val +4.067
Ser-Val-Val
ME501780
-
-
4.067
-
Sesamose
-
ME501796
-
C08248
1.056
-
Sesartemin
-
ME501797
-
C10884
1.389
-
Sethoxydim
-
ME501798
-
C18539
1.396
-
Shihunine
Shihunine
ME494552
-
C10615
5.796
-
Shihunine -4.58
Shihunine
ME501799
-
C10615
4.58
-
Siduron
-
ME501800
-
C18435
1.259
-
Silafluofen
-
ME490860
-
C18412
11.478928
-
Silafluofen -11.528934
-
ME490744
-
C18412
11.528934
-
Silandrin
Silandrin
ME501801
-
C08600
7.403
-
Silandrin -6.393
Silandrin
ME501802
-
C08600
6.393
-
Simeconazole
-
ME501803
-
C18544
4.022
-
Simplexin
-
ME496449
-
C09185
7.777
-
Simvastatin-6'-carboxylic acid
-
ME501804
-
-
6.604
-
Simvastatin-6'-carboxylic acid -5.561
-
ME501806
-
-
5.561
-
Simvastatin-6'-carboxylic acid +7.209
-
ME501805
-
-
7.209
-
Sisomicin
Sisomycin
ME496450
-
C00494
7.5575
-
(S)-Lisofylline
-
ME492441
-
-
0.86020005
-
(S)-Lisofylline +1.279
-
ME496672
-
-
1.279
-
(S)-Lisofylline +1.619
-
ME496673
-
-
1.619
-
(S)-Lisofylline +3.5
-
ME496674
-
-
3.5
-
SM(d16:0/22:0)
SM 16:0;O2/22:0
ME492033
-
-
0.9038571
-
SM(d18:2/21:0)
SM 18:2;O2/21:0
ME492398
-
-
0.9051666
-
S-Methyl-1-thio-D-glycerate
-
ME494553
-
C03804
1.44
-
S-methylcaptopril
-
ME501807
-
-
3.409
-
S-Methyl-L-Thiocitrulline
-
ME494554
-
-
3.0186665
-
S-Methyl-L-Thiocitrulline +3.409
-
ME501808
-
-
3.409
-
S-Methyl-L-Thiocitrulline +3.413
-
ME501809
-
-
3.413
-
S-Methyl-L-Thiocitrulline +3.808
-
ME501810
-
-
3.808
-
(S)-Mevalonic acid
-
ME494670
-
C02104
0.921
-
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomet...
-
ME496676
-
C01313
3.972
-
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomet...
-
ME496675
-
C01314
3.582
-
sn-3-O-(geranylgeranyl)glycerol 1-phosphate
-
ME501811
-
C04590
6.706
-
sn-3-O-(geranylgeranyl)glycerol 1-phosphate -8.199
-
ME501812
-
C04590
8.199
-
Sobetirome
-
ME501813
-
C15618
0.996
-
Sobetirome +3.536
-
ME501814
-
C15618
3.536
-
Sobetirome -5.588
-
ME501815
-
C15618
5.588
-
Solamargine
Solamargine
ME501816
-
C10819
6.736
-
Solanidine
Solanidine
ME491526
-
C06543
8.325
-
Solanidine +8.424
Solanidine
ME501817
-
C06543
8.424
-
Solanidine +8.839
Solanidine
ME501818
-
C06543
8.839
-
Solanine
-
ME492034
-
C10820
6.025143
-
Solanocapsine
Solanocapsine
ME501819
-
C10821
5.346
-
Songorine
Songorine
ME501820
-
C08707
6.159
-
Sophoracoumestan A
Sophoracoumestan A
ME501821
-
-
3.482
-
Sophoracoumestan B
-
ME490745
-
-
0.8744667
-
Sophoranol
-
ME496451
-
C17069
3.705
-
Sophoranone
Sophoranone
ME491527
-
C08719
7.3854446
-
Soraphen A
-
ME501822
-
C11300
7.084
-
Soraphen A +6.321
-
ME501823
-
C11300
6.321
-
Soraphen A +7.821
-
ME501824
-
C11300
7.821
-
Soraphen O
-
ME490965
-
C15818
11.593001
-
Soraphen O -10.32
-
ME501827
-
C15818
10.32
-
Soraphen O +12.456
-
ME501825
-
C15818
12.456
-
Soraphen O +7.379
-
ME501826
-
C15818
7.379
-
Sotalol
Sotalol
ME501828
-
C07309
3.741
-
Soyasaponin I
Soyasaponin I
ME501829
-
C08983
10.587
-
Soyasaponin III
Soyasaponin III
ME494555
-
C19865
5.7400002
-
Sparfloxacin
Sparfloxacin
ME492905
-
C07662
3.661
-
Sparfloxacin +3.73
Sparfloxacin
ME501830
-
C07662
3.73
-
Spectinomycin
Spectinomycin
ME492906
-
C02078
1.3845999
-
Spectinomycin +1.0125
Spectinomycin
ME493569
-
C02078
1.0125
-
Spectinomycin -9.6622
Spectinomycin
ME492907
-
C02078
9.6622
-
Spenolimycin
-
ME493570
-
C17970
1.0685
-
Spenolimycin +1.3979999
-
ME494556
-
C17970
1.3979999
-
Spermidine
Spermidine
ME492399
-
C00315
0.81883335
-
Spermidine +0.865
Spermidine
ME501831
-
C00315
0.865
-
Spermidine +1.0525
Spermidine
ME496452
-
C00315
1.0525
-
Sphaerodiene
-
ME501832
-
-
5.683
-
Sphaerodiene +5.777
-
ME501833
-
-
5.777
-
S-(Phenylacetothiohydroximoyl)-L-cysteine
-
ME501724
-
C17237
3.251
-
Sphingofungin A
Sphingofungin A
ME491365
-
-
10.587899
-
Sphingofungin A +6.2262993
Sphingofungin A
ME491366
-
-
6.2262993
-
Sphingofungin A +6.2893333
Sphingofungin A
ME492400
-
-
6.2893333
-
Sphingofungin A -9.705999
Sphingofungin A
ME496453
-
-
9.705999
-
Sphingofungin E
Sphingofungin E
ME496454
-
-
9.891001
-
Sphingosine-1-phosphate
Sphingosine 1-phosphate
ME496455
-
C06124
7.0395
-
Spicatin
-
ME496456
-
C09551
8.337999
-
Spicatin -7.862
-
ME501834
-
C09551
7.862
-
Spinoside A
-
ME501835
-
C08809
6.449
-
Spinosyn K
-
ME501836
-
C15708
0.89
-
(S)-Piperazine-2-carboxylic acid
-
ME496677
-
C19783
3.027
-
Spiperone
-
ME501837
-
-
2.766
-
Spiromesifen
-
ME496457
-
C18488
3.822
-
Spirotetramat
-
ME501838
-
C18807
4.495
-
(-)-Spongiane-15,16-diol
-
ME496584
-
-
11.529
-
Spongipregnoloside A
Spongipregnoloside A
ME496458
-
-
6.227
-
Spongipregnoloside A +6.576
Spongipregnoloside A
ME501839
-
-
6.576
-
(-)-Spruceanol
-
ME492425
-
C09188
5.3522005
-
S,S,S,-Tributylphosphorotrithioate
-
ME501725
-
-
1.389
-
S-Sulfanylglutathione
-
ME494557
-
C17267
3.662
-
Stearamide
Stearamide
ME493571
-
C13846
13.114
-
Stearidonoyl glycine
-
ME496459
-
-
4.3005
-
Steryl sulfate
-
ME492035
-
C02195
6.106
-
Steryl sulfate +1.622
-
ME501840
-
C02195
1.622
-
Stigmatellin A
Stigmatellin a
ME501841
-
C12148
8.35
-
Stizolobinate
-
ME496460
-
C06048
0.9555
-
Stoloniferone A
-
ME492036
-
-
13.725428
-
Stoloniferone G
-
ME490593
-
-
14.049874
-
Stovaine
Amylocaine
ME490746
-
C14169
11.747466
-
Streptobiosamine
Streptobiosamine
ME501842
-
C07655
0.948
-
Streptobiosamine +1.006
Streptobiosamine
ME496461
-
C07655
1.006
-
Streptomycin 3''-phosphate
-
ME501843
-
C03731
3.433
-
Strictosidine aglycone
Strictosidine aglycone
ME490594
-
C03309
11.776501
-
Strictosidine aglycone +4.14
Strictosidine aglycone
ME501844
-
C03309
4.14
-
Strigolactone ABC-rings
-
ME490595
-
C18036
10.090687
-
Strigolactone ABC-rings +10.077
-
ME501845
-
C18036
10.077
-
Strigolactone ABC-rings +10.136
-
ME496462
-
C18036
10.136
-
Strophanthidinic Acid Lactone Acetate
-
ME501846
-
-
3.814
-
Stypoltrione
-
ME493572
-
-
6.1722503
-
Stypoltrione +9.079
-
ME501847
-
-
9.079
-
Styrene
Styrene
ME492401
-
C07083
4.1635
-
Styrene +2.6575
Styrene
ME496463
-
C07083
2.6575
-
SU 5416
-
ME493573
-
-
3.3252501
-
Succinic acid
Succinic acid
ME496464
-
C00042
1.8610001
-
Succinic acid -1.831
Succinic acid
ME501848
-
C00042
1.831
-
Succinic anhydride
Succinic anhydride
ME496465
-
C19524
1.837
-
Succinic anhydride -1.889
Succinic anhydride
ME501849
-
C19524
1.889
-
Succinylmonocholine
-
ME501850
-
-
5.266
-
Succinylmonocholine +1.393
-
ME501851
-
-
1.393
-
Sucralose
Sucralose
ME491204
-
C12285
5.0423636
-
Sucralose -5.0278335
Sucralose
ME491077
-
C12285
5.0278335
-
Sudan Brown RR
-
ME501852
-
C19528
6.795
-
Sudan Brown RR +5.773
-
ME501853
-
C19528
5.773
-
Sudan I
-
ME501854
-
C19525
3.146
-
Sudan III
-
ME501855
-
C19527
5.923
-
Sulfaphenazole
Sulfaphenazole
ME490596
-
D01954
10.82225
-
Sulfoglycolithocholate
Sulfoglycolithocholic acid
ME494558
-
C11301
6.122333
-
Sulfoglycolithocholate -5.846
Sulfoglycolithocholic acid
ME501856
-
C11301
5.846
-
Sulfoglycolithocholate -6.028
Sulfoglycolithocholic acid
ME501857
-
C11301
6.028
-
Sulfoglycolithocholate -6.651
Sulfoglycolithocholic acid
ME496466
-
C11301
6.651
-
Sulfuric acid
-
ME501858
-
C00059
0.837
-
Sulochrin
Sulochrin
ME501859
-
C00495
1.052
-
Suloctidil
-
ME501860
-
-
7.778
-
Sulpiride
Sulpiride
ME501861
-
C12653
1.393
-
Sunitinib
-
ME492908
-
D06402
7.1956
-
Sunitinib +5.4455004
-
ME496467
-
D06402
5.4455004
-
Sunitinib -7.134
-
ME501862
-
D06402
7.134
-
Supinidine
-
ME494559
-
C10400
6.1426663
-
Supinidine +6.2060003
-
ME496468
-
C10400
6.2060003
-
Suprofen
Suprofen
ME501863
-
C07320
0.998
-
Suprofen -0.952
Suprofen
ME501864
-
C07320
0.952
-
Suprofen Methyl Ester
-
ME501865
-
-
1.332
-
(S)-Ureidoglycolic acid
-
ME496678
-
C00603
1.379
-
Surinamensin
-
ME501866
-
C10888
3.118
-
Surinamensin -5.953
-
ME501867
-
C10888
5.953
-
Suxibuzone
-
ME501868
-
-
4.956
-
Swertianolin
-
ME493574
-
C10093
3.41375
-
Symphytine
-
ME490747
-
C10409
5.8336663
-
Symphytine +5.696143
-
ME492037
-
C10409
5.696143
-
Symphytine +5.9939995
-
ME491528
-
C10409
5.9939995
-
(+)-Syringaresinol
-
ME496598
-
C10889
6.021
-
Syringolin A
-
ME491529
-
C15701
6.3932223
-
Syzygiol
-
ME492402
-
-
6.6375003
-
Tabernamine
-
ME491756
-
C09242
12.307375
-
Tacrolimus
Tacrolimus
ME490597
-
C01375
11.714374
-
Tacrolimus +11.775501
Tacrolimus
ME490598
-
C01375
11.775501
-
Tacrolimus +11.839001
Tacrolimus
ME496469
-
C01375
11.839001
-
Tacrolimus +6.4828334
Tacrolimus
ME492403
-
C01375
6.4828334
-
Tacrolimus +6.569333
Tacrolimus
ME491530
-
C01375
6.569333
-
Tacrolimus metabolite M-IV
-
ME501869
-
-
0.888
-
Tacrolimus metabolite M-VI
-
ME501870
-
-
9.02
-
Tafluprost
-
ME491757
-
-
3.4277499
-
Tagitinin F
-
ME501871
-
C09554
5.805
-
Tamoxifen
-
ME496470
-
C07108
6.182
-
Tamoxifen +5.448
-
ME501872
-
C07108
5.448
-
Tamoxifen +6.256
-
ME501873
-
C07108
6.256
-
Taurine
Taurine
ME491758
-
C00245
0.83625
-
Taurine -0.914
Taurine
ME501874
-
C00245
0.914
-
Taurine +0.92499995
Taurine
ME493575
-
C00245
0.92499995
-
Taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME493576
-
-
3.41975
-
Taurocholic acid 3-sulfate
Taurocholic acid 3-sulfate
ME501875
-
-
3.47
-
Taurodeoxycholic acid
Taurodeoxycholic acid
ME501876
-
-
7.099
-
Taurodeoxycholic acid -7.3805
Taurodeoxycholic acid
ME496471
-
-
7.3805
-
Tauroursocholic acid
Tauroursocholic acid
ME496472
-
-
6.297
-
Tauroursocholic acid +4.9136662
Tauroursocholic acid
ME494560
-
-
4.9136662
-
Tauroursocholic acid +5.250375
Tauroursocholic acid
ME491759
-
-
5.250375
-
Tauroursocholic acid -5.283
Tauroursocholic acid
ME496473
-
-
5.283
-
Tauroursocholic acid -5.394
Tauroursocholic acid
ME501878
-
-
5.394
-
Tauroursocholic acid -5.6649995
Tauroursocholic acid
ME494561
-
-
5.6649995
-
Tauroursocholic acid -6.16
Tauroursocholic acid
ME501879
-
-
6.16
-
Tauroursocholic acid -6.2795
Tauroursocholic acid
ME496474
-
-
6.2795
-
Tauroursocholic acid -6.4356666
Tauroursocholic acid
ME494562
-
-
6.4356666
-
Tauroursocholic acid -7.102
Tauroursocholic acid
ME501880
-
-
7.102
-
Tauroursocholic acid -7.172
Tauroursocholic acid
ME496475
-
-
7.172
-
Tauroursocholic acid +7.184
Tauroursocholic acid
ME501877
-
-
7.184
-
Tauroursocholic acid -7.761
Tauroursocholic acid
ME501881
-
-
7.761
-
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME501882
-
C16868
6.681
-
Tauroursodeoxycholic acid -7.2923336
Tauroursodeoxycholic acid
ME494563
-
C16868
7.2923336
-
Tauroursodeoxycholic acid -8.077
Tauroursodeoxycholic acid
ME496476
-
C16868
8.077
-
Tauroursodeoxycholic acid -9.234
Tauroursodeoxycholic acid
ME501883
-
C16868
9.234
-
Taxine A
Taxine A
ME501884
-
C10619
9.259
-
Tazarotene
-
ME501885
-
C12531
3.541
-
Tazarotene -5.234
-
ME501886
-
C12531
5.234
-
Tebuconazole
-
ME501887
-
C18489
5.553
-
Tebuconazole +5.7496667
-
ME494564
-
C18489
5.7496667
-
Tebutam
-
ME501888
-
C18896
5.716
-
Tebuthiuron
-
ME501889
-
C18436
3.59
-
Tebuthiuron +4.457
-
ME501890
-
C18436
4.457
-
Tecostanine
Tecostanine
ME501891
-
C09989
5.322
-
Teleocidin B-1
-
ME491531
-
C05150
13.755
-
Teleocidin B-1 -14.101
-
ME501892
-
C05150
14.101
-
Temoporfin
-
ME501893
-
C11730
1.623
-
Teniposide
Teniposide
ME492909
-
C11153
10.4126
-
Tenovin-1
-
ME501894
-
-
4.286
-
Tenovin-6
-
ME491760
-
-
4.908
-
Tenovin-6 +5.075
-
ME501895
-
-
5.075
-
Tenuazonic acid
Tenuazonic acid
ME493577
-
C08511
1.39925
-
Tenuazonic acid +1.6275
Tenuazonic acid
ME496477
-
C08511
1.6275
-
Tephcalostan
-
ME501896
-
-
1.232
-
Tephcalostan B
-
ME496478
-
-
0.956
-
Tephroleocarpin B
-
ME496479
-
-
5.2390003
-
(+)-Tephropurpurin
-
ME492940
-
-
1.6235001
-
Tephrowatsin A
Tephrowatsin A
ME501897
-
C09970
5.1
-
Tephrowatsin A +1.397
Tephrowatsin A
ME501898
-
C09970
1.397
-
Tephrowatsin A +4.827
Tephrowatsin A
ME501899
-
C09970
4.827
-
Tephrowatsin B
-
ME501900
-
-
7.219
-
Tephrowatsin B +5.928
-
ME501901
-
-
5.928
-
TEPP
-
ME496480
-
C19017
6.6355
-
Terbacil
-
ME492910
-
C10963
1.3598
-
Terbacil -1.097
-
ME501903
-
C10963
1.097
-
Terbacil +1.39
-
ME501902
-
C10963
1.39
-
Terbacil -1.6133333
-
ME492404
-
C10963
1.6133333
-
Terbacil -3.419
-
ME501904
-
C10963
3.419
-
Terbacil +3.58725
-
ME493578
-
C10963
3.58725
-
Terbinafine metabolite
-
ME492911
-
-
4.014
-
Terbucarb
-
ME501905
-
C19129
6.618
-
Terbutaline-1-glucuronide
-
ME501906
-
-
3.44
-
Terbutaline-1-glucuronide +1.633
-
ME501907
-
-
1.633
-
Terpenoid EA-I
-
ME496481
-
C09198
8.8225
-
Terpenoid EA-I -8.863833
-
ME492405
-
C09198
8.863833
-
tert-butyl p-Toluate
-
ME494565
-
-
1.1353333
-
Testosterone phenylpropionate
-
ME501908
-
C14667
5.951
-
Testosterone phenylpropionate +7.142
-
ME501909
-
C14667
7.142
-
Testosterone sulfate
Testosterone sulfate
ME501910
-
C00535
3.417
-
Tetrabromobisphenol A
-
ME496482
-
C13620
0.87950003
-
Tetrabromobisphenol A -0.8805
-
ME496483
-
C13620
0.8805
-
Tetrac
-
ME501911
-
-
13.745
-
tetradeca-13-en-2,4-diyn-1-ol
-
ME501912
-
-
1.405
-
Tetradecanoic acid, 11-hydroxy-, (S)-; Convolvulin...
-
ME501913
-
-
10.58
-
Tetradecylamine
Tetradecylamine
ME490748
-
-
10.146266
-
Tetradecylamine +10.24
Tetradecylamine
ME501915
-
-
10.24
-
Tetradecylamine +9.153
Tetradecylamine
ME501916
-
-
9.153
-
Tetradecyl sulfate
-
ME490599
-
D06882
10.89725
-
Tetradecyl sulfate +10.095
-
ME501914
-
D06882
10.095
-
Tetradecyl sulfate -11.0895
-
ME490600
-
D06882
11.0895
-
Tetradecyl sulfate +9.541
-
ME492038
-
D06882
9.541
-
Tetradifon
-
ME501917
-
C18451
0.881
-
Tetrahomomethionine
Tetrahomomethionine
ME496484
-
C17225
0.99249995
-
Tetrahomomethionine +0.984
Tetrahomomethionine
ME501918
-
C17225
0.984
-
Tetrahydrocortisone-3,21-diacetate
-
ME501919
-
-
5.689
-
Tetrahydrogeranylgeranyl diphosphate
-
ME501920
-
C17440
6.281
-
Tetrahydroneopterin
-
ME501921
-
-
3.258
-
Tetrahydropteridine
Tetrahydropteridine
ME494566
-
C05650
1.1713333
-
Tetrahydropteridine +1.115
Tetrahydropteridine
ME501922
-
C05650
1.115
-
Tetranitromethane
-
ME494567
-
C19300
0.839
-
Tetranor Iloprost
-
ME501923
-
-
9.526
-
Tetranor Iloprost +1.073
-
ME501924
-
-
1.073
-
Tetranor-PGE1
Tetranor-PGE1
ME493579
-
-
9.257999
-
Tetranor-PGF1alpha
Tetranor-PGF1alpha
ME492039
-
-
8.323
-
Tetranor-PGF1alpha +3.062
Tetranor-PGF1alpha
ME501925
-
-
3.062
-
Tetranor-PGF1alpha +8.2685
Tetranor-PGF1alpha
ME496485
-
-
8.2685
-
Tetranor-PGF1alpha +8.338
Tetranor-PGF1alpha
ME501926
-
-
8.338
-
Tetrasul
-
ME501927
-
C19032
0.831
-
Tfa-VAL-TYR-VAL-OH
-
ME501928
-
-
1.066
-
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]
TG 16:0/16:1(9Z)/20:2(11Z,14Z)*
ME494568
-
-
13.738335
-
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6] +13.45
TG 16:0/16:1(9Z)/20:2(11Z,14Z)*
ME501929
-
-
13.45
-
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6] +14.11
TG 16:0/16:1(9Z)/20:2(11Z,14Z)*
ME501930
-
-
14.11
-
TG(16:1(9Z)/17:0/17:1(9Z))[iso6]
TG 16:1(9Z)/17:0/17:1(9Z)*
ME501931
-
-
13.743
-
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]
TG 16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)*
ME496486
-
-
13.4405
-
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] +13.73399...
TG 16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)*
ME496487
-
-
13.733999
-
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] +14.105
TG 16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)*
ME501932
-
-
14.105
-
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] +14.105 :...
-
ME501933
-
-
14.105
-
TG(17:0/17:1(10Z)/17:0) (d5)
TG 17:0/17:1(10Z)/17:0*
ME501934
-
-
14.116
-
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[...
TG 17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*
ME492040
-
-
13.431857
-
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[...
TG 17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*
ME492041
-
-
13.721715
-
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]
TG 18:1(9Z)/14:0/18:2(9Z,12Z)*
ME501935
-
-
13.445
-
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] +13.736
TG 18:1(9Z)/14:0/18:2(9Z,12Z)*
ME501936
-
-
13.736
-
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] +14.107
TG 18:1(9Z)/14:0/18:2(9Z,12Z)*
ME501937
-
-
14.107
-
TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[i...
TG 20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z)*
ME501938
-
-
13.431
-
TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[i...
TG 20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z)*
ME492406
-
-
13.721333
-
TG(8:0/8:0/8:0)
TG 8:0/8:0/8:0
ME496488
-
C13044
14.915
-
TGX-221
-
ME496489
-
-
6.935
-
THA
THA
ME496490
-
-
7.648
-
THA +10.415
THA
ME496491
-
-
10.415
-
THA +10.422501
THA
ME496492
-
-
10.422501
-
THA +10.604668
THA
ME492407
-
-
10.604668
-
THA +7.877
THA
ME496493
-
-
7.877
-
THA +8.268
THA
ME501939
-
-
8.268
-
THA +8.351199
THA
ME492912
-
-
8.351199
-
THA +9.251
THA
ME501940
-
-
9.251
-
THA +9.34
THA
ME501941
-
-
9.34
-
THA +9.6845455
THA
ME491205
-
-
9.6845455
-
THA +9.723
THA
ME501942
-
-
9.723
-
THA +9.728
THA
ME491761
-
-
9.728
-
Thalicsessine
Thalicsessine
ME501943
-
C08714
6.751
-
Thalicsessine -10.797
Thalicsessine
ME496494
-
C08714
10.797
-
Thalicsessine -11.1851425
Thalicsessine
ME492042
-
C08714
11.1851425
-
Thalmine
-
ME501944
-
C09659
6.74
-
Thalsimine
-
ME492913
-
C09661
9.2096
-
Thalsimine +6.9429994
-
ME494569
-
C09661
6.9429994
-
Thalsimine -9.013
-
ME501945
-
C09661
9.013
-
Thalsimine -9.071
-
ME501946
-
C09661
9.071
-
Theaflavanin
-
ME501947
-
-
5.071
-
Theaflavanin -5.2785
-
ME496495
-
-
5.2785
-
Theaflavin-3-gallate
-
ME491762
-
-
6.590125
-
Theophylline
Theophylline
ME496496
-
C07130
1.4005
-
Theophylline +1.003
Theophylline
ME501948
-
C07130
1.003
-
Theophylline +3.114
Theophylline
ME501949
-
C07130
3.114
-
Thiacetazone
-
ME492914
-
-
0.8974
-
Thiacetazone -0.868
-
ME501950
-
-
0.868
-
Thiacetazone +0.876
-
ME494570
-
-
0.876
-
Thiacetazone +3.3666668
-
ME494571
-
-
3.3666668
-
Thiamethoxam
-
ME501951
-
C18513
5.495
-
Thiamine
Thiamine
ME492408
-
C00378
1.1078333
-
Thiamine disulfide
-
ME501952
-
C18377
1.4
-
Thiamine disulfide -1.614
-
ME501953
-
C18377
1.614
-
Thiamylal
Thiamylal
ME501954
-
C07846
3.985
-
Thiarubrine B
-
ME501955
-
C08462
4.673
-
Thifluzamide
-
ME501956
-
C18505
0.882
-
Thimerosal
-
ME493580
-
-
5.605
-
Thiobenzamide
-
ME501957
-
C16281
5.18
-
Thiobenzamide S,S-dioxide
-
ME496497
-
C16285
1.6735001
-
Thiobenzamide S,S-dioxide -1.7027142
-
ME492043
-
C16285
1.7027142
-
Thiocarlide
-
ME501958
-
-
6.98
-
Thiodiacetic acid
Thiodiacetic acid
ME494572
-
C14872
1.1056668
-
Thiodiacetic acid -0.99825
Thiodiacetic acid
ME493581
-
C14872
0.99825
-
Thiodiacetic acid -1.3465713
Thiodiacetic acid
ME492044
-
C14872
1.3465713
-
Thiodiacetic acid sulfoxide
-
ME501959
-
C14873
0.958
-
Thiodiacetic acid sulfoxide -1.011
-
ME494573
-
C14873
1.011
-
Thiodiacetic acid sulfoxide -1.037
-
ME501960
-
C14873
1.037
-
Thiophanate
-
ME501961
-
C18918
3.593
-
Thioquinox
Thioquinox
ME501962
-
C18946
3.942
-
Thiothixene
-
ME494574
-
D00374
4.261333
-
Thr Ala Arg
Thr-Ala-Arg
ME501963
-
-
5.56
-
Thr Ala Lys
Thr-Ala-Lys
ME501964
-
-
1.213
-
Thr Ala Thr
Thr-Ala-Thr
ME491367
-
-
1.6245
-
Thr Ala Thr +3.892
Thr-Ala-Thr
ME501965
-
-
3.892
-
Thr Asn Asn
Thr-Asn-Asn
ME501966
-
-
3.105
-
Thr Asp Ile
Thr-Asp-Ile
ME501967
-
-
3.451
-
Thr Asp Pro
Thr-Asp-Pro
ME501968
-
-
1.627
-
Thr Cys Leu
Thr-Cys-Leu
ME496498
-
-
1.618
-
Threonic acid
Threonic acid
ME501993
-
-
2.73
-
Threonic acid +1.451
Threonic acid
ME496501
-
-
1.451
-
Thr Gln Ala
Thr-Gln-Ala
ME501969
-
-
1.398
-
Thr Gln Val
Thr-Gln-Val
ME501970
-
-
0.945
-
Thr Gly Ser
Thr-Gly-Ser
ME501971
-
-
3.239
-
Thr Ile Val
Thr-Ile-Val
ME501972
-
-
3.855
-
Thr Leu
Thr-Leu
ME492045
-
-
3.6604288
-
Thr Leu +0.946
Thr-Leu
ME501973
-
-
0.946
-
Thr Leu +1.3696666
Thr-Leu
ME494575
-
-
1.3696666
-
Thr Leu -2.252
Thr-Leu
ME501976
-
-
2.252
-
Thr Leu +3.004
Thr-Leu
ME501974
-
-
3.004
-
Thr Leu -3.6439998
Thr-Leu
ME494576
-
-
3.6439998
-
Thr Leu -3.79
Thr-Leu
ME501977
-
-
3.79
-
Thr Leu +3.8046248
Thr-Leu
ME491763
-
-
3.8046248
-
Thr Leu +8.685
Thr-Leu
ME501975
-
-
8.685
-
Thr Lys
Thr-Lys
ME501978
-
-
1.396
-
Thr Lys Lys
Thr-Lys-Lys
ME501979
-
-
6.403
-
Thr Met
Thr-Met
ME496499
-
-
4.1835003
-
Thromboxanoic acid skeleton
-
ME493582
-
-
13.592751
-
Thr-Phe4Cl-OH
-
ME501994
-
-
1.629
-
Thr Phe Phe
Thr-Phe-Phe
ME496500
-
-
2.885
-
Thr Phe Phe +5.118
Thr-Phe-Phe
ME501980
-
-
5.118
-
Thr Phe Phe +5.163
Thr-Phe-Phe
ME501981
-
-
5.163
-
Thr Phe Phe +5.3
Thr-Phe-Phe
ME501982
-
-
5.3
-
Thr Phe Phe +5.417
Thr-Phe-Phe
ME501983
-
-
5.417
-
Thr Pro Asp
Thr-Pro-Asp
ME501984
-
-
3.538
-
Thr Pro Pro
Thr-Pro-Pro
ME501985
-
-
3.04
-
Thr Pro Pro +3.607
Thr-Pro-Pro
ME501986
-
-
3.607
-
Thr Ser Thr
Thr-Ser-Thr
ME494577
-
-
3.1466665
-
Thr Thr Gly
Thr-Thr-Gly
ME501987
-
-
1.395
-
Thr Thr Lys
Thr-Thr-Lys
ME501988
-
-
7.217
-
Thr Thr Lys +4.384
Thr-Thr-Lys
ME501989
-
-
4.384
-
Thr Tyr Ala
Thr-Tyr-Ala
ME501990
-
-
3.151
-
Thr Tyr Ala +1.397
Thr-Tyr-Ala
ME501991
-
-
1.397
-
Thr Tyr Phe
Thr-Tyr-Phe
ME501992
-
-
1.627
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME490601
-
C11074
1.3987501
-
THTC +1.5376999
Tetrahydrothiophene-2-carboxylic acid
ME491368
-
C11074
1.5376999
-
Thyrotropin releasing hormone
Thyrotropin releasing hormone
ME490602
-
C03958
9.454376
-
Thyrotropin releasing hormone -10.077534
Thyrotropin releasing hormone
ME490749
-
C03958
10.077534
-
Thysanone
-
ME496502
-
-
0.94949996
-
Tiapride
Tiapride
ME496503
-
-
0.95949996
-
Tigloidine
-
ME491764
-
C10868
3.5612497
-
Tigloidine +4.801
-
ME496504
-
C10868
4.801
-
Tiletamine
-
ME501995
-
-
1.62
-
Tiocarbazil
-
ME501996
-
C18898
3.305
-
Tirofiban
Tirofiban
ME501997
-
C07965
5.036
-
Tocoretinate
Tocoretinate
ME494578
-
C12967
13.122334
-
Todralazine
-
ME501998
-
-
1.405
-
Todralazine +1.004
-
ME501999
-
-
1.004
-
Todralazine +1.18
-
ME502000
-
-
1.18
-
Todralazine +1.6253333
-
ME494579
-
-
1.6253333
-
Todralazine +1.695
-
ME502001
-
-
1.695
-
Todralazine +3.33
-
ME502002
-
-
3.33
-
Tolcapone
Tolcapone
ME502003
-
C07949
3.674
-
Tolcapone -3.95875
Tolcapone
ME493583
-
C07949
3.95875
-
Tolnaftate
Tolnaftate
ME502004
-
-
4.075
-
Tolnaftate +5.73
Tolnaftate
ME502005
-
-
5.73
-
Toluene
Toluene
ME502006
-
C01455
1.397
-
Topiramate
Topiramate
ME502007
-
C07502
7.236
-
Totarol-19-Carboxylic Acid
-
ME496505
-
-
4.3409996
-
Totarol Acetate
-
ME493584
-
-
14.1045
-
TPEN
-
ME494580
-
-
5.1913333
-
TPEN +7.131
-
ME502008
-
-
7.131
-
TPEN +7.268
-
ME502009
-
-
7.268
-
Trachelogenin
-
ME502010
-
C10891
3.45
-
TRAM-34
-
ME502011
-
C13784
3.919
-
Trandolapril
-
ME493585
-
C07154
10.6125
-
Trandolapril +7.629
-
ME502012
-
C07154
7.629
-
Trandolapril +7.686
-
ME502013
-
C07154
7.686
-
Trandolaprilat
-
ME502020
-
-
7.203
-
Trandolapril glucuronide
-
ME502014
-
-
6.969
-
Trandolapril lactam (RU 46178)
-
ME502015
-
-
7.564
-
Trandolapril lactam (RU 46178) +5.841
-
ME502016
-
-
5.841
-
Trandolapril lactam (RU 46178) +6.757
-
ME502017
-
-
6.757
-
Trandolapril lactam (RU 46178) -7.268
-
ME502019
-
-
7.268
-
Trandolapril lactam (RU 46178) +7.277
-
ME502018
-
-
7.277
-
Trandolapril lactam (RU 46178) +8.0685005
-
ME496506
-
-
8.0685005
-
trans-1,2-Diphenylcyclobutane
-
ME490966
-
C15449
4.7742314
-
trans-1,2-Diphenylcyclobutane +0.955
-
ME502021
-
C15449
0.955
-
trans-1,2-Diphenylcyclobutane +4.839
-
ME496507
-
C15449
4.839
-
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane
-
ME502022
-
-
3.584
-
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane ...
-
ME502023
-
-
3.613
-
Trans-2, 3, 4-Trimethoxycinnamate
trans-2,3,4-Trimethoxycinnamate
ME502024
-
-
3.567
-
Trans-2, 3, 4-Trimethoxycinnamate -5.35
trans-2,3,4-Trimethoxycinnamate
ME502026
-
-
5.35
-
Trans-2, 3, 4-Trimethoxycinnamate +5.858
trans-2,3,4-Trimethoxycinnamate
ME502025
-
-
5.858
-
trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro...
-
ME502027
-
C19232
3.665
-
trans-2-Enoyl-OPC4-CoA
-
ME493586
-
C16336
0.89075
-
trans-2-Enoyl-OPC6-CoA
trans-2-Enoyl-OPC6-CoA
ME493587
-
C16332
0.88975
-
trans-2-Phenylcyclopropanecarboxylic acid
-
ME491766
-
C15419
8.25575
-
trans-2-Phenylcyclopropanecarboxylic acid +11.6663...
-
ME490603
-
C15419
11.666374
-
trans-2-Phenylcyclopropanecarboxylic acid +11.7266...
-
ME490604
-
C15419
11.726624
-
trans-3-Aminocyclopentane-1-carboxylic acid
-
ME490605
-
C13696
0.86881256
-
trans-3-Aminocyclopentane-1-carboxylic acid +0.924...
-
ME490967
-
C13696
0.92484623
-
trans-3-Aminocyclopentane-1-carboxylic acid +1.014
-
ME502028
-
C13696
1.014
-
trans-3-Aminocyclopentane-1-carboxylic acid +1.021
-
ME502029
-
C13696
1.021
-
trans-3-Aminocyclopentane-1-carboxylic acid +1.085...
-
ME490606
-
C13696
1.085125
-
trans-3-Aminocyclopentane-1-carboxylic acid +1.299
-
ME496508
-
C13696
1.299
-
trans-3-Aminocyclopentane-1-carboxylic acid +1.361...
-
ME490861
-
C13696
1.3614998
-
trans-4,5-Dihydroxy-4,5-dihydropyrene
-
ME502030
-
C18255
1.403
-
trans-4-Carboxymethylenebut-2-en-4-olide
-
ME502031
-
C12838
1.338
-
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[...
-
ME502032
-
C19607
4.989
-
(+)-trans-allethrin
-
ME492427
-
-
4.4934006
-
(+)-trans-allethrin +4.78825
-
ME492941
-
-
4.78825
-
trans,cis-Lauro-2,6-dienoyl-CoA
trans,cis-Lauro-2,6-dienoyl-CoA
ME494581
-
C05279
0.89033335
-
trans,trans-1,4-Diphenyl-1,3-butadiene
-
ME491532
-
C14761
4.699111
-
trans,trans-Farnesyl phosphate
-
ME491765
-
C20121
5.57325
-
Tranylcypromine glucuronide
-
ME502033
-
-
1.631
-
Tranylcypromine glucuronide +4.397
-
ME502034
-
-
4.397
-
?,?-Trehalose
Trehalose
ME491089
-
C01083
1.0438184
-
?,?-Trehalose +0.997
Trehalose
ME494671
-
C01083
0.997
-
?,?-Trehalose -1.0086666
Trehalose
ME492062
-
C01083
1.0086666
-
?,?-Trehalose -1.065
Trehalose
ME496679
-
C01083
1.065
-
Tremetone
Tremetone
ME494582
-
C08992
11.701
-
Tremetone +0.913
Tremetone
ME502035
-
C08992
0.913
-
Triacanthine
Triacanthine
ME496509
-
C08435
5.26
-
Triacanthine +1.349
Triacanthine
ME502036
-
C08435
1.349
-
Triacanthine +3.786
Triacanthine
ME502037
-
C08435
3.786
-
Triacetin
Triacetin
ME492409
-
-
1.0516666
-
Triacetin +0.935
Triacetin
ME502038
-
-
0.935
-
Triacetin +0.93899995
Triacetin
ME494583
-
-
0.93899995
-
Triacetin +1.02
Triacetin
ME493588
-
-
1.02
-
Triacetin -1.3842
Triacetin
ME492917
-
-
1.3842
-
Triacetin -1.614
Triacetin
ME502040
-
-
1.614
-
Triacetin +3.185
Triacetin
ME502039
-
-
3.185
-
Triacetin +3.396
Triacetin
ME492915
-
-
3.396
-
Triacetin +3.8213997
Triacetin
ME492916
-
-
3.8213997
-
Triacetin +3.9038575
Triacetin
ME492046
-
-
3.9038575
-
Triamcinolone Diacetate
-
ME502041
-
C08184
8.994
-
Triamcinolone Diacetate -9.232333
-
ME494584
-
C08184
9.232333
-
Triamiphos
-
ME494585
-
C18927
3.2093334
-
Triangularine
-
ME502042
-
C10410
1.403
-
Triangularine +5.65
-
ME502043
-
C10410
5.65
-
Triazamate
Triazamate
ME496510
-
C18770
1.043
-
Triazamate +1.354
Triazamate
ME502044
-
C18770
1.354
-
Triazamate +1.547
Triazamate
ME502045
-
C18770
1.547
-
Triazamate +3.386
Triazamate
ME502046
-
C18770
3.386
-
Triazamate +3.939
Triazamate
ME502047
-
C18770
3.939
-
Tributyl phosphate
Tributyl phosphate
ME490607
-
C14439
11.34575
-
Tributyl phosphate +11.419937
Tributyl phosphate
ME490608
-
C14439
11.419937
-
Tributyrin
TG 4:0/4:0/4:0
ME493589
-
C13870
5.6124997
-
Tributyrin +5.3684998
TG 4:0/4:0/4:0
ME496511
-
C13870
5.3684998
-
Tributyrin -5.5916667
TG 4:0/4:0/4:0
ME492410
-
C13870
5.5916667
-
Tricaine
-
ME491206
-
C18090
1.388
-
Tricaine +3.428
-
ME502048
-
C18090
3.428
-
Trichlormethine
-
ME502049
-
-
5.136
-
Trichostatin A
-
ME493590
-
-
8.19225
-
Trichostatin A +5.853
-
ME502050
-
-
5.853
-
Trichostatin A -8.176
-
ME502051
-
-
8.176
-
Trichostatin A -8.257
-
ME502052
-
-
8.257
-
Trichostatin A +8.271832
-
ME492411
-
-
8.271832
-
Trichostatin A +8.564501
-
ME491767
-
-
8.564501
-
Trichostatin A +8.6
-
ME494586
-
-
8.6
-
Trichostatin A +9.185333
-
ME494587
-
-
9.185333
-
Trichostatin A +9.2456665
-
ME494588
-
-
9.2456665
-
Trichothecin
-
ME502053
-
C09742
8.141
-
Triclosan
Triclosan
ME496512
-
C12059
1.812
-
Tricrocin
-
ME496513
-
C17513
6.6330004
-
Tricrocin +6.896
-
ME496514
-
C17513
6.896
-
Tricyclodehydroisohumulone
-
ME502054
-
C10723
7.377
-
Tricyclodehydroisohumulone -8.189
-
ME502055
-
C10723
8.189
-
Tridesacetoxykhivorin
-
ME502056
-
-
6.676
-
Tridesacetoxykhivorin -6.868
-
ME502058
-
-
6.868
-
Tridesacetoxykhivorin +8.114
-
ME502057
-
-
8.114
-
Trietazine
-
ME492412
-
C18814
4.445833
-
Trietazine +1.381
-
ME502059
-
C18814
1.381
-
Triethylene glycol diglycidyl ether
-
ME491078
-
C19537
5.9083323
-
Triethylene glycol diglycidyl ether +5.8995
-
ME496515
-
C19537
5.8995
-
Trigonelline
Trigonelline
ME491207
-
C01004
1.0162727
-
Trihomomethionine
Trihomomethionine
ME490609
-
C17221
6.548124
-
Trihomomethionine +0.981
Trihomomethionine
ME496516
-
C17221
0.981
-
Trillenogenin
-
ME502060
-
-
6.847
-
Trillenogenin +6.423
-
ME502061
-
-
6.423
-
Trillenogenin +7.356
-
ME502062
-
-
7.356
-
Trillenogenin -7.368
-
ME502063
-
-
7.368
-
Trimedlure
-
ME502064
-
-
8.353
-
Trimedlure +3.988
-
ME502065
-
-
3.988
-
Trimeprazine
Trimeprazine
ME494589
-
C07172
1.399
-
Trimeprazine sulfoxide
-
ME491533
-
-
0.9372222
-
Trimeprazine sulfoxide +1.62375
-
ME493591
-
-
1.62375
-
Trimethobenzamide
-
ME496517
-
C07178
3.4755
-
Trimethobenzamide -3.301
-
ME502066
-
C07178
3.301
-
Trimethylaminoacetone
Trimethylaminoacetone
ME502067
-
-
1.201
-
Trimethylenetetraurea
-
ME493592
-
C06386
1.04125
-
Trimethylenetetraurea -5.631
-
ME496518
-
C06386
5.631
-
Trimetrexate
-
ME502068
-
C11154
3.887
-
Trinexapac-ethyl
-
ME490750
-
C18541
8.671267
-
Trinexapac-ethyl +3.804
-
ME502069
-
C18541
3.804
-
Triphenyl phosphate
Triphenyl phosphate
ME490610
-
C14235
11.248625
-
Triphenylphosphine oxide
-
ME490611
-
-
8.893125
-
Triphyllin A
-
ME493593
-
-
3.26125
-
Triphyllin A -3.473
-
ME502070
-
-
3.473
-
Triphyllin A -3.523
-
ME502071
-
-
3.523
-
Triprolidine
Triprolidine
ME502072
-
-
3.254
-
Tris(1-aziridinyl)phosphine oxide
-
ME502073
-
C19543
1.39
-
Tris(2-methyl-1-aziridinyl)phosphine oxide
-
ME492413
-
C19556
1.3946667
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +1.6273...
-
ME492414
-
C19556
1.6273333
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +2.994
-
ME502074
-
C19556
2.994
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +3.2
-
ME502075
-
C19556
3.2
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +3.638
-
ME502076
-
C19556
3.638
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +4.5080...
-
ME496519
-
C19556
4.5080004
-
Tris(butoxyethyl)phosphate
-
ME496520
-
C14446
9.709
-
Tris(butoxyethyl)phosphate -10.605223
-
ME491534
-
C14446
10.605223
-
Tris(butoxyethyl)phosphate -9.372
-
ME502077
-
C14446
9.372
-
Triterpenoid
-
ME494590
-
-
7.7439995
-
Triterpenoid -7.201
-
ME496521
-
-
7.201
-
Tromethamine
2-Amino-2-methylol-propane-1,3-diol
ME494591
-
C07182
0.92333335
-
Tromethamine +0.92
2-Amino-2-methylol-propane-1,3-diol
ME502078
-
C07182
0.92
-
Tropicamide
Tropicamide
ME490612
-
-
9.45325
-
Tropine
Pseudotropine
ME502079
-
C00729
5.205
-
Tropine +3.078
Pseudotropine
ME502080
-
C00729
3.078
-
Tropinone
Tropinone
ME502081
-
C00783
3.413
-
Tropolone
-
ME492918
-
C15474
5.1866
-
Tropolone -4.361
-
ME496522
-
C15474
4.361
-
Trp Arg Asn
Trp-Arg-Asn
ME502082
-
-
9.886
-
Trp Gln
Trp-Gln
ME502083
-
-
1.624
-
Trp Gln Ala
Trp-Gln-Ala
ME494592
-
-
3.8493335
-
Trp Gln Gly
Trp-Gln-Gly
ME502084
-
-
3.646
-
Trp Glu
Trp-Glu
ME502085
-
-
4.584
-
Trp Gly Ser
Trp-Gly-Ser
ME502086
-
-
3.384
-
Trp His
Trp-His
ME492415
-
-
9.141833
-
Trp His +1.6265
Trp-His
ME496523
-
-
1.6265
-
Trp His His
Trp-His-His
ME502087
-
-
3.143
-
Trp-His-OH
-
ME502094
-
-
3.838
-
Trp-HoPhe-OH
-
ME502095
-
-
5.647
-
Trp Lys Arg
Trp-Lys-Arg
ME496524
-
-
4.9189997
-
Trp Met Cys
Trp-Met-Cys
ME502088
-
-
1.149
-
Trp Met Trp
Trp-Met-Trp
ME496525
-
-
1.6145
-
Trp Met Trp -3.4133332
Trp-Met-Trp
ME491079
-
-
3.4133332
-
Trp-P-1
-
ME494595
-
C19306
7.7973332
-
Trp-P-1 +3.835
-
ME502096
-
C19306
3.835
-
Trp Pro Lys
Trp-Pro-Lys
ME502089
-
-
9.739
-
Trp Ser Ser
Trp-Ser-Ser
ME494593
-
-
1.3556668
-
Trp Thr
Trp-Thr
ME502090
-
-
3.473
-
Trp Tyr Met
Trp-Tyr-Met
ME502091
-
-
1.398
-
Trp Tyr Phe
Trp-Tyr-Phe
ME496526
-
-
10.5865
-
Trp Tyr Trp
Trp-Tyr-Trp
ME502092
-
-
6.795
-
Trp Tyr Trp +6.893
Trp-Tyr-Trp
ME502093
-
-
6.893
-
Trp Val Val
Trp-Val-Val
ME494594
-
-
9.877666
-
Tsukushinamine A
-
ME502097
-
C10791
1.041
-
Tuduranine
-
ME502098
-
C17077
3.495
-
Tuliposide A
Tuliposide A
ME491208
-
C08561
1.3415455
-
Tuliposide A +1.148
Tuliposide A
ME502099
-
C08561
1.148
-
Tuliposide A +1.2036667
Tuliposide A
ME494596
-
C08561
1.2036667
-
Tuliposide A -1.279
Tuliposide A
ME502101
-
C08561
1.279
-
Tuliposide A +1.3357499
Tuliposide A
ME493594
-
C08561
1.3357499
-
Tuliposide A +1.396
Tuliposide A
ME502100
-
C08561
1.396
-
Tuliposide A +1.6359999
Tuliposide A
ME496527
-
C08561
1.6359999
-
Tuliposide B
Tuliposide B
ME502102
-
C08570
3.174
-
Tuliposide B -1.068
Tuliposide B
ME502104
-
C08570
1.068
-
Tuliposide B +1.0913333
Tuliposide B
ME494597
-
C08570
1.0913333
-
Tuliposide B +1.1278332
Tuliposide B
ME492416
-
C08570
1.1278332
-
Tuliposide B +1.297
Tuliposide B
ME502103
-
C08570
1.297
-
Tuliposide B -1.379
Tuliposide B
ME502105
-
C08570
1.379
-
Tulobuterol
-
ME496528
-
D02151
5.9045
-
Tulobuterol +3.2038002
-
ME492919
-
D02151
3.2038002
-
Tulobuterol +5.888
-
ME502106
-
D02151
5.888
-
Tumonoic Acid D
-
ME502107
-
-
5.32
-
Tussilagine
Tussilagine
ME502108
-
C10411
5.871
-
Tussilagine +1.4
Tussilagine
ME496529
-
C10411
1.4
-
Tussilagine +3.048
Tussilagine
ME496530
-
C10411
3.048
-
Tussilagine +3.115
Tussilagine
ME493595
-
C10411
3.115
-
Tussilagine +3.4096668
Tussilagine
ME494598
-
C10411
3.4096668
-
Tussilagine +5.194
Tussilagine
ME502109
-
C10411
5.194
-
Tutin
Tutin
ME502110
-
C09570
4.275
-
Tutin +6.025
Tutin
ME502111
-
C09570
6.025
-
Tutin -6.036
Tutin
ME502112
-
C09570
6.036
-
Tutin -6.349
Tutin
ME496531
-
C09570
6.349
-
TWS119
-
ME502113
-
-
7.565
-
TWS119 +7.664
-
ME502114
-
-
7.664
-
Tylosin
Tylosin
ME502115
-
C01457
8.338
-
Tyramine-O-sulfate
Tyramine-O-sulfate
ME491768
-
-
1.75325
-
Tyramine-O-sulfate +1.7639999
Tyramine-O-sulfate
ME496542
-
-
1.7639999
-
Tyr Asn Ser
Tyr-Asn-Ser
ME496532
-
-
1.3959999
-
Tyr Asn Ser +1.61
Tyr-Asn-Ser
ME502116
-
-
1.61
-
Tyr Asn Ser +3.108
Tyr-Asn-Ser
ME496533
-
-
3.108
-
Tyr Asn Ser +3.356
Tyr-Asn-Ser
ME502117
-
-
3.356
-
Tyr Asn Ser +3.4629998
Tyr-Asn-Ser
ME496534
-
-
3.4629998
-
Tyr Asn Thr
Tyr-Asn-Thr
ME496535
-
-
1.618
-
Tyr Asp Gln
Tyr-Asp-Gln
ME492920
-
-
1.4082
-
Tyr Glu Asp
Tyr-Glu-Asp
ME502118
-
-
1.644
-
Tyr Gly
Tyr-Gly
ME502119
-
-
4.739
-
Tyr Gly Pro
Tyr-Gly-Pro
ME494599
-
-
3.9763334
-
Tyr Gly Pro +4.188
Tyr-Gly-Pro
ME502120
-
-
4.188
-
Tyr His Asp
Tyr-His-Asp
ME496536
-
-
3.0749998
-
Tyr-HoPhe-OH
-
ME502146
-
-
1.391
-
Tyr Leu
Tyr-Leu
ME490968
-
-
3.8525388
-
Tyr Leu +1.392
Tyr-Leu
ME502121
-
-
1.392
-
Tyr Leu +1.629
Tyr-Leu
ME502122
-
-
1.629
-
Tyr Leu +3.265
Tyr-Leu
ME502123
-
-
3.265
-
Tyr Leu +3.891
Tyr-Leu
ME496537
-
-
3.891
-
Tyr Leu +4.0914
Tyr-Leu
ME492921
-
-
4.0914
-
Tyr Leu +4.385
Tyr-Leu
ME491535
-
-
4.385
-
Tyr Leu +4.5649996
Tyr-Leu
ME496538
-
-
4.5649996
-
Tyr Leu Ala
Tyr-Leu-Ala
ME502124
-
-
1.306
-
Tyr Leu Val
Tyr-Leu-Val
ME496539
-
-
4.7489996
-
Tyr Leu Val +3.189
Tyr-Leu-Val
ME502125
-
-
3.189
-
Tyr-Lys-OH
-
ME496543
-
-
3.729
-
TyrMe-Ile-OH
-
ME490969
-
-
11.428385
-
Tyr Met Glu
Tyr-Met-Glu
ME502126
-
-
3.746
-
Tyr Met Glu +1.085
Tyr-Met-Glu
ME502127
-
-
1.085
-
Tyr-Met-OH
-
ME502147
-
-
7.363
-
Tyr Phe
Tyr-Phe
ME502128
-
-
3.108
-
Tyr Phe Gln
Tyr-Phe-Gln
ME502129
-
-
5.577
-
Tyr Phe Gln -9.887
Tyr-Phe-Gln
ME502130
-
-
9.887
-
Tyr Pro Glu
Tyr-Pro-Glu
ME494600
-
-
3.4239998
-
Tyr Pro Gly
Tyr-Pro-Gly
ME502131
-
-
3.648
-
Tyr Pro Ile
Tyr-Pro-Ile
ME502132
-
-
3.495
-
Tyr Thr
Tyr-Thr
ME496540
-
-
1.6035
-
Tyr Thr +1.633
Tyr-Thr
ME502133
-
-
1.633
-
Tyr Thr +3.045
Tyr-Thr
ME496541
-
-
3.045
-
Tyr Thr Lys
Tyr-Thr-Lys
ME491536
-
-
4.709222
-
Tyr Thr Thr
Tyr-Thr-Thr
ME502134
-
-
6.685
-
Tyr Thr Thr +3.703
Tyr-Thr-Thr
ME502135
-
-
3.703
-
Tyr Tyr
Tyr-Tyr
ME493596
-
-
4.11375
-
Tyr Tyr Ile
Tyr-Tyr-Ile
ME502136
-
-
6.579
-
Tyr Tyr Ile -6.64
Tyr-Tyr-Ile
ME502137
-
-
6.64
-
Tyr Tyr Lys
Tyr-Tyr-Lys
ME491537
-
-
10.609889
-
Tyr Tyr Lys +5.639
Tyr-Tyr-Lys
ME502138
-
-
5.639
-
Tyr Tyr Pro
Tyr-Tyr-Pro
ME492922
-
-
4.6489997
-
Tyr Tyr Pro +4.918
Tyr-Tyr-Pro
ME502139
-
-
4.918
-
Tyr Tyr Pro +5.395
Tyr-Tyr-Pro
ME502140
-
-
5.395
-
Tyr Tyr Pro +6.115
Tyr-Tyr-Pro
ME502141
-
-
6.115
-
Tyr Tyr Trp
Tyr-Tyr-Trp
ME502142
-
-
7.86
-
Tyr Val
Tyr-Val
ME492417
-
-
3.4185
-
Tyr Val +2.145
Tyr-Val
ME502143
-
-
2.145
-
Tyr Val +2.263
Tyr-Val
ME502144
-
-
2.263
-
Tyr Val +3.578
Tyr-Val
ME502145
-
-
3.578
-
Tyr Val +3.695
Tyr-Val
ME494601
-
-
3.695
-
U-18666A
-
ME491769
-
-
12.293875
-
U-75302
-
ME493597
-
-
8.579
-
Ubiquinone
-
ME490613
-
C00399
10.371751
-
Ubiquinone (Q2)
-
ME496544
-
C00399
3.7705002
-
UCL 1608
-
ME502148
-
C13788
3.655
-
UDP-3-ketoglucose
-
ME494602
-
C12210
6.692
-
UDP-3-ketoglucose +6.6105
-
ME496545
-
C12210
6.6105
-
UDP-4-keto-rhamnose
-
ME492923
-
C17328
5.6033998
-
UDP-L-Ara4O
-
ME491209
-
C16155
6.6097274
-
UH-301
-
ME502149
-
C11698
7.198
-
UK-47265
-
ME502150
-
C11701
4.421
-
UK-47265 -4.557
-
ME502151
-
C11701
4.557
-
UK-47265 -4.806
-
ME502152
-
C11701
4.806
-
Uncarine D
-
ME502153
-
C17596
5.348
-
undecanal
-
ME502154
-
-
9.75
-
Undecanedioic acid
Undecanedioic acid
ME496546
-
-
5.6275
-
Undecanedioic acid +3.026
Undecanedioic acid
ME494603
-
-
3.026
-
Undecanedioic acid -6.945
Undecanedioic acid
ME502155
-
-
6.945
-
Undecanedioic acid -7.585
Undecanedioic acid
ME491538
-
-
7.585
-
Undecylprodigiosin
Undecylprodigiosin
ME492924
-
C12023
5.7522
-
Undecylprodigiosin +6.7068744
Undecylprodigiosin
ME491770
-
C12023
6.7068744
-
Uniconazole P
-
ME502156
-
C18494
3.941
-
Uplandicine
Uplandicine
ME490614
-
C10412
9.453563
-
Uplandicine +3.319
Uplandicine
ME496547
-
C10412
3.319
-
Uplandicine +6.028
Uplandicine
ME496548
-
C10412
6.028
-
Uplandicine +6.111
Uplandicine
ME502157
-
C10412
6.111
-
URB602
-
ME493598
-
-
6.9090004
-
URB602 +6.918
-
ME502158
-
-
6.918
-
URB602 +6.969571
-
ME492047
-
-
6.969571
-
Urdamycin A
-
ME502159
-
C12413
0.891
-
Uric acid
Uric acid
ME492048
-
C00366
1.3782856
-
Urothion
-
ME494604
-
-
4.0143332
-
Urothion -4.002
-
ME494605
-
-
4.002
-
Ursiniolide A
-
ME502160
-
C09572
4.997
-
Ursiniolide A +5.2
-
ME502161
-
C09572
5.2
-
Ursodeoxycholic acid 3-sulfate
Ursodeoxycholic acid 3-sulfate
ME493599
-
-
7.87975
-
Ursodeoxycholic acid 3-sulfate +5.1470838
Ursodeoxycholic acid 3-sulfate
ME491080
-
-
5.1470838
-
Ursodeoxycholic acid 3-sulfate +7.873
Ursodeoxycholic acid 3-sulfate
ME502162
-
-
7.873
-
Ursodeoxycholic acid 3-sulfate +8.216
Ursodeoxycholic acid 3-sulfate
ME502163
-
-
8.216
-
Usaramine
-
ME502164
-
C10413
4.183
-
Val Ala Ala
Val-Ala-Ala
ME502165
-
-
3.893
-
Val Ala Ile
Val-Ala-Ile
ME494606
-
-
3.0673332
-
Val Arg
Val-Arg
ME494607
-
-
1.3936666
-
Val Arg +1.62
Val-Arg
ME502166
-
-
1.62
-
Val Arg Pro
Val-Arg-Pro
ME502167
-
-
1.623
-
Val Arg Pro +4.111
Val-Arg-Pro
ME502168
-
-
4.111
-
Val Arg Tyr
Val-Arg-Tyr
ME502169
-
-
12.18
-
Val Asn Gly
Val-Asn-Gly
ME492925
-
-
0.9924
-
Val Asn Gly +1.126
Val-Asn-Gly
ME502170
-
-
1.126
-
Val Asn Gly +1.1413333
Val-Asn-Gly
ME494608
-
-
1.1413333
-
Val Asn Leu
Val-Asn-Leu
ME502171
-
-
3.407
-
Val Asn Leu +3.98
Val-Asn-Leu
ME496549
-
-
3.98
-
Val Asn Leu +4.71
Val-Asn-Leu
ME502172
-
-
4.71
-
Val Asp Arg
Val-Asp-Arg
ME502173
-
-
7.447
-
Val Asp Gly
Val-Asp-Gly
ME494609
-
-
1.3406668
-
Val Asp His
Val-Asp-His
ME502174
-
-
6.684
-
Val Asp Trp
Val-Asp-Trp
ME502175
-
-
5.434
-
Valerianine
-
ME496559
-
C09991
1.6305
-
Valerianine +2.195
-
ME496560
-
C09991
2.195
-
Valerianine +3.0942497
-
ME493604
-
C09991
3.0942497
-
Valerianine +3.6056669
-
ME494613
-
C09991
3.6056669
-
Valeroidine
Valeroidine
ME502215
-
C10869
5.32
-
Valeroyl Salicylate
-
ME491772
-
-
1.644125
-
Val Glu Gln
Val-Glu-Gln
ME502176
-
-
3.367
-
Val Glu Gln +3.561
Val-Glu-Gln
ME502177
-
-
3.561
-
Val Glu Gln +3.657
Val-Glu-Gln
ME502178
-
-
3.657
-
Val Gly Ile
Val-Gly-Ile
ME492926
-
-
3.021
-
Val Gly Ile +3.672
Val-Gly-Ile
ME502179
-
-
3.672
-
Val Gly Ile +4.1545
Val-Gly-Ile
ME496550
-
-
4.1545
-
Val Gly Tyr
Val-Gly-Tyr
ME496551
-
-
3.9559999
-
Val Gly Tyr +4.089333
Val-Gly-Tyr
ME494610
-
-
4.089333
-
Val Gly Val
Val-Gly-Val
ME496552
-
-
3.72
-
Val His Asp
Val-His-Asp
ME502180
-
-
1.293
-
Val His Ser
Val-His-Ser
ME496553
-
-
5.7915
-
Val His Thr
Val-His-Thr
ME493600
-
-
1.39275
-
Val Ile His
Val-Ile-His
ME502181
-
-
4.035
-
Val Ile Ser
Val-Ile-Ser
ME502182
-
-
3.444
-
Val Ile Ser -3.428
Val-Ile-Ser
ME502183
-
-
3.428
-
Val Ile Ser +3.538
Val-Ile-Ser
ME496554
-
-
3.538
-
Val Ile Val
Val-Ile-Val
ME502184
-
-
5.143
-
Valiolone
Valiolone
ME494614
-
C12113
1.6209999
-
Valiolone -1.007
Valiolone
ME502216
-
C12113
1.007
-
Valiolone -1.048
Valiolone
ME502217
-
C12113
1.048
-
Valiolone -1.091
Valiolone
ME493605
-
C12113
1.091
-
Valiolone -1.22
Valiolone
ME502218
-
C12113
1.22
-
Valiolone -1.385
Valiolone
ME493606
-
C12113
1.385
-
Val Leu
Val-Leu
ME491081
-
-
3.932
-
Val Leu -3.91775
Val-Leu
ME493601
-
-
3.91775
-
Val Leu -4.104714
Val-Leu
ME492049
-
-
4.104714
-
Val Leu +4.1235714
Val-Leu
ME490862
-
-
4.1235714
-
Val Leu -4.356
Val-Leu
ME496555
-
-
4.356
-
Val Leu +4.3677998
Val-Leu
ME492927
-
-
4.3677998
-
Val Leu Asp
Val-Leu-Asp
ME502185
-
-
3.324
-
Val Leu Asp -3.858
Val-Leu-Asp
ME502186
-
-
3.858
-
Val Leu Asp -4.065
Val-Leu-Asp
ME502187
-
-
4.065
-
Val Leu Leu
Val-Leu-Leu
ME502188
-
-
5.619
-
Val Lys
Val-Lys
ME502189
-
-
0.941
-
Val Lys +1.0173
Val-Lys
ME491369
-
-
1.0173
-
Val Lys -1.0792
Val-Lys
ME492928
-
-
1.0792
-
Val Lys +1.094
Val-Lys
ME490751
-
-
1.094
-
Val Lys +1.168
Val-Lys
ME502190
-
-
1.168
-
Val Lys +1.3466667
Val-Lys
ME494611
-
-
1.3466667
-
Val Lys +1.661
Val-Lys
ME502191
-
-
1.661
-
Val Lys Ile
Val-Lys-Ile
ME502192
-
-
3.133
-
Val Lys Ile +3.216
Val-Lys-Ile
ME502193
-
-
3.216
-
Val Lys Ile +3.264
Val-Lys-Ile
ME502194
-
-
3.264
-
Val Lys Ile +3.948
Val-Lys-Ile
ME502195
-
-
3.948
-
Val Lys Lys
Val-Lys-Lys
ME502196
-
-
7.786
-
Val Lys Ser
Val-Lys-Ser
ME502197
-
-
3.967
-
Val Phe Tyr
Val-Phe-Tyr
ME502198
-
-
10.004
-
Valproic acid glucuronide
Valproic acid glucuronide
ME494615
-
C03033
4.3473334
-
Val Pro Phe
Val-Pro-Phe
ME502199
-
-
4.796
-
Val Pro Pro
Val-Pro-Pro
ME502200
-
-
4.058
-
Val Ser Phe
Val-Ser-Phe
ME502201
-
-
1.399
-
Val Trp
Val-Trp
ME492418
-
-
0.93983334
-
Val Trp Asp
Val-Trp-Asp
ME502202
-
-
1.637
-
Val Tyr
Val-Tyr
ME493602
-
-
1.6235
-
Val Tyr +1.396
Val-Tyr
ME502203
-
-
1.396
-
Val Tyr +3.364
Val-Tyr
ME502204
-
-
3.364
-
Val Tyr +3.897
Val-Tyr
ME502205
-
-
3.897
-
Val Tyr +3.898
Val-Tyr
ME502206
-
-
3.898
-
Val Tyr +4.3762503
Val-Tyr
ME493603
-
-
4.3762503
-
Val Tyr +4.869
Val-Tyr
ME502207
-
-
4.869
-
Val Tyr His
Val-Tyr-His
ME496556
-
-
6.632
-
Val Tyr His -6.728
Val-Tyr-His
ME502208
-
-
6.728
-
Val Val
Val-Val
ME491082
-
-
3.4034166
-
Val Val +1.1253333
Val-Val
ME494612
-
-
1.1253333
-
Val Val +1.391
Val-Val
ME502209
-
-
1.391
-
Val Val +1.627
Val-Val
ME502210
-
-
1.627
-
Val Val +1.884
Val-Val
ME502211
-
-
1.884
-
Val Val +3.072
Val-Val
ME496557
-
-
3.072
-
Val Val +3.32
Val-Val
ME502212
-
-
3.32
-
Val Val -3.397125
Val-Val
ME491771
-
-
3.397125
-
Val Val +3.619
Val-Val
ME502213
-
-
3.619
-
Val Val Lys
Val-Val-Lys
ME496558
-
-
3.4285002
-
Val Val Thr
Val-Val-Thr
ME502214
-
-
1.623
-
Vasicinone
Vasicinone
ME502219
-
C10744
3.831
-
Vat Yellow 4
-
ME502220
-
C19545
5.3
-
Velloquercetin
Velloquercetin
ME493607
-
C10194
1.0552499
-
Velloquercetin -1.1242001
Velloquercetin
ME492929
-
C10194
1.1242001
-
Velloquercetin -1.224
Velloquercetin
ME492419
-
C10194
1.224
-
Velloquercetin 3,3'-dimethyl ether
-
ME492420
-
-
3.429
-
Veracevine
-
ME494616
-
C10828
5.84
-
(+)-Veraguensin
-
ME494633
-
C10892
6.7255
-
(+)-Veraguensin +1.618
-
ME496599
-
C10892
1.618
-
(+)-Veraguensin -6.917
-
ME492052
-
C10892
6.917
-
(+)-Veraguensin -7.1425
-
ME494634
-
C10892
7.1425
-
(+)-Veraguensin -7.2526665
-
ME493616
-
C10892
7.2526665
-
Verapamil
Verapamil
ME502221
-
C07188
8.186
-
Vernodalol
-
ME502222
-
C09577
6.439
-
Vernoflexuoside
-
ME502223
-
C09579
1.345
-
Vernolate
-
ME502224
-
C19097
1.436
-
Verrucarin A
Verrucarin A
ME502225
-
C09746
3.662
-
(+)-Vestitol
-
ME496600
-
C10540
1.329
-
(+)-Vestitol +1.3950001
-
ME492428
-
C10540
1.3950001
-
Viloxazine
-
ME496561
-
D08673
3.48
-
Viloxazine +1.615
-
ME502226
-
D08673
1.615
-
Viloxazine +4.195
-
ME502227
-
D08673
4.195
-
Vinblastine
Vinblastine
ME502228
-
C07201
0.901
-
Vindoline
-
ME492930
-
C01626
4.6342
-
?-vinyl acrylic acid
-
ME496688
-
-
1.776
-
Vismione D
-
ME496562
-
C09977
7.191
-
Volkenin
Volkenin
ME490863
-
C08344
1.1675713
-
Volkenin +1.1385
Volkenin
ME496563
-
C08344
1.1385
-
Volkenin +1.397
Volkenin
ME502229
-
C08344
1.397
-
VPGPR Enterostatin
-
ME491773
-
-
6.482875
-
VPGPR Enterostatin +6.569
-
ME491083
-
-
6.569
-
V-PYRRO/NO
-
ME494617
-
-
1.159
-
V-PYRRO/NO +0.919
-
ME502230
-
-
0.919
-
V-PYRRO/NO +1.248
-
ME502231
-
-
1.248
-
V-PYRRO/NO +1.289
-
ME494618
-
-
1.289
-
V-PYRRO/NO +1.4805
-
ME496564
-
-
1.4805
-
V-PYRRO/NO +1.6214999
-
ME493608
-
-
1.6214999
-
W123
-
ME491084
-
-
7.54275
-
W123 +3.614
-
ME502232
-
-
3.614
-
W123 +4.52
-
ME502233
-
-
4.52
-
W123 +4.797
-
ME502234
-
-
4.797
-
W123 +5.333
-
ME502235
-
-
5.333
-
W123 +5.379
-
ME502236
-
-
5.379
-
W123 -7.5248003
-
ME492931
-
-
7.5248003
-
W123 -7.532
-
ME502237
-
-
7.532
-
W146
-
ME502238
-
-
4.678
-
Westiellamide
-
ME492050
-
C15739
8.834856
-
Westiellamide +7.419
-
ME493609
-
C15739
7.419
-
Westiellamide +7.8700004
-
ME494619
-
C15739
7.8700004
-
Westiellamide +9.048
-
ME494620
-
C15739
9.048
-
WZ811
-
ME502239
-
-
5.032
-
WZ811 -5.52
-
ME502240
-
-
5.52
-
Xanthosine
Xanthosine
ME494621
-
C01762
3.1373336
-
Xanthosine -3.197
Xanthosine
ME502241
-
C01762
3.197
-
XCT 790
-
ME496565
-
C15641
5.6025
-
Xeniasterol-b
-
ME502242
-
-
13.714
-
Xestoaminol C
Xestoaminol C
ME492421
-
-
10.308499
-
Xestoaminol C +10.344819
Xestoaminol C
ME491210
-
-
10.344819
-
Xipamide
-
ME502243
-
-
5.169
-
Xylobiose
Xylobiose
ME496566
-
C01630
1.0645
-
Xylobiose -1.041
Xylobiose
ME502244
-
C01630
1.041
-
Yellow AB
-
ME492932
-
C19552
1.622
-
Yellow AB +1.263
-
ME502245
-
C19552
1.263
-
Yellow AB +1.393
-
ME502246
-
C19552
1.393
-
Yellow OB
-
ME494622
-
C19553
1.3973333
-
YM-53601
-
ME502247
-
-
3.411
-
YM-53601 +0.93525004
-
ME493610
-
-
0.93525004
-
YS121
-
ME502248
-
-
3.205
-
Zalcitabine
Zalcitabine
ME491539
-
C07207
3.0861113
-
Zalcitabine +0.946
Zalcitabine
ME502249
-
C07207
0.946
-
Zalcitabine +1.133
Zalcitabine
ME494623
-
C07207
1.133
-
Zalcitabine +1.695
Zalcitabine
ME502250
-
C07207
1.695
-
Zalcitabine +3.067
Zalcitabine
ME502251
-
C07207
3.067
-
Zalcitabine +3.286
Zalcitabine
ME502252
-
C07207
3.286
-
Zaprinast
-
ME491774
-
-
1.3501251
-
Zaprinast +0.93700004
-
ME496567
-
-
0.93700004
-
Zaprinast +1.297
-
ME494624
-
-
1.297
-
Zaprinast +1.6283334
-
ME492422
-
-
1.6283334
-
Zaprinast +3.58
-
ME502253
-
-
3.58
-
Zearalanone
-
ME490615
-
C14754
12.003813
-
Zearalanone +10.401
-
ME496568
-
C14754
10.401
-
Zearalenone
Zearalenone
ME492423
-
C09981
9.274
-
zeleplon
-
ME493611
-
D00530
4.2105
-
Zephyramine
-
ME496569
-
C12195
9.77
-
Zephyramine +5.415
-
ME502254
-
C12195
5.415
-
Zephyramine +5.552
-
ME502255
-
C12195
5.552
-
Zinniol
-
ME502256
-
C10840
0.88
-
Zinniol +5.5874
-
ME492933
-
C10840
5.5874
-
Zinnolide
-
ME502257
-
C09983
4.031
-
Zinnolide +3.516
-
ME502258
-
C09983
3.516
-
ZK118182 isopropyl ester
-
ME492934
-
-
10.626399
-
ZK118182 isopropyl ester +14.14
-
ME502259
-
-
14.14
-
Zolazepam
-
ME492424
-
-
3.0801668
-
Zolpidem Metabolite II
-
ME502260
-
-
4.998
-
Zolpidem Metabolite II +5.914
-
ME502261
-
-
5.914
-
Zopiclone
Zopiclone
ME490616
-
C12808
11.922875
-
Zoxazolamine
Zoxazolamine
ME502262
-
C13841
0.923
-
Zuclopenthixol sulfoxide
-
ME496570
-
-
1.4089999
-
Zuclopenthixol sulfoxide +1.593
-
ME502263
-
-
1.593
-
Zuclopenthixol sulfoxide +1.636
-
ME502264
-
-
1.636
-
Zwittermicin A
-
ME502265
-
C15726
3.239
-
Zygadenine
Zygadenine
ME496571
-
C10831
7.762
-
Zygadenine -9.058001
Zygadenine
ME496572
-
C10831
9.058001
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10,11-Dihydro-10,11-dihydroxyprotriptyline
-
ME504410
-
-
1.54
-
10,12-Tetradecadiene-4,6-diynoic acid, (E,E)-
-
ME503192
-
-
1.7032502
-
10-[3]-ladderane-decanoic acid
-
ME505419
-
-
1.476
-
10-(beta-Dimethylaminopropionyl)phenothiazine
-
ME502954
-
C17619
3.2032728
-
10-Carboxy-13-deoxycarminomycin
-
ME504411
-
C12427
1.004
-
10-Deacetyl-2-debenzoylbaccatin III
10-Deacetyl-2-debenzoylbaccatin III
ME502564
-
C11899
1.1443635
-
10-Deacetyl-2-debenzoylbaccatin III +1.1528888
10-Deacetyl-2-debenzoylbaccatin III
ME502660
-
C11899
1.1528888
-
10-Desacetyltaxuyunnanin C
-
ME504412
-
C15538
1.5785
-
10-dodecynoic acid
-
ME503296
-
-
1.2535714
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid
-
ME503768
-
-
1.1915
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1....
-
ME505420
-
-
1.1
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1....
-
ME504413
-
-
1.286
-
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1....
-
ME505421
-
-
1.513
-
10-Hydroxymorroniside
-
ME503588
-
C11660
5.6921997
-
10-Hydroxymorroniside +6.0585003
-
ME504414
-
C11660
6.0585003
-
10-keto stearic acid
-
ME502399
-
-
1.0899667
-
10-keto stearic acid +1.135
-
ME505422
-
-
1.135
-
10-nitro-9E-octadecenoic acid
10-Nitrooleic acid
ME505423
-
-
5.543
-
10-nitro-9E-octadecenoic acid +1.10425
10-Nitrooleic acid
ME503769
-
-
1.10425
-
10-nitro,9Z,12Z-octadecadienoic acid
10-Nitrolinoleic acid
ME503433
-
-
1.1110001
-
10-oxo-nonadecanoic acid
-
ME503589
-
-
1.1138
-
(10S)-Juvenile hormone III acid diol
-
ME504389
-
C16506
4.6885
-
(10S)-Juvenile hormone III acid diol +1.689
-
ME505386
-
C16506
1.689
-
(10S)-Juvenile hormone III diol
-
ME503758
-
C16505
1.3235
-
11,12-dihydroxy stearic acid
-
ME504054
-
-
1.1723332
-
1,1,2-Triphenylpropane
-
ME503094
-
C14278
1.2658888
-
1,1,2-Triphenylpropane +1.262
-
ME505409
-
C14278
1.262
-
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-s...
-
ME505425
-
-
1.333
-
11-beta-hydroxyandrosterone-3-glucuronide
11beta-Hydroxyandrosterone-3-glucuronide
ME504415
-
C03033
2.8795
-
1,1-Bis(4-hydroxyphenyl)ethane
-
ME505410
-
C14349
3.772
-
11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?...
-
ME504055
-
-
6.3929996
-
1,1-Diphenyl-2-(4-methoxyphenyl)propene
-
ME503764
-
C15179
5.8492503
-
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.267
-
ME505411
-
C15179
6.267
-
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.3176665
-
ME504051
-
C15179
6.3176665
-
11E,13-Tetradecadienyl acetate
-
ME505426
-
-
1.073
-
11H-Benz[bc]aceanthrylene
-
ME504416
-
C19335
1.1105
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid
-
ME505427
-
-
1.177
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1....
-
ME503297
-
-
1.1934286
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1....
-
ME504417
-
-
1.3325
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1....
-
ME504418
-
-
1.3794999
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1....
-
ME504419
-
-
1.6285
-
11-Ketoetiocholanolone
11-Ketoetiocholanolone
ME502640
-
C14671
1.1163157
-
11-Ketoetiocholanolone +1.17
11-Ketoetiocholanolone
ME505428
-
C14671
1.17
-
11-Ketoetiocholanolone +1.264
11-Ketoetiocholanolone
ME505429
-
C14671
1.264
-
11-lauroleic acid
-
ME502901
-
-
1.1005832
-
11-lauroleic acid +1.2702
-
ME503591
-
-
1.2702
-
11-lauroleic acid +1.42
-
ME505430
-
-
1.42
-
11-Methyl-9Z,12-tridecadienyl acetate
-
ME502641
-
-
1.1303684
-
11-Methyl-9Z,12-tridecadienyl acetate +1.175
-
ME504056
-
-
1.175
-
11-Methyl-9Z,12-tridecadienyl acetate +1.222
-
ME504420
-
-
1.222
-
11?-Prostaglandin F1?
-
ME503434
-
-
1.0796667
-
11(R)-HETE
11R-HETE
ME503006
-
-
1.1594
-
11(S)-HEPE
11S-HEPE
ME503590
-
-
1.1340001
-
11(S)-HEPE +1.099
11S-HEPE
ME505424
-
-
1.099
-
(11Z)-8,18-methano-retinal
-
ME504390
-
-
1.3725
-
(11Z)-8,18-propano-retinal
-
ME504039
-
-
1.1826668
-
11Z-Eicosenal
-
ME502267
-
-
1.1192813
-
11Z-Eicosenal +6.7185
-
ME504421
-
-
6.7185
-
11Z-tetradecenoyl-CoA
11Z-Tetradecenoyl-CoA
ME502438
-
C06737
1.0091785
-
12,13-DiHOME
12,13-DiHOME
ME503435
-
C14829
1.1501666
-
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic aci...
-
ME504422
-
-
1.1105
-
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-ni...
-
ME505412
-
-
2.294
-
12-amino-octadecanoic acid
-
ME503770
-
-
4.17725
-
1,2-Didecanoyl-sn-glycerol
-
ME503431
-
C03199
1.1273333
-
1',2'-Dihydrochlorobactene
-
ME503765
-
C15910
4.291
-
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene
-
ME502437
-
C12263
1.5719999
-
1,2-Epoxybutane
-
ME505413
-
C19237
1.112
-
1,2-Epoxybutane +1.281
-
ME505414
-
C19237
1.281
-
1,2-Epoxypropane
-
ME502459
-
C15508
1.3874815
-
1,2-Epoxypropane +1.1515
-
ME504409
-
C15508
1.1515
-
12-HETE-GABA
-
ME503193
-
-
1.182375
-
12?-Hydroxy-3,6-dioxo-5?-cholan-24-oic Acid
-
ME505431
-
-
1.247
-
12-Hydroxybenzo[a]pyrene
-
ME504423
-
C14563
4.6724997
-
12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-...
-
ME504424
-
-
1.3205
-
12-methyl-10-oxo-tridecanoic acid
12-Methyl-10-oxotridecanoic acid
ME505432
-
-
7.54
-
1,2-O-Diacetylzephyranthine
-
ME503295
-
C12171
6.209857
-
1,2-O-Diacetylzephyranthine +6.27975
-
ME503191
-
C12171
6.27975
-
12-oxo-10Z-octadecenoic acid
-
ME502268
-
-
1.1477499
-
12-oxo-10Z-octadecenoic acid +1.092
-
ME502619
-
-
1.092
-
12-oxo-10Z-octadecenoic acid +1.3195
-
ME503771
-
-
1.3195
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME502439
-
-
4.0399995
-
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]ami...
-
ME503586
-
-
6.5546
-
12R-acetoxy-7Z-punaglandin 3
-
ME504425
-
-
1.0044999
-
12R-HETrE
-
ME505433
-
-
1.115
-
12S-acetoxy-punaglandin 5
-
ME503194
-
-
1.0855
-
12S-acetoxy-punaglandin 5 +1.088
-
ME505434
-
-
1.088
-
12S-acetoxy-punaglandin 5 +1.128
-
ME505435
-
-
1.128
-
12S-hydroxy-16-heptadecynoic acid
12S-Hydroxy-16-heptadecynoic acid
ME503298
-
-
1.1034286
-
13,14-dihydro-15-keto Prostaglandin J2
-
ME503592
-
-
5.2200003
-
13,14-dihydro-15-keto Prostaglandin J2 +1.1516666
-
ME504057
-
-
1.1516666
-
13,14-epoxy Fluprostenol Isopropyl Ester
-
ME503299
-
-
1.4594287
-
13,17-octadecadiynoic acid
-
ME504426
-
-
1.34
-
1?,3?,4?-p-menthane-3,8-diol
-
ME505418
-
-
1.163
-
1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene
ME505415
-
-
1.123
-
1-(3-Aminopropyl)-4-aminobutanal
-
ME502618
-
-
6.31905
-
1-(3-Aminopropyl)-4-aminobutanal +2.719
-
ME505405
-
-
2.719
-
1-(3-Aminopropyl)-4-aminobutanal +6.0804996
-
ME504408
-
-
6.0804996
-
1,3-Butadiene
1,3-Butadiene
ME503766
-
C16450
1.85625
-
13-Deoxytedanolide
-
ME504427
-
C16861
1.4784999
-
13-Deoxytedanolide +1.468
-
ME505436
-
C16861
1.468
-
13-Deoxytedanolide +1.72
-
ME505437
-
C16861
1.72
-
13-Docosenamide
13-Docosenamide
ME502269
-
-
1.08
-
13-Docosenamide +1.1372187
13-Docosenamide
ME502270
-
-
1.1372187
-
13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-...
-
ME503772
-
-
6.11725
-
1(3)-glyceryl-PGH2
-
ME504407
-
-
1.5799999
-
13H-Dibenzo[a,g]fluorene
-
ME504428
-
C19391
7.8645
-
13-hydroxy-docosanoic acid
13-Hydroxy-docosanoic acid
ME503773
-
-
4.0150003
-
13-tetradecen-2,4-diyn-1-ol
-
ME504429
-
-
1.472
-
13Z-octadecenoic acid
13Z-Octadecenoic acid
ME503593
-
-
1.0680001
-
1400W
-
ME505438
-
-
8.684
-
1,4'-Bipiperidine-1'-carboxylic acid
-
ME502364
-
C16836
7.1219683
-
1,4-Dioxane
-
ME503767
-
C14440
1.70725
-
14E-Octadecenal
-
ME503594
-
-
1.1064
-
14-Fluoro-11Z-tetradecenyl acetate
-
ME502733
-
-
1.0871251
-
14-Fluoro-11Z-tetradecenyl acetate +1.0993912
-
ME502539
-
-
1.0993912
-
14R-hydroxy-11Z-eicosenoic acid
-
ME505439
-
-
1.151
-
15-epi-15-A2c-IsoP
-
ME505440
-
-
5.223
-
(±)15-HEDE
-
ME504387
-
-
1.0745
-
15-HETE-G
-
ME505441
-
-
1.13
-
15-HETE-GABA
-
ME504058
-
-
1.6706667
-
1-(5-Hydroxy-2-pyrimidinyl)piperazine
-
ME503763
-
-
2.0795
-
1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.067
-
ME505406
-
-
2.067
-
1,5-Naphthalenediamine
1,5-Naphthalenediamine
ME503432
-
C19463
3.106
-
1,5-Naphthalenediamine +1.5698
1,5-Naphthalenediamine
ME503587
-
C19463
1.5698
-
15-octadecene-9,11,13-triynoic acid
-
ME504431
-
-
2.802
-
15-octadecene-9,11,13-triynoic acid +1.3425
-
ME504432
-
-
1.3425
-
15-oxo-18Z-tetracosenoic acid
-
ME505442
-
-
1.058
-
15-Oxo-5?-cholan-24-oic Acid
-
ME504059
-
-
1.0803334
-
15-Oxo-5?-cholan-24-oic Acid +1.051
-
ME505443
-
-
1.051
-
15-Oxo-5?-cholan-24-oic Acid +1.256
-
ME504060
-
-
1.256
-
15-Oxo-5?-cholan-24-oic Acid +1.336
-
ME502955
-
-
1.336
-
15(R)-15-methyl Prostaglandin A2
-
ME502642
-
-
4.1286325
-
15(R)-17-phenyl trinor PGF2? isopropyl ester
-
ME503595
-
-
1.6417999
-
15R-PGE2 methyl ester, 15-acetate
-
ME505444
-
-
1.357
-
15(S)-HETE-biotin
-
ME503774
-
-
4.1365
-
15(S)-HETE-biotin +4.476
-
ME503775
-
-
4.476
-
15(S)-Latanoprost
-
ME504430
-
-
1.332
-
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenz...
-
ME505445
-
-
1.096
-
16-Feruloyloxypalmitate
-
ME504433
-
C18217
1.5799999
-
16-Feruloyloxypalmitate +1.3405
-
ME504434
-
C18217
1.3405
-
16-fluoro-hexadecanoic acid
16-Fluoro-hexadecanoic acid
ME504435
-
C13948
1.0805
-
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,2...
-
ME505446
-
C15309
1.568
-
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one
-
ME504436
-
C14911
1.3794999
-
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one +1.125
-
ME505447
-
C14911
1.125
-
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acet...
-
ME504437
-
C15180
1.2385
-
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one
-
ME502661
-
C14588
1.0970556
-
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one +1....
-
ME503095
-
C14588
1.1287777
-
17beta-Methylestra-1,3,5(10)-trien-3-ol
17beta-Methylestra-1,3,5(10)-trien-3-ol
ME503436
-
C15020
1.4894999
-
17beta-Methylestra-1,3,5(10)-trien-3-ol +4.5179996
17beta-Methylestra-1,3,5(10)-trien-3-ol
ME504438
-
C15020
4.5179996
-
17beta-Methylestra-1,3,5(10)-trien-3-ol +7.948
17beta-Methylestra-1,3,5(10)-trien-3-ol
ME505448
-
C15020
7.948
-
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol
-
ME505449
-
C15197
1.053
-
1,7-Dihydroxytacrine
-
ME505416
-
-
1.454
-
17-Epiestriol
-
ME503300
-
-
6.295857
-
17-Epiestriol +6.6743994
-
ME503007
-
-
6.6743994
-
17-hydroxyandrostane-3-glucuronide
11beta-Hydroxyandrosterone-3-glucuronide
ME505450
-
-
1.701
-
17-hydroxyandrostane-3-glucuronide +2.4515
-
ME504439
-
-
2.4515
-
17-oxo-20Z-hexacosenoic acid
17-Oxo-20Z-hexacosenoic acid
ME505451
-
-
1.051
-
17-phenyl trinor PGF2? cyclohexyl amide
-
ME504440
-
-
1.8375
-
17-phenyl trinor Prostaglandin E2 serinol amide
-
ME502271
-
-
1.1519063
-
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME504052
-
C04277
5.8266664
-
1,8-Diazacyclotetradecane-2,9-dione +5.534
1,8-Diazacyclotetradecane-2,9-dione
ME505417
-
C04277
5.534
-
1,8-Diazacyclotetradecane-2,9-dione +6.753293
1,8-Diazacyclotetradecane-2,9-dione
ME502699
-
C04277
6.753293
-
18-hydroxy-9R,10S-epoxy-stearic acid
-
ME502478
-
-
1.151577
-
18-hydroxy-9R,10S-epoxy-stearic acid +1.2876667
-
ME504061
-
-
1.2876667
-
1,9-Dimethyluric acid
-
ME504053
-
-
1.9743334
-
19-methyl-heneicosanoic acid
-
ME502272
-
-
4.045218
-
19-oxo-22Z-octacosenoic acid
-
ME505453
-
-
1.049
-
19-Oxo-9-cis-retinoic acid
-
ME504441
-
-
1.1489999
-
19(R)-hydroxy-PGB2
19R-Hydroxy-PGB2
ME505452
-
-
1.584
-
1a,1b-dihomo-PGE1
-
ME503301
-
-
1.1825714
-
1a,1b-dihomo-PGE1 +1.1812857
-
ME503302
-
-
1.1812857
-
1a,1b-dihomo-PGE1 +1.338
-
ME504442
-
-
1.338
-
1-amino-3,3-diethoxypropane
-
ME504443
-
-
6.0284996
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME502956
-
-
7.072182
-
1-Aminocyclohexanecarboxylic acid +1.9605
1-Azaniumylcyclohexane-1-carboxylate
ME503776
-
-
1.9605
-
1-Aminocyclohexanecarboxylic acid +4.9695625
1-Azaniumylcyclohexane-1-carboxylate
ME502734
-
-
4.9695625
-
1-Aminocyclohexanecarboxylic acid +5.130333
1-Azaniumylcyclohexane-1-carboxylate
ME504062
-
-
5.130333
-
1-Aminocyclohexanecarboxylic acid +5.94425
1-Azaniumylcyclohexane-1-carboxylate
ME503777
-
-
5.94425
-
1-Aminocyclohexanecarboxylic acid +6.065
1-Azaniumylcyclohexane-1-carboxylate
ME505454
-
-
6.065
-
1-Aminocyclohexanecarboxylic acid +7.973
1-Azaniumylcyclohexane-1-carboxylate
ME505455
-
-
7.973
-
1-Aminocyclohexanecarboxylic acid +8.2985
1-Azaniumylcyclohexane-1-carboxylate
ME504444
-
-
8.2985
-
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
ME505456
-
C05201
1.341
-
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-...
-
ME504063
-
-
1.1216667
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME504050
-
C15497
2.4273336
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +...
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME505407
-
C15497
2.863
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +...
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME505408
-
C15497
3.215
-
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
-
ME504064
-
C01298
2.4966667
-
1-Fluorocyclohexadiene-cis,cis-1,2-diol
-
ME504445
-
C16484
1.2925
-
1-Hexadecylamine
1-Hexadecylamine
ME502273
-
-
3.7383437
-
1-Hexadecylamine +3.8715
1-Hexadecylamine
ME504446
-
-
3.8715
-
1-Hexadecylamine +4.050226
1-Hexadecylamine
ME502365
-
-
4.050226
-
1-Hexen-1-ol
-
ME505457
-
-
1.265
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester
-
ME505387
-
-
2.75
-
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +3....
-
ME504391
-
-
3.01
-
1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl...
-
ME505458
-
-
2.941
-
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxi...
-
ME504447
-
C04731
7.1365004
-
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxi...
-
ME504448
-
C04731
4.196
-
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxi...
-
ME505459
-
C04731
6.515
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME503195
-
-
1.701375
-
1-Methylhypoxanthine +2.371
1-Methylhypoxanthine
ME504065
-
-
2.371
-
1-Methylhypoxanthine +2.587
1-Methylhypoxanthine
ME505460
-
-
2.587
-
1-Methylhypoxanthine +2.74
1-Methylhypoxanthine
ME505461
-
-
2.74
-
1-Methylhypoxanthine +3.0830002
1-Methylhypoxanthine
ME503437
-
-
3.0830002
-
1-Naphthylamine
1-Naphthylamine
ME502957
-
C14790
4.539273
-
1-Naphthylamine +1.528
1-Naphthylamine
ME505462
-
C14790
1.528
-
1-NBD-decanoyl-2-decanoyl-sn-Glycerol
-
ME504449
-
-
1.903
-
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.251
-
ME504450
-
-
3.251
-
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.287
-
ME505463
-
-
3.287
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene
-
ME505464
-
C14801
2.419
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.600235...
-
ME502700
-
C14801
1.6002351
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.8775
-
ME504451
-
C14801
1.8775
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene +2.098
-
ME505465
-
C14801
2.098
-
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosy...
-
ME505466
-
C19784
6.055
-
1-O-alpha-D-glucopyranosyl-1,2-eicosandiol
-
ME505467
-
-
1.413
-
1-Octadecanamine
-
ME502400
-
-
4.0044675
-
1-Octadecanamine +3.8815
-
ME504452
-
-
3.8815
-
1-Phenylbiguanide
-
ME503008
-
-
1.3675001
-
1-Phenylbiguanide +6.426
-
ME505468
-
-
6.426
-
1-Pyrroline
1-Pyrroline
ME503438
-
C15668
5.418667
-
1-Pyrroline +5.592
1-Pyrroline
ME505469
-
C15668
5.592
-
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME503090
-
-
1.1097779
-
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalc...
-
ME502857
-
-
1.2483077
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME502563
-
-
1.239
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME504392
-
-
1.1285
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME505388
-
-
1.657
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME505389
-
-
4.813
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid
-
ME505390
-
-
1.124
-
20-HETE-d6
20-HETE
ME505485
-
-
1.115
-
2-(1-Aziridinyl)ethanol
-
ME502366
-
C19332
5.4184523
-
2-(1-Aziridinyl)ethanol +5.599
-
ME505470
-
C19332
5.599
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid
-
ME503005
-
-
1.6839001
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1...
-
ME505391
-
-
1.34
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1...
-
ME502950
-
-
1.838182
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1...
-
ME504393
-
-
1.99
-
2,3,3-Triphenylacrylonitrile
-
ME504456
-
C14599
7.7005
-
2,3,3-Triphenylacrylonitrile +8.0605
-
ME504457
-
C14599
8.0605
-
2,3,5-Trimethacarb
-
ME502440
-
C18957
6.943393
-
2,3,5-Trimethacarb +5.9592
-
ME503596
-
C18957
5.9592
-
2,3,5-Trimethacarb +6.6106663
-
ME504067
-
C18957
6.6106663
-
2,3,5-Trimethacarb +6.6637497
-
ME503196
-
C18957
6.6637497
-
2,3,5-Trimethacarb +6.914
-
ME505473
-
C18957
6.914
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid
-
ME503197
-
-
1.3215
-
2,3-Dihydroxynaphthalene
-
ME504458
-
C16213
7.219
-
2,3-Dihydroxynaphthalene +1.494
-
ME505474
-
C16213
1.494
-
2,3-Diketo-13,14-dihydro-PGF1a
-
ME505475
-
-
1.413
-
2,3-Dinor-11b-PGF2?
2,3-Dinor-11beta-PGF2alpha
ME504068
-
-
1.3816667
-
2,3-dinor, 6-keto-PGF1?
-
ME503597
-
-
1.0639999
-
2,3-Dinor-6-keto-prostaglandin F1 a
2,3-Dinor-6-keto-prostaglandin F1 alpha
ME504462
-
-
1.2535
-
2,3-dinor Thromboxane B1
2,3-Dinor-TXB1
ME503009
-
-
1.0692999
-
2,3-dinor Thromboxane B1 +1.07
2,3-Dinor-TXB1
ME505476
-
-
1.07
-
2,3-dinor Thromboxane B1 +1.2349999
2,3-Dinor-TXB1
ME504459
-
-
1.2349999
-
2,3-dinor Thromboxane B1 +1.2355
2,3-Dinor-TXB1
ME504460
-
-
1.2355
-
2,3-dinor Thromboxane B1 +1.391
2,3-Dinor-TXB1
ME504461
-
-
1.391
-
2,3-Diphenyl-1-indanone
-
ME504463
-
C14657
6.9049997
-
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phe...
-
ME502815
-
C15193
1.3210001
-
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME502274
-
C17214
1.046375
-
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R...
-
ME504394
-
-
1.1945
-
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-d...
-
ME505486
-
-
6.403
-
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluo...
-
ME503440
-
-
1.6891667
-
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluo...
-
ME503441
-
-
1.8376665
-
2,4,6,8,10-dodecapentaenal
2,4,6,8,10-Dodecapentaenal
ME503598
-
-
1.6646
-
2,4,6-Trimethylacetophenone imine
-
ME502518
-
-
5.1651664
-
2,4,7-tridecatrienal
-
ME503096
-
-
1.2383333
-
2,4,7-tridecatrienal +1.107
-
ME505477
-
-
1.107
-
2,4,7-tridecatrienal +1.464
-
ME505478
-
-
1.464
-
2,4-Diamino-6,7-dimethoxyquinazoline
-
ME503599
-
-
6.0582
-
2,4-Diamino-6,7-dimethoxyquinazoline +2.2867498
-
ME503780
-
-
2.2867498
-
2,4-Diamino-6,7-dimethoxyquinazoline +2.3823335
-
ME503439
-
-
2.3823335
-
2,4-Diamino-6-hydroxylaminotoluene
-
ME502620
-
C16399
5.41585
-
2,4-Diaminoanisole
-
ME504069
-
C19218
5.011667
-
2,4-Diaminoanisole +3.5993335
-
ME504070
-
C19218
3.5993335
-
2,4-Dichlorophenoxybutyric Acid, Methyl Ester
-
ME504464
-
-
0.79050004
-
2,4-heptadienal
-
ME505479
-
-
1.128
-
24-hydroxy-10Z-tetracosenoic acid
-
ME502958
-
-
1.1236364
-
24-hydroxy-10Z-tetracosenoic acid +4.199875
-
ME503198
-
-
4.199875
-
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-p...
-
ME504071
-
-
1.1713334
-
2,4-octadienal
(E,E)-2,4-Octadienal
ME505480
-
-
1.185
-
(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (2...
-
ME502639
-
-
1.0373684
-
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha...
-
ME503602
-
-
1.8096001
-
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME502275
-
C12835
5.693312
-
2,5-Dichloro-4-oxohex-2-enedioate +5.9761996
2,5-Dichloro-4-oxohex-2-enedioate
ME503600
-
C12835
5.9761996
-
2-(5'-Methylthio)pentylmalic acid
-
ME504453
-
C17222
1.706
-
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-chole...
-
ME505392
-
-
3.649
-
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-chole...
-
ME504395
-
-
3.6455
-
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15...
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol
ME502951
-
-
1.2687274
-
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15...
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol
ME504396
-
-
1.3365
-
2,5-undecadienal
-
ME505481
-
-
7.075
-
2,5-undecadienal +6.441
-
ME505482
-
-
6.441
-
2,5-undecadienal +7.4126
-
ME503601
-
-
7.4126
-
2,5-Xylidine
-
ME503097
-
C18993
5.0237784
-
2,6-Diamino-4-nitrotoluene
-
ME503303
-
C16397
7.030429
-
2,6-Diamino-4-nitrotoluene +4.256
-
ME505483
-
C16397
4.256
-
2,6-Dimethoxyphenol
-
ME505484
-
C10787
2.294
-
26-Hydroxybrassinolide
-
ME502590
-
C19874
1.3236191
-
26-Hydroxybrassinolide +1.102
-
ME505487
-
C19874
1.102
-
26-Hydroxybrassinolide +1.263
-
ME505488
-
C19874
1.263
-
26-Hydroxybrassinolide +1.3845
-
ME503442
-
C19874
1.3845
-
26-Hydroxybrassinolide +1.479
-
ME504465
-
C19874
1.479
-
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME502499
-
-
1.0772797
-
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +1.2
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME505489
-
-
1.2
-
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +2.394...
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME503199
-
-
2.394625
-
27-Norcholestanehexol
-
ME503443
-
-
1.2340001
-
27-Norcholestanehexol +1.256
-
ME505490
-
-
1.256
-
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3...
-
ME505491
-
-
4.396
-
2alpha-Methylpregn-4-ene-3,20-dione
-
ME505492
-
C15116
1.111
-
2-amino-14,16-dimethyloctadecan-3-ol
2-Amino-14,16-dimethyloctadecan-3-ol
ME502566
-
-
4.0193186
-
2-amino-14,16-dimethyloctadecan-3-ol +1.1455
2-Amino-14,16-dimethyloctadecan-3-ol
ME504466
-
-
1.1455
-
2-Amino-2-methyl-1-propanol
-
ME502460
-
-
1.6637037
-
2-Amino-2-methyl-1-propanol +1.5301111
-
ME503098
-
-
1.5301111
-
2-Amino-2-methyl-1-propanol +5.436218
-
ME502276
-
-
5.436218
-
2-Amino-2-methyl-1-propanol +5.7185
-
ME504467
-
-
5.7185
-
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid
-
ME505493
-
C16850
6.06
-
2-Amino-3-methyl-1-butanol
-
ME502367
-
-
5.9565816
-
2-Amino-3-methyl-1-butanol +5.621
-
ME505494
-
-
5.621
-
2-Amino-3-methyl-9H-pyrido[2,3-b]indole
-
ME504468
-
C19253
1.3855
-
2-amino-4-cyano-butanoic acid
-
ME505495
-
C05717
2.709
-
2-amino-4'-hydroxy-Propiophenone
-
ME505496
-
-
6.659
-
2-amino-4'-hydroxy-Propiophenone +2.058
-
ME504469
-
-
2.058
-
2-amino-4'-hydroxy-Propiophenone +2.133
-
ME505497
-
-
2.133
-
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7...
-
ME503603
-
-
7.6535997
-
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7...
-
ME505498
-
-
7.869
-
2-Amino-5-oxohexanoate
-
ME503604
-
C05825
6.4882
-
2-Amino-5-oxohexanoate +6.7047143
-
ME503304
-
C05825
6.7047143
-
2-amino-8-oxo-9,10-epoxy-decanoic acid
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME503444
-
C12027
1.656
-
2-amino-8-oxo-9,10-epoxy-decanoic acid +1.9973334
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME504072
-
C12027
1.9973334
-
2-amino-8-oxo-9,10-epoxy-decanoic acid +2.8276
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME503605
-
C12027
2.8276
-
2-amino-tetradecanoic acid
2-Aminotetradecanoic acid
ME505499
-
-
1.094
-
2-amino-tetradecanoic acid +4.135
2-Aminotetradecanoic acid
ME505500
-
-
4.135
-
2-Benzimidazolylguanidine
-
ME502701
-
C10898
7.648353
-
2-Benzimidazolylguanidine +6.064
-
ME503781
-
C10898
6.064
-
2-Benzimidazolylguanidine +7.707
-
ME505501
-
C10898
7.707
-
2-(beta-D-Glucosyl)-sn-glycerol
-
ME504454
-
C11546
3.264
-
2-(beta-D-Glucosyl)-sn-glycerol +3.324
-
ME505471
-
C11546
3.324
-
2 -(Butylamido)-4-hydroxybutanoic acid
-
ME503778
-
C11843
6.30475
-
2-Chloro-1,4-naphthoquinone
2-Chloro-1,4-naphthoquinone
ME505502
-
C03753
13.421
-
2-Dehydro-3-deoxy-L-rhamnonate
-
ME505503
-
C03979
6.165
-
2-demethylmenaquinone-8
-
ME503782
-
-
5.10675
-
2-Deoxy-2-dimethylamino-alpha-D-Glucose
-
ME505504
-
C12067
6.314
-
2'-Deoxymugineic acid
-
ME502735
-
C15485
6.0716867
-
2'-Deoxymugineic acid +6.1390667
-
ME502770
-
C15485
6.1390667
-
2'-Deoxymugineic acid +6.6060004
-
ME504073
-
C15485
6.6060004
-
2'-Deoxyuridine
Deoxyuridine
ME502621
-
C00526
6.6805496
-
2'-Deoxyuridine +7.0474167
Deoxyuridine
ME502902
-
C00526
7.0474167
-
2-(diethylamino)-4'-hydroxy-Propiophenone
-
ME505472
-
-
6.281
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME502771
-
C10916
5.009001
-
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +7.5014...
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME503010
-
C10916
7.501401
-
2E,4E,8E,10E-Dodecatetraenedioic acid
-
ME503783
-
-
2.275
-
2E,4E,8Z,10E-dodecatetraenoic acid
-
ME503200
-
-
2.68975
-
2E,4E,8Z,10E-dodecatetraenoic acid +1.2168571
-
ME503305
-
-
1.2168571
-
2E-hexenol
-
ME502277
-
-
5.165156
-
2E-hexenol +1.193
-
ME504074
-
-
1.193
-
2-Ethyl-2-methyl-3-hydroxysuccinimide
-
ME503099
-
-
2.9263334
-
2-Ethyl-2-methyl-3-hydroxysuccinimide +2.755
-
ME505505
-
-
2.755
-
2-Ethyltoluene
-
ME504075
-
C14572
1.1456666
-
2-glyceryl-PGF2?
-
ME504470
-
-
6.696
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME504471
-
-
1.73
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME504472
-
-
6.837
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME504473
-
-
7.1365004
-
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chl...
-
ME505506
-
-
5.571
-
2-Hexylglycerol
-
ME504474
-
-
1.178
-
2-Hexynoic acid, 6-hydroxy-
6-Hydroxy-2-hexynoic acid
ME504076
-
-
6.2776666
-
2-Hexynoic acid, 6-hydroxy- +7.239529
6-Hydroxy-2-hexynoic acid
ME502702
-
-
7.239529
-
2-Hexynoic acid, 6-hydroxy- +7.24475
6-Hydroxy-2-hexynoic acid
ME503784
-
-
7.24475
-
2-Hexynoic acid, 6-hydroxy- +7.3039994
6-Hydroxy-2-hexynoic acid
ME504077
-
-
7.3039994
-
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-met...
-
ME503100
-
-
6.254111
-
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-met...
-
ME503201
-
-
6.9265003
-
2'-Hydroxy-2,4',6'-trimethoxychalcone
-
ME502278
-
-
1.0783747
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
-
ME502816
-
-
1.2432144
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +1.5135
-
ME504475
-
-
1.5135
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.1165
-
ME504476
-
-
2.1165
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.384
-
ME503785
-
-
2.384
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.398
-
ME505507
-
-
2.398
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone +2.598
-
ME504477
-
-
2.598
-
2-hydroxy-4- (methylthio) butyric acid
2-Hydroxy-4-(methylthio)butanoic acid
ME502817
-
-
3.403857
-
2-hydroxy-4- (methylthio) butyric acid +3.388
2-Hydroxy-4-(methylthio)butanoic acid
ME505508
-
-
3.388
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME504078
-
-
1.223
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME502662
-
C16582
6.3032775
-
2-Hydroxyfelbamate +6.2269998
2-Hydroxyfelbamate
ME504079
-
C16582
6.2269998
-
2-hydroxy-heptadecanoic acid
-
ME504478
-
-
1.118
-
2-Hydroxypyridine
2-Hydroxypyridine
ME503202
-
C02502
1.4882499
-
2-Hydroxypyridine +4.9263334
2-Hydroxypyridine
ME504080
-
C02502
4.9263334
-
2-Imino-4-methylpiperidine
-
ME504081
-
-
7.640333
-
2-Imino-4-methylpiperidine +4.792
-
ME505509
-
-
4.792
-
2-Methoxyestradiol-17? 3-sulfate
-
ME504479
-
C08359
6.557
-
2-methyl-3-Pyrimidin-2-yl-Propionic Acid
-
ME505510
-
-
6.64
-
2-methylbutanal oxime
-
ME505511
-
C19491
9.06
-
2-methylbutanal oxime +5.7497144
-
ME503306
-
C19491
5.7497144
-
2-methylbutanal oxime +8.576
-
ME504480
-
C19491
8.576
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME502858
-
-
1.1505386
-
2-Methylbutyroylcarnitine +1.2622858
CAR 4:0;2Me
ME502591
-
-
1.2622858
-
2-methyl-hexanoic acid
-
ME503101
-
-
1.2571111
-
2-Methylindoline
2-Methylindoline
ME503445
-
-
6.2879996
-
2-Methylpyridine
-
ME502772
-
C14447
5.7421327
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME503786
-
-
1.1765001
-
2-methyl-tridecanedioic acid +1.652
2-Methyl-tridecanedioic acid
ME505512
-
-
1.652
-
2-Naphthylalanine
-
ME504481
-
-
5.086
-
(2-Naphthyl)methanol
(2-Naphthyl)methanol
ME503583
-
C02909
1.6872
-
(2-Naphthyl)methanol +1.33
(2-Naphthyl)methanol
ME503294
-
C02909
1.33
-
2-(N-morpholino)ethanesulfonic acid
2-(N-Morpholino)ethanesulfonic acid
ME503779
-
-
1.7594999
-
2-(N-morpholino)ethanesulfonic acid +2.368
2-(N-Morpholino)ethanesulfonic acid
ME504455
-
-
2.368
-
2-(N-morpholino)ethanesulfonic acid +6.4026666
2-(N-Morpholino)ethanesulfonic acid
ME504066
-
-
6.4026666
-
2-O-Acetylpseudolycorine
-
ME504482
-
C12237
6.2105
-
2-(Octylthio)ethanol
-
ME502565
-
C18863
1.1398638
-
2-Oxo-6-methylthiohexanoic acid
-
ME505513
-
C17216
8.613
-
2-oxo-docosanoic acid
-
ME502592
-
-
1.2497141
-
2-oxo-docosanoic acid +1.0406001
-
ME503606
-
-
1.0406001
-
2-oxo-docosanoic acid +3.9759285
-
ME502818
-
-
3.9759285
-
2-oxo-docosanoic acid +4.238
-
ME503607
-
-
4.238
-
2-oxo-docosanoic acid +4.595
-
ME505514
-
-
4.595
-
2-oxo-dodecanoic acid
-
ME502479
-
-
1.1426922
-
2-oxo-dodecanoic acid +1.188
-
ME504483
-
-
1.188
-
2-oxo-dodecanoic acid +1.218
-
ME505515
-
-
1.218
-
2-oxo-heneicosanoic acid
-
ME502279
-
-
1.1078436
-
2-oxo-tetradecanoic acid
-
ME503446
-
-
1.2528332
-
2-oxo-tetradecanoic acid +1.1325
-
ME504484
-
-
1.1325
-
2-Pentacosenoic acid, 2,4-dimethyl-
-
ME502500
-
-
1.14196
-
2-Phenylbutyramide
-
ME503608
-
-
5.0096
-
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethyl...
-
ME504485
-
-
9.050501
-
2-propyl-tridecanoic acid
2-Propyl-tridecanoic acid
ME504486
-
-
1.1135
-
2-Pyridylethanol
-
ME504488
-
-
7.7015
-
2-Pyridylethanol +5.4207144
-
ME503307
-
-
5.4207144
-
2-Pyridylethanol +5.8159995
-
ME503308
-
-
5.8159995
-
2-Pyridyl hydroxymethane sulfonic acid
2-Pyridyl hydroxymethane sulfonic acid
ME502859
-
C11327
0.8466924
-
2-Pyridyl hydroxymethane sulfonic acid +1.5120001
2-Pyridyl hydroxymethane sulfonic acid
ME504487
-
C11327
1.5120001
-
(2R)-2-Hydroxy-2-methylbutanenitrile
2-Hydroxy-2-methylbutanenitrile
ME502266
-
C18796
1.8506563
-
(2R)-2-Hydroxy-2-methylbutanenitrile +1.5564287
2-Hydroxy-2-methylbutanenitrile
ME502813
-
C18796
1.5564287
-
(2R)-2-Hydroxy-2-methylbutanenitrile +1.6293334
2-Hydroxy-2-methylbutanenitrile
ME504040
-
C18796
1.6293334
-
(2R)-2-Hydroxy-2-methylbutanenitrile +1.9082668
2-Hydroxy-2-methylbutanenitrile
ME502769
-
C18796
1.9082668
-
(2R)-2-Hydroxy-2-methylbutanenitrile +6.33775
2-Hydroxy-2-methylbutanenitrile
ME503187
-
C18796
6.33775
-
(2R)-2-Hydroxy-2-methylbutanenitrile +6.4586663
2-Hydroxy-2-methylbutanenitrile
ME504041
-
C18796
6.4586663
-
(2R,4S)-2,4-Diaminopentanoate
-
ME504042
-
C03943
2.607
-
2R-aminoheptanoic acid
2R-Aminoheptanoic acid
ME502280
-
-
6.6133432
-
2R-aminoheptanoic acid +1.449
2R-Aminoheptanoic acid
ME505516
-
-
1.449
-
2R-aminoheptanoic acid +1.8225
2R-Aminoheptanoic acid
ME504489
-
-
1.8225
-
2R-aminoheptanoic acid +6.2402
2R-Aminoheptanoic acid
ME503609
-
-
6.2402
-
2R-aminoheptanoic acid +6.4694
2R-Aminoheptanoic acid
ME503011
-
-
6.4694
-
2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid
2R-HpOTrE
ME503787
-
-
1.1702499
-
2R-hydroxy-pentadecanoic acid
-
ME504490
-
-
1.1435001
-
(2S,5S)-trans-Carboxymethylproline
-
ME503188
-
C17366
6.1266246
-
2-Succinylbenzoate
-
ME505517
-
C02730
1.561
-
2-tetracosanamidoethanesulfonic acid
-
ME502736
-
-
1.108375
-
2-tridecene-4,7-diynal
2-Tridecene-4,7-diynal
ME503610
-
-
1.1102
-
2-undecenal
-
ME504491
-
-
1.1435
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid
-
ME502281
-
C11637
1.0395312
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.137
-
ME505528
-
C11637
1.137
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.231
-
ME504497
-
C11637
1.231
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.24415...
-
ME502282
-
C11637
1.2441562
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.527
-
ME505529
-
C11637
1.527
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.68433...
-
ME504084
-
C11637
1.6843333
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.8395
-
ME504498
-
C11637
1.8395
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid
-
ME502860
-
-
1.3361537
-
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid
-
ME503102
-
-
1.325889
-
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +1...
-
ME505530
-
-
1.326
-
3-(1-Carboxyvinyloxy)anthranilate
-
ME504492
-
C19686
1.5395
-
3-(1-Carboxyvinyloxy)anthranilate +2.365
-
ME504493
-
C19686
2.365
-
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-...
-
ME503203
-
C14915
1.336375
-
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-...
-
ME504494
-
C14915
1.0705
-
3,3-Difluoro-5alpha-androstan-17beta-yl acetate
-
ME505519
-
C14477
1.337
-
3,3'-Dimethoxybenzidine
-
ME503788
-
C19231
1.2195
-
3,3-Dimethyl-butanoic acid
-
ME503789
-
-
1.38325
-
3,4,5-Trimethoxybenzoic acid
-
ME503204
-
-
2.459125
-
3,4,5-Trimethoxytoluene
-
ME504082
-
C17822
2.9126666
-
3,4,5-Trimethoxytoluene +2.46
-
ME505520
-
C17822
2.46
-
3,4-Dihydrospheroidenone
-
ME505521
-
-
1.106
-
3,4-Dihydroxy-3,4-dihydro-9-fluorenone
3,4-Dihydroxy-3,4-dihydro-9-fluorenone
ME505522
-
C07722
5.419
-
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-met...
-
ME503310
-
C19417
7.755286
-
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-met...
-
ME505523
-
C19417
1.228
-
3,5,7,2',4',5'-Hexamethoxyflavone
-
ME504495
-
-
1.1935
-
35-aminobacteriohopane-32,33,34-triol
-
ME502959
-
-
4.498728
-
3,5-dichlorosalicylic acid
3,5-Dichlorosalicylicacid
ME505524
-
-
4.077
-
3,5-dichlorosalicylic acid +7.2250004
3,5-Dichlorosalicylicacid
ME504496
-
-
7.2250004
-
3?,5?-Tetrahydronorethindrone glucuronide
-
ME504085
-
-
2.221
-
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid
-
ME503791
-
-
1.336
-
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +1...
-
ME505531
-
-
1.187
-
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +4...
-
ME505532
-
-
4.138
-
3,6-Dideoxy-L-galactose
-
ME505525
-
C03348
6.063
-
3,6-dioxo-decanoic acid
3,6-Dioxo-decanoic acid
ME502737
-
-
1.207625
-
3,6-dioxo-decanoic acid +1.368
3,6-Dioxo-decanoic acid
ME505526
-
-
1.368
-
3,6-dioxo-decanoic acid +6.36
3,6-Dioxo-decanoic acid
ME504083
-
-
6.36
-
3,6-dioxo-decanoic acid +6.77
3,6-Dioxo-decanoic acid
ME503790
-
-
6.77
-
3-(6'-Methylthio)hexylmalic acid
-
ME502401
-
C17227
7.535066
-
3-(6'-Methylthio)hexylmalic acid +1.595
-
ME505518
-
C17227
1.595
-
3-(6'-Methylthio)hexylmalic acid +2.389
-
ME503611
-
C17227
2.389
-
(+)-3,7(11)-Acoradiene
-
ME503582
-
-
4.0362
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid
-
ME503103
-
-
1.448111
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1....
-
ME503311
-
-
1.3784286
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1....
-
ME504086
-
-
1.4499999
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1....
-
ME505533
-
-
1.478
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1....
-
ME502861
-
-
1.4879231
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1....
-
ME505534
-
-
1.518
-
3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid
-
ME503792
-
-
1.8400002
-
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid
-
ME504499
-
-
1.3405
-
3,7,23-Trioxo-5?-cholan-24-oic Acid
-
ME505527
-
-
1.574
-
3-Acetamidopropanal
Acetamidopropanal
ME502960
-
C18170
1.3682727
-
3-Acetamidopropanal +2.0993886
Acetamidopropanal
ME502663
-
C18170
2.0993886
-
3-Acetamidopropanal +2.5709996
Acetamidopropanal
ME502664
-
C18170
2.5709996
-
3-Acetamidopropanal +6.534374
Acetamidopropanal
ME502283
-
C18170
6.534374
-
3-Acetamidopropanal +6.6522503
Acetamidopropanal
ME503793
-
C18170
6.6522503
-
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucu...
-
ME504501
-
C03033
1.4755001
-
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucu...
-
ME505538
-
C03033
6.516
-
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acid
ME504502
-
-
1.3475
-
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5b...
-
ME503012
-
-
6.3043
-
3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-chol...
-
ME502819
-
-
1.3364285
-
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholest...
-
ME503794
-
-
1.482
-
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholest...
-
ME505539
-
-
1.339
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME504503
-
-
1.8599999
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME504504
-
-
2.054
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME505540
-
-
2.199
-
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid
ME505541
-
C12115
7.066
-
3-Aminobenzamide
3-Aminobenzamide
ME503612
-
-
6.2732
-
3-Amino-L-Tyrosine
-
ME504505
-
-
1.7505
-
3-Amino-?-pinene
-
ME503314
-
-
6.4651423
-
3-Aminoquinoline
3-Aminoquinoline
ME505542
-
-
1.985
-
?-3 Arachidonic Acid ethyl ester
-
ME505399
-
-
1.244
-
3-Aza-A-homocholest-4a-en-4-one
-
ME504506
-
C15251
4.2665
-
3beta-Acetoxy-4-oplopanone
-
ME505543
-
-
1.181
-
3-Buten-1-amine
3-Buten-1-amine
ME502738
-
C12244
8.513562
-
3-Buten-1-amine +5.163
3-Buten-1-amine
ME505544
-
C12244
5.163
-
3-Buten-1-amine +5.4347005
3-Buten-1-amine
ME503013
-
C12244
5.4347005
-
3-Buten-1-amine +6.5351114
3-Buten-1-amine
ME503105
-
C12244
6.5351114
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME502820
-
C09921
1.0616429
-
3-Dehydrocarnitine
3-Dehydrocarnitine
ME502368
-
C02636
1.9115804
-
3-Dehydrocarnitine +6.185
3-Dehydrocarnitine
ME503447
-
C02636
6.185
-
3-Dehydrocarnitine +6.4708
3-Dehydrocarnitine
ME503613
-
C02636
6.4708
-
3-Dehydrocarnitine +6.7865
3-Dehydrocarnitine
ME503795
-
C02636
6.7865
-
3-Dehydrocarnitine +6.873667
3-Dehydrocarnitine
ME504088
-
C02636
6.873667
-
3-Deoxy-3-azido-25-hydroxyvitamin D3
-
ME503796
-
-
1.0905
-
3-Deoxyestradiol
3-Deoxyestradiol
ME504507
-
C14239
4.4735003
-
3-Deoxyguanosine
-
ME502773
-
-
3.8767998
-
3-Deoxyvitamin D3
3-Deoxyvitamin D3
ME504508
-
-
0.8315
-
3'-dihydroxyflurbiprofen
-
ME503448
-
-
2.4088333
-
3-Epimacronine
-
ME505545
-
C12178
4.153
-
3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydroc...
-
ME503797
-
-
4.02375
-
3-Guanidinopropanoate
3-Guanidinopropanoic acid
ME504509
-
C03065
7.1935
-
3-Guanidinopropanoate +6.677
3-Guanidinopropanoic acid
ME504089
-
C03065
6.677
-
3-heptenal
-
ME504510
-
-
1.183
-
3-hexenal
3-Hexenal
ME504090
-
-
1.177
-
3-hexenedial
-
ME502643
-
-
1.0810527
-
3-hexenedial +2.2870002
-
ME504511
-
-
2.2870002
-
3-hexenedial +2.3813334
-
ME504091
-
-
2.3813334
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid
-
ME503312
-
-
1.4652857
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.1826...
-
ME502593
-
-
1.1826668
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.239
-
ME505535
-
-
1.239
-
3-Hydroxy-1-indanone
-
ME502821
-
C07720
1.1414286
-
3-Hydroxy-1-indanone +1.078
-
ME505546
-
C07720
1.078
-
3?-Hydroxy-5?-chol-7-en-24-oic Acid
-
ME505536
-
-
1.049
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid
-
ME503104
-
-
1.0053334
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.24...
-
ME502415
-
-
1.2442415
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.24...
-
ME505537
-
-
1.246
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.46...
-
ME504500
-
-
1.467
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.52...
-
ME504087
-
-
1.5216666
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.68...
-
ME503205
-
-
1.6846249
-
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.83...
-
ME503313
-
-
1.8387144
-
3-Hydroxy-5-methylhex-4-enoyl-CoA
-
ME504512
-
C16469
1.014
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME503106
-
C00632
3.1623333
-
3-Hydroxybiphenyl
-
ME504092
-
C14342
5.2753334
-
3-Hydroxybiphenyl +4.5870004
-
ME503315
-
C14342
4.5870004
-
3-hydroxy-dodecanedioic acid
3-Hydroxy-dodecanedioic acid
ME502441
-
-
1.1298572
-
3-hydroxy-dodecanedioic acid +1.1628001
3-Hydroxy-dodecanedioic acid
ME503014
-
-
1.1628001
-
3-hydroxy-dodecanedioic acid +1.497
3-Hydroxy-dodecanedioic acid
ME505547
-
-
1.497
-
3-Hydroxyisovalerylcarnitine
CAR 4:0;OH,Me
ME502703
-
-
1.3442354
-
3-Hydroxyisovalerylcarnitine +1.212
CAR 4:0;OH,Me
ME505548
-
-
1.212
-
3-Hydroxyisovalerylcarnitine +1.3431001
CAR 4:0;OH,Me
ME503015
-
-
1.3431001
-
(+)-3-hydroxy pelargonic acid
-
ME502436
-
-
4.656892
-
(+)-3-hydroxy pelargonic acid +4.8395
-
ME503185
-
-
4.8395
-
3-hydroxy-tetradecanedioic acid
3-Hydroxy-tetradecanedioic acid
ME504513
-
-
6.216
-
3-hydroxy-tridecanoic acid
-
ME504514
-
-
1.177
-
3-Indoleacetic Acid
Indoleacetic acid
ME504515
-
C00954
5.137
-
3-Indolebutyric acid
3-Indolebutyric acid
ME504516
-
C11284
1.245
-
3-Isopropylcatechol
3-Isopropylcatechol
ME502961
-
C01014
1.1702728
-
3-ketosphingosine
3-Ketosphingosine
ME502284
-
C06121
1.2032186
-
3-Methoxyestra-1,3,5(10),16-tetraene
-
ME503615
-
C15107
1.3262
-
3-Methoxyestra-1,3,5(10),16-tetraene +1.501
-
ME505549
-
C15107
1.501
-
3-methoxy Prostaglandin F1?
-
ME503614
-
-
1.0882
-
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-...
-
ME505550
-
C15117
1.337
-
3-Methylamino-1,2-propandiol
-
ME502519
-
-
5.9374175
-
3-Methylamino-1,2-propandiol +6.059719
-
ME502285
-
-
6.059719
-
3-Methylamino-1,2-propandiol +6.5626197
-
ME502594
-
-
6.5626197
-
3-Methylbutanamine
3-Methyl-1-butylamine
ME503107
-
C02640
5.0785556
-
3-Methylbutanamine +4.68
3-Methyl-1-butylamine
ME505551
-
C02640
4.68
-
3-Methylorsellinic Acid
-
ME503016
-
-
6.4679003
-
3-Methylorsellinic Acid +2.2306666
-
ME504093
-
-
2.2306666
-
3-Methylorsellinic Acid +4.6575
-
ME504517
-
-
4.6575
-
3-Methyluridine
3-Methyluridine
ME505552
-
-
3.147
-
3-(N-Nitrosomethylamino)propionitrile
-
ME503309
-
C19280
4.180286
-
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoi...
-
ME503798
-
-
6.73275
-
3-O-Methylisoetharine
-
ME505553
-
-
6.066
-
3-O-Methylrimiterol
-
ME504518
-
-
7.483
-
3-O-Methylrimiterol +6.508
-
ME505554
-
-
6.508
-
3-O-Methylrimiterol +7.7005997
-
ME503616
-
-
7.7005997
-
3-Oxo-5beta-chola-7,11-dien-24-oic Acid
-
ME504519
-
-
1.4070001
-
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.1821666
-
ME502665
-
-
1.1821666
-
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.47975
-
ME503799
-
-
1.47975
-
3-oxohexacosanoic acid
3-Oxohexacosanoic acid
ME505555
-
-
1.118
-
3-oxo-nonanoic acid
-
ME503108
-
-
6.2392225
-
3-oxo-nonanoic acid +4.9768
-
ME503617
-
-
4.9768
-
3-oxo-nonanoic acid +6.1675
-
ME504520
-
-
6.1675
-
3-oxo-nonanoic acid +6.269
-
ME505556
-
-
6.269
-
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime
-
ME504521
-
C15106
1.1565
-
3-oxo-tridecanoic acid
-
ME504522
-
-
1.2695
-
3-Phenylpropionaldoxim
-
ME504094
-
C17236
5.295
-
(3-Phenylpropionyl)glycine methyl ester
-
ME503091
-
-
6.639889
-
3R-hydroxy-tetradecanoic acid
-
ME502774
-
-
1.3156667
-
3R-hydroxy-tetradecanoic acid +1.247
-
ME505557
-
-
1.247
-
3S-hydroxy-dodecanoic acid
-
ME503618
-
-
1.4094
-
3-tert-Butyl-5-methylcatechol
3-tert-Butyl-5-methylcatechol
ME504523
-
C03929
1.4135001
-
3-Vinylbacteriochlorophyllide d
-
ME504524
-
C18157
1.4805
-
(3Z)-Phytochromobilin
-
ME504397
-
C05913
1.0845001
-
(3Z)-Phytochromobilin +1.17
-
ME505393
-
C05913
1.17
-
4-(1-Ethyl-2-phenylbutyl)phenol
-
ME504525
-
C15082
1.185
-
4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid
-
ME504526
-
-
7.105
-
4,4'-Diaminostilbene
-
ME504531
-
C15452
6.368
-
4,4'-Diaminostilbene +6.469
-
ME504532
-
C15452
6.469
-
4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzena...
-
ME505561
-
C15021
1.244
-
4,4'-Sulfonyldiphenol
4,4'-Sulfonyldiphenol
ME505562
-
C14216
5.412
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME502442
-
C13693
6.270179
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +6....
-
ME504097
-
C13693
6.738333
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +7....
-
ME502286
-
C13693
7.599687
-
4,5'-Dimethylangelicin
-
ME505563
-
C19405
3.577
-
4,5'-Dimethylangelicin +3.153
-
ME505564
-
C19405
3.153
-
4,7,10,13,16,19-Docosahexaynoic acid
-
ME505565
-
-
1.244
-
4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME503109
-
-
1.722
-
4,8 dimethylnonanoyl carnitine
-
ME503449
-
-
1.1476666
-
4-Amino-1-piperidinecarboxylic acid
4-Amino-1-piperidinecarboxylic acid
ME504533
-
C16837
6.479
-
4-Amino-2-hydroxylamino-6-nitrotoluene
-
ME505566
-
C16403
6.572
-
4-Amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME502369
-
C04556
1.8916126
-
4-Amino-2-nitrotoluene
-
ME502862
-
C18320
2.044231
-
4-Amino-2-nitrotoluene +2.29125
-
ME503800
-
C18320
2.29125
-
4-Amino-2-nitrotoluene +2.524
-
ME505567
-
C18320
2.524
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline
-
ME505568
-
-
1.116
-
4-Aminobenzenesulfonate
-
ME504534
-
C06335
2.9959998
-
4-Aminomethylindole
-
ME503018
-
-
1.9605001
-
4-Aminomethylindole +1.809
-
ME505569
-
-
1.809
-
4-Aminomethylindole +2.752
-
ME505570
-
-
2.752
-
4-Aminomethylindole +6.156
-
ME505571
-
-
6.156
-
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methy...
-
ME505572
-
-
1.103
-
4-Cumylphenol
4-Cumylphenol
ME504535
-
C14258
1.8455
-
4-(dimethylamino)cinnamaldehyde
-
ME505558
-
-
5.083
-
4-(dimethylamino)cinnamaldehyde +4.675
-
ME505559
-
-
4.675
-
4-Dimethylamino-L-phenylalanine
-
ME503019
-
C18619
6.6341004
-
4-Dimethylamino-L-phenylalanine +4.039667
-
ME503450
-
C18619
4.039667
-
4-Dimethylamino-L-phenylalanine +6.6573753
-
ME503206
-
C18619
6.6573753
-
4-Dimethylamino-L-phenylalanine +6.7469997
-
ME504536
-
C18619
6.7469997
-
4-Dimethylamino-L-phenylalanine +6.7560005
-
ME503801
-
C18619
6.7560005
-
4-Dimethylamino-L-phenylalanine +7.8358746
-
ME503207
-
C18619
7.8358746
-
(4E,8E,10E-d18:3)sphingosine
(4E,8E,10E-d18:3) Sphingosine
ME502458
-
-
1.2138519
-
(4E,8E,10E-d18:3)sphingosine +5.1455
(4E,8E,10E-d18:3) Sphingosine
ME504398
-
-
5.1455
-
(4E,8E,9Me-d19:2)sphingosine
(4E,8E,9Me-d19:2) Sphingosine
ME504399
-
-
5.204
-
4E,9Z-Tetradecadienal
-
ME502480
-
-
1.1400384
-
4E-Tridecenyl acetate
-
ME505573
-
-
1.226
-
4-Fluoroaniline
-
ME502541
-
C11014
1.571565
-
4-Guanidino-1-butanol
-
ME502739
-
C17146
5.4043746
-
4-Guanidino-1-butanol +6.732857
-
ME503316
-
C17146
6.732857
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME502595
-
C14236
1.1398572
-
4-Heptyloxyphenol +1.1393203
4-Heptyloxyphenol
ME502501
-
C14236
1.1393203
-
4-Heptyloxyphenol +1.2421111
4-Heptyloxyphenol
ME503110
-
C14236
1.2421111
-
4-Heptyloxyphenol +1.33
4-Heptyloxyphenol
ME505574
-
C14236
1.33
-
4-Heptyloxyphenol +8.057
4-Heptyloxyphenol
ME505575
-
C14236
8.057
-
4-Hydroxy-2-quinolone
Dihydroxyquinoline
ME503619
-
C16716
1.4394001
-
4-Hydroxy-2-quinolone +1.213
Dihydroxyquinoline
ME504537
-
C16716
1.213
-
4-Hydroxy-2-quinolone +1.6017001
Dihydroxyquinoline
ME503020
-
C16716
1.6017001
-
4-Hydroxy-2-quinolone +1.877
Dihydroxyquinoline
ME505576
-
C16716
1.877
-
4-Hydroxy-2-quinolone +2.329
Dihydroxyquinoline
ME505577
-
C16716
2.329
-
4-Hydroxy-2-quinolone +2.372
Dihydroxyquinoline
ME505578
-
C16716
2.372
-
4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide
-
ME503451
-
-
2.4141667
-
4-Hydroxyfurano[2'',3'':6,7]aurone
-
ME505579
-
-
2.89
-
4-(Hydroxylamino)-N,N-dimethylaniline
4-(Hydroxylamino)-N,N-dimethylaniline
ME505560
-
C19681
3.439
-
4-Hydroxylevamisole Glucuronide
-
ME503021
-
-
0.7152
-
4'-Hydroxyminoxidil
-
ME504538
-
-
1.7014999
-
4-Hydroxyphenylretinamide
-
ME505580
-
-
7.724
-
4'-Hydroxytrimethoprim
-
ME502402
-
-
1.0938333
-
4-Isopropylbenzoic acid
4-Isopropylbenzoic acid
ME503802
-
C06578
1.2615
-
4-keto palmitic acid
-
ME503208
-
-
1.145625
-
4-keto palmitic acid +1.1575
-
ME504539
-
-
1.1575
-
4-keto pentadecanoic acid
-
ME504540
-
-
1.123
-
4-Methoxytyramine
4-Methoxytyramine
ME504541
-
-
2.8235
-
4-Methoxytyramine +6.6496663
4-Methoxytyramine
ME504098
-
-
6.6496663
-
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME504542
-
C04294
1.4155
-
4-Methylaminobutyrate
4-(Methylamino)butyric acid
ME502287
-
C15987
1.5306872
-
4-Methylaminobutyrate +1.7296667
4-(Methylamino)butyric acid
ME504099
-
C15987
1.7296667
-
4-Methylaminobutyrate +6.4024
4-(Methylamino)butyric acid
ME503620
-
C15987
6.4024
-
4-Methylaminobutyrate +6.603
4-(Methylamino)butyric acid
ME505581
-
C15987
6.603
-
4-Methylaminobutyrate +6.781
4-(Methylamino)butyric acid
ME504543
-
C15987
6.781
-
4-Methylhistamine
-
ME504544
-
C17929
5.8444996
-
4-Methylhistamine +7.272
-
ME505582
-
C17929
7.272
-
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-bu...
-
ME502822
-
C19602
4.029357
-
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-bu...
-
ME504527
-
C19602
7.8585
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME504095
-
C19603
6.64
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME504096
-
C19603
1.8389999
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME504528
-
C19603
7.8310003
-
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-buta...
NNAL-N-oxide
ME504529
-
C19603
8.451
-
4-Naphthalimidobutyric Acid
-
ME505583
-
-
1.451
-
4-Nitroestrone
-
ME505584
-
C15362
6.215
-
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone
-
ME504530
-
C19564
7.902
-
4-Nitrotoluene
-
ME503111
-
C14394
8.353222
-
4-Nitrotoluene +1.788
-
ME505585
-
C14394
1.788
-
4-Nitrotoluene +6.6433334
-
ME504100
-
C14394
6.6433334
-
4-octenal
-
ME503621
-
-
1.1976
-
4-octenal +1.145
-
ME505586
-
-
1.145
-
(4OH,8Z,t18:1) sphingosine
-
ME503759
-
-
1.33725
-
(4OH,8Z,t18:1) sphingosine +1.29
-
ME505394
-
-
1.29
-
4-Oxo-1-(3-pyridyl)-1-butanone
-
ME503803
-
C19567
1.4430001
-
4-Oxo-1-(3-pyridyl)-1-butanone +2.414
-
ME505587
-
C19567
2.414
-
4-Oxo-1-(3-pyridyl)-1-butanone +3.581
-
ME505588
-
C19567
3.581
-
4-oxo capric acid
-
ME503622
-
-
1.1968
-
4-Oxovalproic acid
-
ME502481
-
C16655
5.2041163
-
4-Oxovalproic acid +6.3677998
-
ME502775
-
C16655
6.3677998
-
4-Oxovalproic acid +6.5709996
-
ME504101
-
C16655
6.5709996
-
4-Oxovalproic acid +7.7280765
-
ME502863
-
C16655
7.7280765
-
4-PIOL
-
ME503022
-
C13710
1.9552
-
4-PIOL +7.76625
-
ME503804
-
C13710
7.76625
-
4-PIOL +7.914
-
ME505589
-
C13710
7.914
-
4S,5S-antillatoxin A
-
ME505590
-
-
4.187
-
4-Sulfobenzyl alcohol
-
ME505591
-
C06678
1.604
-
4-tert-Octylphenol
-
ME503805
-
C14205
1.19575
-
4-tert-Octylphenol +5.1075
-
ME504545
-
C14205
5.1075
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME502540
-
C04114
6.9793043
-
4-(Trimethylammonio)but-2-enoate +6.1977997
(E)-4-(Trimethylammonio)but-2-enoate
ME503017
-
C04114
6.1977997
-
4-(Trimethylammonio)but-2-enoate +6.6723886
(E)-4-(Trimethylammonio)but-2-enoate
ME502666
-
C04114
6.6723886
-
4-Vinylcyclohexene
-
ME502704
-
C19310
1.1489999
-
4-Vinylcyclohexene +1.104
-
ME505592
-
C19310
1.104
-
4-Vinylcyclohexene +1.3033333
-
ME503112
-
C19310
1.3033333
-
4Z-tetradecenoic acid
-
ME503623
-
-
1.0866001
-
4Z-tetradecenoic acid +1.25875
-
ME503806
-
-
1.25875
-
4Z-tetradecenoic acid +1.3352499
-
ME503807
-
-
1.3352499
-
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin
-
ME503808
-
-
2.053
-
54:3 SLBPA
-
ME505596
-
-
5.697
-
5(6)-EpETrE-EA
5(6)-EpETrE-EA
ME502962
-
-
1.5130908
-
5,7,3',4',5'-Pentahydroxyflavanone
-
ME504546
-
-
1.472
-
5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylf...
-
ME504547
-
-
1.3525
-
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
-
ME504102
-
-
1.5486666
-
5-Acetamidovalerate
5-Acetamidovaleric acid
ME504548
-
-
2.9555001
-
5-Acetamidovalerate +1.913
5-Acetamidovaleric acid
ME505597
-
-
1.913
-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide
5-Amino-1-Ribofuranosylimidazole-4-carboxyamide
ME502823
-
C04663
1.0512141
-
5?-Androstan-3?,17?-Diol
-
ME502740
-
-
1.081375
-
5-Azacytidine
Azacitidine
ME503318
-
-
1.8094286
-
5beta-Chola-3,8(14),11-trien-24-oic Acid
-
ME502963
-
-
1.0463636
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.005
-
ME504549
-
-
1.005
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.244148...
-
ME502461
-
-
1.2441483
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.5235
-
ME504550
-
-
1.5235
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.688125
-
ME503209
-
-
1.688125
-
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.838166...
-
ME503452
-
-
1.8381667
-
5?-Cholane-3?,6?,24-triol
-
ME505593
-
-
1.062
-
5?-Cholestane-3?,7?,25,26-tetrol
-
ME505594
-
-
1.057
-
5?-Cyprinolsulfate
-
ME503317
-
C05468
5.0187144
-
5?-Cyprinolsulfate +1.353
-
ME505595
-
C05468
1.353
-
5'-Deoxy-5'-fluoroadenosine
5'-Deoxy-5'-fluoroadenosine
ME505598
-
C19766
6.545
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME503210
-
-
7.2279997
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME503113
-
-
7.284889
-
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...
-
ME503809
-
-
5.684
-
5-Hydroxy-3,4-dihydrocarbostyryl
-
ME504103
-
-
3.3633335
-
5-Hydroxy-3,4-dihydrocarbostyryl +1.246
-
ME505599
-
-
1.246
-
5-Hydroxy-3,4-dihydrocarbostyryl +2.95
-
ME505600
-
-
2.95
-
5-Hydroxy-3,4-dihydrocarbostyryl +3.5035
-
ME503453
-
-
3.5035
-
5-Hydroxybuspirone
-
ME505601
-
-
1.516
-
5-Hydroxydopamine
5-Hydroxydopamine
ME502567
-
-
6.2821364
-
5-Hydroxydopamine +2.564
5-Hydroxydopamine
ME505602
-
-
2.564
-
5-Hydroxydopamine +2.883
5-Hydroxydopamine
ME504551
-
-
2.883
-
5-Hydroxydopamine +6.352667
5-Hydroxydopamine
ME504104
-
-
6.352667
-
5-Hydroxydopamine +6.5967503
5-Hydroxydopamine
ME503810
-
-
6.5967503
-
5-Hydroxyectoine
5-Hydroxyectoine
ME502568
-
C16432
7.607454
-
5-Hydroxyectoine +7.287
5-Hydroxyectoine
ME505603
-
C16432
7.287
-
5-Hydroxyectoine +7.6464996
5-Hydroxyectoine
ME504552
-
C16432
7.6464996
-
5-Hydroxyectoine +7.736
5-Hydroxyectoine
ME505604
-
C16432
7.736
-
5-Hydroxyindol-2-carboxylic acid
-
ME504105
-
-
2.2193334
-
5-Hydroxymethylcimetidine
-
ME504553
-
-
1.1695
-
5-Methoxytryptophan
5-Methoxytryptophan
ME502667
-
-
1.572
-
5-methyl-octadecanoic acid
-
ME504106
-
-
4.3059998
-
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME504554
-
C17245
8.0755005
-
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]
NPPB
ME504555
-
C13705
2.9345
-
(5-Phenyl-1,2,4-triazol-3-yl)urea
-
ME502814
-
C15383
3.3444288
-
5-Phenyl-1,3-oxazinane-2,4-dione
-
ME504107
-
C16596
1.5209999
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME504386
-
C04875
4.6275
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME505383
-
C04875
4.696
-
5-trans U-44069
-
ME504556
-
-
1.12
-
5Z,9Z-hexadecadienoic acid
-
ME505605
-
-
1.079
-
5Z,9Z-Tridecadienyl acetate
-
ME502443
-
-
1.1406786
-
5Z,9Z-Tridecadienyl acetate +1.1930001
-
ME503811
-
-
1.1930001
-
6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-...
-
ME504557
-
C14902
1.1984999
-
6-[5]-ladderane-1-hexanol
-
ME505610
-
-
1.101
-
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Aci...
6,7-Dichloro-3-hydroxy-2-quinoxalinecarboxylicacid
ME504108
-
-
2.8153334
-
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Aci...
6,7-Dichloro-3-hydroxy-2-quinoxalinecarboxylicacid
ME505608
-
-
2.924
-
6,7-Dimethyltetrahydropterin
-
ME505609
-
-
1.274
-
6,8-Dihydroxypurine
6,8-Dihydroxypurine
ME502644
-
-
1.981
-
6-(Allylthio)purine
-
ME505606
-
C15348
6.458
-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
-
ME503812
-
C15658
2.6295
-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol +3.233
-
ME505607
-
C15658
3.233
-
6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione ace...
-
ME505611
-
C15310
1.206
-
6-Benzylaminopurine
Cytokinin B
ME504559
-
C11263
7.328
-
6-Benzylaminopurine +6.399
Cytokinin B
ME505612
-
C11263
6.399
-
6-Benzylaminopurine +6.44
Cytokinin B
ME505613
-
C11263
6.44
-
6-bromo-5,9-hexacosadienoic acid
-
ME504560
-
-
3.817
-
6-bromo-5,9-hexacosadienoic acid +4.328
-
ME505614
-
-
4.328
-
6-bromo-5,9-hexacosadienoic acid +4.4300003
-
ME504561
-
-
4.4300003
-
6-Dimethylaminopurine
6-Dimethylaminopurine
ME505615
-
-
6.073
-
6-Dimethylaminopurine +6.2795
6-Dimethylaminopurine
ME504562
-
-
6.2795
-
6E-Dodecen-1-ol
-
ME502705
-
-
4.6967053
-
6E-Dodecen-1-ol +4.278
-
ME504563
-
-
4.278
-
6E-nonenoic acid
-
ME503624
-
-
1.162
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol
-
ME502589
-
C04166
1.1724287
-
6-hydroxy caproic acid
6-Hydroxycaproic acid
ME504110
-
C06103
1.7133332
-
6?-Hydroxy-castasterone
6alpha-Hydroxycastasterone
ME504558
-
C15803
1.0834999
-
6-Hydroxyindolelactate
-
ME504111
-
C05657
3.7293332
-
6-Hydroxyindolelactate +1.861
-
ME503813
-
C05657
1.861
-
6'?-Hydroxylovastatin
-
ME504109
-
-
6.054333
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate
-
ME502706
-
C04584
1.327647
-
6-Methylpretetramide
6-Methylpretetramide
ME505616
-
C06629
6.183
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME502741
-
-
2.784
-
6-nonenal
-
ME502622
-
-
1.1699
-
6-nonenal +1.1750001
-
ME504112
-
-
1.1750001
-
6-nonenal +1.763
-
ME505617
-
-
1.763
-
6-nonenal +5.1619997
-
ME504564
-
-
5.1619997
-
6-O-Methylguanine
-
ME502776
-
-
3.8748665
-
6-Oxocineole
6-Oxocineole
ME503211
-
C00848
1.14525
-
6-Oxocineole +1.26005
6-Oxocineole
ME502623
-
C00848
1.26005
-
6-Oxocineole +1.415
6-Oxocineole
ME505618
-
C00848
1.415
-
6-piperazin-1-yl-Isoquinoline
-
ME504565
-
-
8.2435
-
6-piperazin-1-yl-Isoquinoline +8.097
-
ME505619
-
-
8.097
-
6-Sialyl-N-acetyllactosamine
-
ME503814
-
-
1.4389999
-
6Z-hexadecenoic acid
Sapienic acid
ME504113
-
-
1.0953335
-
7,12-Dimethylbenz[a]anthracene
-
ME504567
-
C19488
5.2095
-
7-(3-Methylbut-2-enyl)-L-tryptophan
-
ME505620
-
C19767
2.097
-
7-(3-Methylbut-2-enyl)-L-tryptophan +2.097
-
ME505621
-
C19767
2.097
-
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME503815
-
C01037
9.892
-
7,8-Diaminononanoate +6.031
7,8-Diaminononanoic acid
ME505622
-
C01037
6.031
-
7,8-Dihydro-14-hydroxynormorphine
-
ME504114
-
-
2.2299998
-
7a-Ethynylestradiol 3-glucuronide
-
ME504569
-
-
1.26
-
7a-Ethynylestradiol 3-glucuronide +1.4805
-
ME504570
-
-
1.4805
-
7alpha-Hydroxytestololactone
-
ME502864
-
C15351
1.1817693
-
7alpha-Hydroxytestololactone +1.532
-
ME505623
-
C15351
1.532
-
7alpha-Hydroxytestololactone +6.308
-
ME505624
-
C15351
6.308
-
(+)-7beta-Hydroxy-15-beyeren-19-oic acid
-
ME503426
-
-
1.3398334
-
7-Deacetylkhivorin
-
ME504571
-
-
1.4595001
-
7H-Dibenzo[c,g]carbazole
-
ME505625
-
C19221
4.186
-
7H-Dibenzo[c,g]carbazole +7.6464996
-
ME504572
-
C19221
7.6464996
-
7?-Hydroxy-7-Desacetoxykhivorinic Acid, Methyl Est...
-
ME504568
-
-
6.2335
-
7-Hydroxytacrine
-
ME505626
-
-
3.042
-
7-Hydroxytrifluoperazine glucuronide
-
ME504573
-
-
1.9035
-
7-Hydroxytrifluoperazine glucuronide +2.5405002
-
ME504574
-
-
2.5405002
-
7-Hydroxytrifluoperazine glucuronide +3.257
-
ME504575
-
-
3.257
-
7-Mercaptoheptanoylthreonine
-
ME505627
-
C16594
1.272
-
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1...
-
ME504576
-
C15060
1.6315
-
7-Methylthioheptanaldoxime
7-Methylthioheptanaldoxime
ME502542
-
C17249
1.6636958
-
7-Methylxanthine
7-Methylxanthine
ME503114
-
C16353
1.7017777
-
7-Methylxanthine +2.0888
7-Methylxanthine
ME503625
-
C16353
2.0888
-
7-Methylxanthine +3.2965002
7-Methylxanthine
ME504577
-
C16353
3.2965002
-
7-Methylxanthine +3.3950768
7-Methylxanthine
ME502865
-
C16353
3.3950768
-
7-nonynoic acid
-
ME502645
-
-
1.1783159
-
7-nonynoic acid +1.3032776
-
ME502668
-
-
1.3032776
-
7-nonynoic acid +1.342
-
ME505628
-
-
1.342
-
7-octenoic acid
-
ME504115
-
-
1.2376667
-
7-Oxoheptanoic acid
-
ME502462
-
C16590
7.7236304
-
7-Oxoheptanoic acid +6.545166
-
ME502669
-
C16590
6.545166
-
7-Oxoheptanoic acid +6.91475
-
ME503816
-
C16590
6.91475
-
7-Oxoheptanoic acid +7.3506665
-
ME503454
-
C16590
7.3506665
-
7-Oxoheptanoic acid +8.1285
-
ME504578
-
C16590
8.1285
-
7-Sulfocholic acid
7-Sulfocholic acid
ME503319
-
-
1.7782857
-
7-Tridecenoic acid; C13:1n-6
-
ME503023
-
-
1.2373002
-
7-Tridecenoic acid; C13:1n-6 +1.0925
-
ME503817
-
-
1.0925
-
7Z,10Z,13Z-docosatrienoic acid
-
ME505629
-
-
1.256
-
7Z-hexadecen-1-ol
-
ME502624
-
-
4.1052003
-
7(Z)-Pentacosene
-
ME502520
-
-
3.9925416
-
7(Z)-Tricosene
-
ME504566
-
-
4.024
-
8,11,14-Nonadecatriynoic acid
-
ME503115
-
-
1.1145556
-
8-(5-hexyl-furan-2-yl)-octanoic acid
-
ME503626
-
C13798
1.2878001
-
8-(5-hexyl-furan-2-yl)-octanoic acid +1.164
-
ME505630
-
C13798
1.164
-
8,9-dihydroxy-5,11,14-eicosatrienoic acid
-
ME505631
-
-
1.085
-
8,9-dihydroxy-5,11,14-eicosatrienoic acid +1.143
-
ME504579
-
-
1.143
-
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(b...
-
ME503024
-
-
6.3569
-
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(b...
-
ME505633
-
-
6.321
-
8-D-Olivosyl-landomycin
-
ME505634
-
C18778
5.549
-
8-D-Olivosyl-landomycin +5.608
-
ME505635
-
C18778
5.608
-
8E,10E-Pentadecadienyl acetate
-
ME504580
-
-
1.1205
-
8E-Heptadecenedioic acid
8E-Heptadecenedioic acid
ME504581
-
-
1.123
-
8-Epiiridotrial glucoside
8-Epiiridotrial glucoside
ME503455
-
C11652
1.0958334
-
8?-estra-1,3,5(10)-trien-3,17?-diol
-
ME505632
-
-
7.897
-
(±)8-gingerol
-
ME502398
-
-
1.1179334
-
(±)8-gingerol +1.158
-
ME505384
-
-
1.158
-
8-Hydroxy-7-methylguanine
8-Hydroxy-7-methylguanine
ME503320
-
-
2.9688573
-
8-Hydroxyadenine
8-Hydroxyadenine
ME502742
-
-
3.8728752
-
8-Hydroxyadenine +2.9486666
8-Hydroxyadenine
ME503456
-
-
2.9486666
-
8-Hydroxyadenine +3.9255457
8-Hydroxyadenine
ME502964
-
-
3.9255457
-
8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside)
-
ME503321
-
-
1.0318571
-
8?-Hydroxycarapin, 3,8-Hemiacetal
-
ME503627
-
-
6.0582
-
8-Hydroxyguanosine
8-Hydroxyguanosine
ME502866
-
-
1.045077
-
8-Isoquinoline methanamine
-
ME503322
-
-
1.6639998
-
8-methoxy-13-hydroxy-9,11-octadecadienoic acid
8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
ME505636
-
-
1.106
-
8-methylcaffeine
-
ME502543
-
-
6.060043
-
8-methylcaffeine +1.694
-
ME505637
-
-
1.694
-
8-methylcaffeine +1.7191664
-
ME503457
-
-
1.7191664
-
8-methylcaffeine +6.0638576
-
ME503323
-
-
6.0638576
-
8-oxo-9,11-octadecadiynoic acid
-
ME505638
-
-
1.118
-
8-Prenyllepidissipyrone
-
ME504582
-
-
1.8415
-
8-tridecynoic acid
-
ME502625
-
-
1.17295
-
8-tridecynoic acid +1.129
-
ME504583
-
-
1.129
-
8-tridecynoic acid +6.5343337
-
ME504116
-
-
6.5343337
-
8Z-heptadecenoic acid
8Z-Heptadecenoic acid
ME503212
-
-
1.0825
-
8Z-heptadecenoic acid +1.202
8Z-Heptadecenoic acid
ME505639
-
-
1.202
-
8Z-heptadecenoic acid +6.959
8Z-Heptadecenoic acid
ME505640
-
-
6.959
-
8Z-undecenoic acid
-
ME503818
-
-
1.29375
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid
-
ME502903
-
C14834
1.1166667
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid +1.2173...
-
ME502707
-
C14834
1.2173529
-
9,10-epoxy-13-oxo-11-octadecenoic acid
-
ME503819
-
-
1.3752501
-
9,10-epoxy-13-oxo-11-octadecenoic acid +1.129
-
ME503820
-
-
1.129
-
9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,...
-
ME504117
-
-
1.849
-
9,11-Octadecadiynoic acid, 8-oxo-
-
ME504584
-
-
1.3915
-
9,12-dioxo-dodecanoic acid
9,12-Dioxo-dodecanoic acid
ME502288
-
-
1.2618126
-
9,12-dioxo-dodecanoic acid +1.174
9,12-Dioxo-dodecanoic acid
ME504585
-
-
1.174
-
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
-
ME503458
-
-
1.1801666
-
9-amino-nonanoic acid
9-Aminononanoic acid
ME505641
-
-
6.054
-
9-amino-nonanoic acid +4.134
9-Aminononanoic acid
ME505642
-
-
4.134
-
9-amino-nonanoic acid +4.45
9-Aminononanoic acid
ME504586
-
-
4.45
-
9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-...
-
ME503821
-
C15400
1.3314999
-
9E,11-Dodecadienal
-
ME502708
-
-
1.1404706
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid
-
ME502743
-
-
1.3774376
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME505643
-
-
1.503
-
9-hydroxy-16-oxo-hexadecanoic acid
-
ME503822
-
-
1.13325
-
9-Nitrooleate
9-Nitrooleic acid
ME504587
-
-
5.8315
-
9-O-Demethyl-2alpha-hydroxyhomolycorine
-
ME504118
-
C12239
6.2520003
-
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.349
-
ME505644
-
C12239
1.349
-
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.591
-
ME505645
-
C12239
1.591
-
9-O-Demethyl-2alpha-hydroxyhomolycorine +3.184
-
ME504588
-
C12239
3.184
-
9-OxoOTrE
-
ME503213
-
-
1.1088749
-
9R,10S,18-trihydroxy-stearic acid
-
ME503116
-
-
1.3327777
-
(9R,13R)-1a,1b-dihomo-jasmonic acid
-
ME504043
-
-
6.9606667
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME502867
-
-
1.3430002
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +1.216...
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME504589
-
-
1.2165
-
9-tridecynoic acid
-
ME502868
-
-
1.2289231
-
9-undecynoic acid
-
ME502965
-
-
1.2131819
-
9-undecynoic acid +1.155
-
ME504590
-
-
1.155
-
9Z,12E,15Z-octadecatrienoic acid
-
ME502709
-
-
1.0987647
-
9Z,12E,15Z-octadecatrienoic acid +1.1836667
-
ME504119
-
-
1.1836667
-
9Z,12E,15Z-octadecatrienoic acid +1.33575
-
ME503823
-
-
1.33575
-
9Z-Heptadecenal
-
ME503459
-
-
1.0836667
-
9Z-Octadecene-12,14-diynoic acid
-
ME505646
-
-
1.573
-
a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol
-
ME504120
-
-
4.307667
-
a-[1-(ethylamino)ethyl]-p-hydroxy-Benzyl alcohol
-
ME504592
-
-
6.685
-
A 80987
-
ME505647
-
C15661
2.414
-
A 80987 +1.0995
-
ME504591
-
C15661
1.0995
-
Acarbose (M8)
-
ME504593
-
-
2.363
-
Acebutolol
Acebutolol
ME503214
-
C06803
1.4185
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME503824
-
C02659
2.101
-
Acetone cyanohydrin +6.703
2-Hydroxy-2-methylpropanenitrile
ME505648
-
C02659
6.703
-
Acetophenazine
Acetophenazine
ME502289
-
C06807
7.3440633
-
Acetyl-11-keto-B-Boswellic Acid, 3-
-
ME505649
-
-
4.375
-
Acetylagmatine
Acetylagmatine
ME503825
-
C02131
6.92375
-
Acetylcholine
Acetylcholine
ME502290
-
C01996
7.4620314
-
Acetylenic acids
-
ME505650
-
-
6.314
-
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-...
-
ME502596
-
-
1.0921905
-
Acetyleugenol
-
ME503826
-
C14567
1.5692501
-
Acetylpseudotropine
-
ME505651
-
C12453
4.663
-
Acexamic Acid
-
ME502869
-
-
7.4764614
-
Acexamic Acid +7.4985
-
ME504594
-
-
7.4985
-
Acrylamide
Acrylamide
ME505652
-
C01659
1.882
-
Actinidine
Actinidine
ME504595
-
C09910
3.8270001
-
Ac-Tyr-OEt
N-Acetyltyrosine
ME504121
-
C01657
1.5813333
-
Ac-Tyr-OEt +5.34
N-Acetyltyrosine
ME504596
-
C01657
5.34
-
Ac-Tyr-OEt +6.5769997
N-Acetyltyrosine
ME504122
-
C01657
6.5769997
-
Ac-Tyr-OEt +6.7226663
N-Acetyltyrosine
ME504123
-
C01657
6.7226663
-
Adenine
Adenine
ME502870
-
C00147
3.6050768
-
Aeroplysinin 1
-
ME504124
-
C17099
6.066667
-
AG-99
-
ME503628
-
-
2.9397998
-
AG-99 +3.261
-
ME505653
-
-
3.261
-
Agavegenin A
-
ME504597
-
-
1.346
-
AGC
-
ME502569
-
-
1.5711815
-
Agecorynin D
-
ME504125
-
-
2.9140003
-
Agomelatine
Agomelatine
ME504598
-
-
4.6385
-
Aknadicine
Aknadicine
ME503827
-
C09325
1.3425
-
AL 8810 ethyl amide
-
ME505654
-
-
1.266
-
Ala Asn Asn
Ala-Asn-Asn
ME503025
-
-
1.5733001
-
Ala Ile Ile
Ala-Ile-Ile
ME504599
-
-
6.0690002
-
Alanopine
-
ME505656
-
C03210
2.462
-
?-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME505400
-
C05340
7.778
-
?-Alanyl-L-arginine +7.9485
beta-Alanyl-L-arginine
ME504404
-
C05340
7.9485
-
Ala Pro
Ala-Pro
ME503324
-
-
6.2761426
-
Ala Pro +7.4105997
Ala-Pro
ME503629
-
-
7.4105997
-
Ala Trp
Ala-Trp
ME505655
-
-
5.073
-
Ala Trp Ala
Ala-Trp-Ala
ME504600
-
-
1.3175
-
Ala Trp Glu
Ala-Trp-Glu
ME504601
-
-
5.773
-
albendazole sulfone
-
ME504602
-
C02809
4.9884996
-
Albomaculine
-
ME503828
-
C08515
6.389
-
Allopumiliotoxin 267A
-
ME503026
-
C20034
1.2371001
-
Allopumiliotoxin 267A +5.434
-
ME504603
-
C20034
5.434
-
Allopumiliotoxin 267A +5.5225
-
ME504604
-
C20034
5.5225
-
allopurinol
Allopurinol
ME502291
-
C06816
2.784438
-
allopurinol +3.0236669
Allopurinol
ME502403
-
C06816
3.0236669
-
allopurinol +3.156
Allopurinol
ME503829
-
C06816
3.156
-
all-trans-Dehydroretinal
All-trans-dehydroretinal
ME503117
-
C05918
1.268
-
all-trans-hexaprenyl diphosphate
-
ME502966
-
C01230
3.944818
-
all-trans-hexaprenyl diphosphate +4.4986877
-
ME502744
-
C01230
4.4986877
-
all-trans-hexaprenyl diphosphate +4.5815387
-
ME502482
-
C01230
4.5815387
-
all-trans-hexaprenyl diphosphate +5.21775
-
ME503830
-
C01230
5.21775
-
Allyl chloride
-
ME504605
-
C19316
7.701
-
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol
-
ME503831
-
C19581
6.26425
-
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone
-
ME503027
-
-
1.1141
-
alpha-Amylcinnamaldehyde
-
ME503832
-
C12288
2.041
-
alpha-Methylstyrene
-
ME502670
-
C14395
1.1353889
-
alpha-Methylstyrene +1.095
-
ME505657
-
C14395
1.095
-
alpha-Methylstyrene +7.186
-
ME505658
-
C14395
7.186
-
alpha-Sanshool
-
ME504606
-
C17091
3.824
-
Alpinine
Alpinine
ME504607
-
C09331
4.6235
-
Amdinocillin
-
ME504608
-
-
7.736
-
Amino acid(Arg-)
-
ME503215
-
C02385
8.65275
-
Amino acid(Arg-) +6.28
-
ME505659
-
C02385
6.28
-
Amino acid(Arg-) +8.681333
-
ME504126
-
C02385
8.681333
-
aminocaproic acid
Aminocaproic acid
ME502871
-
C02378
6.0319223
-
aminocaproic acid +1.2785
Aminocaproic acid
ME503460
-
C02378
1.2785
-
aminocaproic acid +4.5415
Aminocaproic acid
ME504609
-
C02378
4.5415
-
aminocaproic acid +6.4613338
Aminocaproic acid
ME502904
-
C02378
6.4613338
-
aminocaproic acid +6.903
Aminocaproic acid
ME505660
-
C02378
6.903
-
AminoDHQ
AminoDHQ
ME503461
-
C12109
6.067
-
aminohippuric acid
Aminohippuric acid
ME504127
-
-
7.9583335
-
Amiprilose
-
ME504610
-
-
1.4235001
-
Amiprilose +1.0855
-
ME504611
-
-
1.0855
-
Ammodendrine
Ammodendrine
ME503630
-
C10125
6.6704
-
Ammodendrine +6.370333
Ammodendrine
ME504128
-
C10125
6.370333
-
Ammodendrine +6.915
Ammodendrine
ME504612
-
C10125
6.915
-
Ammodendrine +7.22
Ammodendrine
ME503028
-
C10125
7.22
-
Ampicilloic acid
-
ME505661
-
-
1.057
-
AM-toxin I
-
ME504613
-
C16786
1.879
-
AM-toxin I +1.843
-
ME505662
-
C16786
1.843
-
AM-toxin I +6.5865
-
ME504614
-
C16786
6.5865
-
Anandamide (20:2, n-6)
Eicosadienoyl-EA
ME502824
-
-
1.1077143
-
Anandamide (20:2, n-6) +1.1666154
Eicosadienoyl-EA
ME502483
-
-
1.1666154
-
Anandamide (20:2, n-6) +1.2969999
Eicosadienoyl-EA
ME504615
-
-
1.2969999
-
Anandamide (20:l, n-9)
11Z-Eicosaenoyl-EA
ME505663
-
-
1.248
-
Anapheline
Anapheline
ME504129
-
C06183
1.1876668
-
Anastrozole
Anastrozole
ME503833
-
C08159
6.55825
-
Angolensic Acid, Methyl Ester
-
ME504616
-
-
1.0044999
-
Anhalonidine
-
ME503631
-
C16704
6.5648003
-
Anhalonidine +1.574
-
ME505664
-
C16704
1.574
-
Anhalonidine +2.08
-
ME505665
-
C16704
2.08
-
Anhalonidine +4.718778
-
ME503118
-
C16704
4.718778
-
Anhalonidine +6.065
-
ME504617
-
C16704
6.065
-
Anhalonidine +6.218
-
ME505666
-
C16704
6.218
-
Anopterine
Anopterine
ME503216
-
C08658
1.059
-
A-Norpregn-3(5)-ene-2,20-dione
-
ME502967
-
C15263
1.1511818
-
A-Norpregn-3(5)-ene-2,20-dione +1.341
-
ME503632
-
C15263
1.341
-
Ansamitocin P3
Ansamitocin P3
ME504618
-
C12045
1.246
-
anteiso (4E,14-methyl-d16:1) sphingosine
-
ME505667
-
-
4.328
-
anteiso (4E,14-methyl-d16:1) sphingosine +1.075
-
ME505668
-
-
1.075
-
Anthopleurine
-
ME503462
-
C16994
6.625
-
Anthranilic acid
2-Aminobenzoic acid
ME503325
-
C00108
1.7244285
-
Anthranilic acid +5.6640005
2-Aminobenzoic acid
ME503834
-
C00108
5.6640005
-
Anthranilic acid +6.9264164
2-Aminobenzoic acid
ME502905
-
C00108
6.9264164
-
Antibiotic JI-20A
-
ME505669
-
C17704
2.603
-
Antimony tartrate
-
ME505670
-
C11340
6.626
-
Apigenin 7-rhamnosyl-(1-6)-(4''-E-p-methoxycinnamo...
-
ME502416
-
-
1.0184138
-
Aprobarbital
Aprobarbital
ME503119
-
C07826
1.8926667
-
Arabinosylhypoxanthine
-
ME502370
-
-
3.0100007
-
Arborinine
Arborinine
ME502626
-
C10643
1.2205
-
Arborinine +1.8623333
Arborinine
ME504130
-
C10643
1.8623333
-
Arborinine +1.935
Arborinine
ME505671
-
C10643
1.935
-
Arbutin
Arbutin
ME503326
-
C06186
1.6527141
-
Arctiopicrin
-
ME505672
-
C09297
1.856
-
Arecaidine
Arecaidine
ME505673
-
C10128
7.282
-
Arecoline
Arecoline
ME503835
-
C10129
1.4455
-
Arene oxide
-
ME503120
-
C01782
1.260778
-
Arene oxide +8.076
-
ME504619
-
C01782
8.076
-
Arg Asp Lys
Arg-Asp-Lys
ME503121
-
-
1.1096667
-
Arg Gln Arg
Arg-Gln-Arg
ME504620
-
-
4.29
-
Arg Gly Cys
Arg-Gly-Cys
ME505674
-
-
1.495
-
Argininic acid
Argininic acid
ME503217
-
-
7.5978756
-
Arg Leu Arg
Arg-Leu-Arg
ME505675
-
-
1.404
-
Arg Leu Ile
Arg-Leu-Ile
ME505676
-
-
1.047
-
Arg Met Cys
Arg-Met-Cys
ME504621
-
-
1.492
-
Arg-OEt
Ethyl arginate
ME504624
-
C01404
8.868
-
Arg Phe
Arg-Phe
ME505677
-
-
1.092
-
Arg Pro Arg
Arg-Pro-Arg
ME505678
-
-
1.428
-
Arg Pro Gly
Arg-Pro-Gly
ME505679
-
-
1.089
-
Arg Trp Trp
Arg-Trp-Trp
ME504622
-
-
1.2390001
-
Arg Trp Trp +1.241
Arg-Trp-Trp
ME504623
-
-
1.241
-
Artoindonesianin B
-
ME503122
-
-
4.670333
-
(-)-AS 115
-
ME504382
-
-
1.507
-
(-)-Asbestinine 2
-
ME503581
-
-
1.3288
-
Ascidiacyclamide
-
ME502292
-
C15738
1.036406
-
Asn Arg His
Asn-Arg-His
ME503836
-
-
7.046
-
Asp Ala His
Asp-Ala-His
ME505680
-
-
3.771
-
Asp Ala His +3.404
Asp-Ala-His
ME505681
-
-
3.404
-
Aspidinol
Aspidinol
ME504626
-
C10673
1.521
-
Asp Val Ser
Asp-Val-Ser
ME504625
-
-
1.6345
-
Athamantin
Athamantin
ME505682
-
C09123
1.122
-
(+)-Atherospermoline
-
ME505381
-
C11141
1.246
-
Atorvastatin
Atorvastatin
ME503218
-
C06834
1.689625
-
Atorvastatin +1.8387501
Atorvastatin
ME503837
-
C06834
1.8387501
-
Atorvastatin Metabolite(meta)
-
ME502544
-
-
1.3374346
-
Atracurium (Quaternary monoacrylate)
-
ME505683
-
-
1.507
-
Atraton
-
ME502777
-
C19098
6.6391344
-
Atraton +6.509
-
ME504627
-
C19098
6.509
-
Atropaldehyde
-
ME504131
-
C16592
1.572
-
Atropine
(R)-Atropine
ME505684
-
C01479
4.539
-
Auriculasin
-
ME504628
-
-
1.433
-
Avermectin A1a monosaccharide
Avermectin A1a
ME504132
-
C11982
7.868
-
Avermectin A1a monosaccharide +1.681
Avermectin A1a
ME505685
-
C11982
1.681
-
Avermectin A1a monosaccharide +1.798
Avermectin A1a
ME505686
-
C11982
1.798
-
Avermectin A1a monosaccharide +7.483
Avermectin A1a
ME504133
-
C11982
7.483
-
Avermectin A1a monosaccharide +7.5135
Avermectin A1a
ME504629
-
C11982
7.5135
-
Avermectin A1a monosaccharide +7.571001
Avermectin A1a
ME503123
-
C11982
7.571001
-
Avermectin A2a
-
ME505687
-
C11976
1.089
-
Axisothiocyanate 3
-
ME502293
-
C17007
1.1822498
-
Axisothiocyanate 3 +1.12825
-
ME502745
-
C17007
1.12825
-
Axisothiocyanate 3 +7.993
-
ME505688
-
C17007
7.993
-
Axisothiocyanate 3 +8.046
-
ME505689
-
C17007
8.046
-
Azafenidin
-
ME502521
-
C10895
1.0392083
-
Azafenidin +1.0753332
-
ME504134
-
C10895
1.0753332
-
Azoprocarbazine
-
ME503124
-
-
1.4462223
-
B-(4-Fluorobenzoyl)propionic acid
-
ME504135
-
-
6.2723336
-
B-(4-Fluorobenzoyl)propionic acid +7.5972004
-
ME502778
-
-
7.5972004
-
bacteriohopane-32,33, 34-triol-35-carbamate
-
ME504136
-
-
1.0316666
-
Baptifoline
Baptifoline
ME505690
-
C10755
4.432
-
Barbital
5,5-Diethylbarbituric acid
ME504630
-
-
2.036
-
Barbital +2.3965
5,5-Diethylbarbituric acid
ME504631
-
-
2.3965
-
Barbital +6.54
5,5-Diethylbarbituric acid
ME505691
-
-
6.54
-
Barbital +7.186
5,5-Diethylbarbituric acid
ME505692
-
-
7.186
-
Barbital +7.302
5,5-Diethylbarbituric acid
ME504632
-
-
7.302
-
BAY-60-7550
-
ME505693
-
-
1.358
-
BAY-60-7550 +1.4426666
-
ME504137
-
-
1.4426666
-
b-D-Galactopyranose
-
ME504138
-
C17207
2.9133332
-
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-na...
-
ME502522
-
-
1.3909167
-
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-na...
-
ME503029
-
-
1.6074
-
Bellendine
Bellendine
ME503327
-
C10846
5.6765714
-
Bellendine +6.342
Bellendine
ME505694
-
C10846
6.342
-
Benazepril
Benazepril
ME504633
-
C06843
1.6545
-
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
-
ME504139
-
C14853
1.4513334
-
Benzo[a]pyrene-trans-11,12-dihydrodiol
-
ME503463
-
C18285
1.3666667
-
Benzoylagmatine
Benzoylagmatine
ME502417
-
C02253
1.1913104
-
Benzoylagmatine +1.195
Benzoylagmatine
ME505695
-
C02253
1.195
-
Benzoylagmatine +9.124
Benzoylagmatine
ME505696
-
C02253
9.124
-
Benzphetamine
Benzphetamine
ME505697
-
C07538
1.341
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME504140
-
C04561
1.644
-
benzylazanium
Benzylamine
ME505698
-
C15562
5.338
-
benzylazanium +5.4168005
Benzylamine
ME503633
-
C15562
5.4168005
-
Benzylbutylphthalate
Benzyl butyl phthalate
ME504635
-
C14211
1.0625
-
Benzyl chloride
Benzyl chloride
ME504634
-
C19167
7.701
-
Benzyloxyphenylisoserine Methylester
-
ME503030
-
-
1.2111001
-
Benzyloxyphenylisoserine Methylester +1.3226666
-
ME504141
-
-
1.3226666
-
Benzyloxyphenylisoserine Methylester +1.994
-
ME504636
-
-
1.994
-
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME505699
-
C09816
1.312
-
Berbamunine
-
ME504142
-
C05177
1.4376665
-
Berbamunine +2.626
-
ME505700
-
C05177
2.626
-
Bestatin
Bestatin
ME503634
-
C00732
2.9694
-
Bestatin +2.7370002
Bestatin
ME504143
-
C00732
2.7370002
-
Bestatin +3.1152
Bestatin
ME503635
-
C00732
3.1152
-
Bestatin +3.3625
Bestatin
ME503838
-
C00732
3.3625
-
Bestatin +3.431
Bestatin
ME505701
-
C00732
3.431
-
Bestatin +6.386
Bestatin
ME503219
-
C00732
6.386
-
Bestatin +6.438714
Bestatin
ME503328
-
C00732
6.438714
-
Bestatin +7.646
Bestatin
ME504637
-
C00732
7.646
-
Bestatin +8.5805
Bestatin
ME504638
-
C00732
8.5805
-
beta-D-Gentiobiosyl crocetin
-
ME505702
-
C19869
1.368
-
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosp...
-
ME502444
-
C04830
5.6948934
-
Betaine
Betaine
ME502463
-
C00719
6.396444
-
Betaine +6.2143884
Betaine
ME502671
-
C00719
6.2143884
-
Betaine +6.535154
Betaine
ME502484
-
C00719
6.535154
-
Bethanechol
-
ME504144
-
C06850
6.647667
-
b-Glucose
Glucose
ME504639
-
C00221
2.759
-
Bicalutamide
Bicalutamide
ME502779
-
C08160
1.0864666
-
Bifenazate
Bifenazate
ME502502
-
C18589
1.13776
-
Bifenazate +2.0
Bifenazate
ME505703
-
C18589
2
-
Bifenazate +2.097
Bifenazate
ME504640
-
C18589
2.097
-
Bikhaconitine
-
ME504641
-
C08664
1.133
-
BILA 2185BS
-
ME504642
-
C15657
1.205
-
Biopterin
Biopterin
ME505704
-
C06313
3.368
-
Bioresmethrin
-
ME504643
-
C16810
1.255
-
Bioresmethrin +6.0765
-
ME504644
-
C16810
6.0765
-
Biotripyrrin-b
-
ME503464
-
-
1.4241667
-
Bis (2-hydroxypropyl) amine
-
ME502294
-
-
5.6760626
-
Bis (2-hydroxypropyl) amine +5.68275
-
ME503839
-
-
5.68275
-
bis(4-fluorophenyl)-Methanone
-
ME504645
-
-
7.7
-
Bisacodyl diphenol
-
ME502485
-
-
2.087231
-
Bisacodyl diphenol +1.2273333
-
ME504145
-
-
1.2273333
-
Bis(glycerophospho)-glycerol
-
ME505705
-
C03853
3.59
-
Boc-Asn
-
ME502627
-
C01410
6.2085
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe
-
ME503465
-
-
1.441
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +1.408
-
ME505706
-
-
1.408
-
B-Octylglucoside
beta-Octylglucoside
ME502295
-
-
1.1951249
-
B-Octylglucoside +1.194
beta-Octylglucoside
ME504646
-
-
1.194
-
Brosimacutin B
-
ME502710
-
-
1.0831176
-
Brosimacutin B +1.0826429
-
ME502825
-
-
1.0826429
-
Brucine
Brucine
ME503840
-
C09084
1.40775
-
Bufotalin
-
ME504647
-
C16923
1.9035001
-
Bufotalin +3.264
-
ME504648
-
C16923
3.264
-
Bullatacinone
Bullatacinone
ME502780
-
C08470
4.8644004
-
butalbital
Butalbital
ME503841
-
-
1.67575
-
butalbital +2.6065
Butalbital
ME503842
-
-
2.6065
-
butalbital +3.475
Butalbital
ME505707
-
-
3.475
-
butalbital +4.157
Butalbital
ME505708
-
-
4.157
-
butalbital +6.476
Butalbital
ME505709
-
-
6.476
-
butalbital +6.48
Butalbital
ME505710
-
-
6.48
-
Butopyronoxyl
-
ME503329
-
C19142
1.2960001
-
Butopyronoxyl +1.1
-
ME505711
-
C19142
1.1
-
Butopyronoxyl +1.1004
-
ME503636
-
C19142
1.1004
-
Butopyronoxyl +1.6455001
-
ME503220
-
C19142
1.6455001
-
Butralin
-
ME504146
-
C18582
5.9956665
-
Butralin +6.9285
-
ME504649
-
C18582
6.9285
-
BW 723C86
-
ME505712
-
-
3.169
-
BW 723C86 +6.46
-
ME505713
-
-
6.46
-
Byakangelicin
-
ME504650
-
C09141
6.1759996
-
C12:4n-2,4,8,10
-
ME504667
-
-
1.2715
-
C12:5n-1,3,5,7,9
-
ME504668
-
-
1.6425
-
C14:5n-1,3,5,7,9
-
ME504684
-
-
6.4165
-
C16:4n-4,8,10,14
-
ME504164
-
-
1.3186667
-
C17 Sphinganine
C17 Sphinganine
ME502312
-
-
4.367563
-
C17 Sphinganine +4.14
C17 Sphinganine
ME504168
-
-
4.14
-
C22:2n-9,17
-
ME502601
-
-
1.1600001
-
C22:5n-3,7,10,14,18
-
ME503873
-
-
1.47875
-
C22:5n-3,7,10,14,18 +1.689
-
ME504744
-
-
1.689
-
C75
-
ME506016
-
-
7.628
-
Callytriol C
-
ME504902
-
C17005
1.605
-
Calomelanol G
-
ME504903
-
-
1.498
-
Calycanthidine
-
ME504904
-
C09097
1.2135
-
Camptothecin
Camptothecin
ME502339
-
C01897
1.0401878
-
Candimine
-
ME504905
-
C08520
2.392
-
Canthiumine
-
ME503913
-
C10000
1.4354999
-
Canthiumine +1.508
-
ME506028
-
C10000
1.508
-
Capillartemisin A
-
ME506029
-
C17789
2.93
-
Capillartemisin B
-
ME504906
-
C17795
1.8085
-
Capillartemisin B +2.004
-
ME506030
-
C17795
2.004
-
Capryloylglycine
Capryloylglycine
ME503511
-
-
1.4633335
-
Capryloylglycine +7.483
Capryloylglycine
ME504907
-
-
7.483
-
Capsaicin
Capsaicin
ME506031
-
-
1.682
-
Capsi-amide
Capsiamide
ME502491
-
C17515
1.082923
-
carbenicillin
Carbenicillin
ME506032
-
C06869
2.004
-
Carbidopa
-
ME506033
-
C07562
3.896
-
Carbofuran
-
ME506034
-
C14291
6.681
-
Carboxynorspermidine
Carboxynorspermidine
ME504233
-
C18174
5.734667
-
Carboxyspermidine
Carboxyspermidine
ME503252
-
C18172
6.970625
-
Cardiogenol C
-
ME504908
-
-
2.808
-
Cardiogenol C +1.1026667
-
ME504234
-
-
1.1026667
-
Cardiogenol C +1.418
-
ME506035
-
-
1.418
-
Caribine
Caribine
ME506036
-
C08522
1.443
-
Carmamycin A
-
ME502791
-
-
6.485866
-
Carnitine
Carnitine
ME502652
-
C00487
7.1402106
-
Carolinianine
-
ME506037
-
C09856
4.273
-
Carolinianine +4.4344997
-
ME504909
-
C09856
4.4344997
-
Carpipramine
-
ME504910
-
C12896
1.243
-
Carteolol
Carteolol
ME504911
-
C06874
1.44
-
Carteolol +1.264
Carteolol
ME506038
-
C06874
1.264
-
Carteolol +4.863
Carteolol
ME506039
-
C06874
4.863
-
Carteolol +4.902
Carteolol
ME506040
-
C06874
4.902
-
Carteolol +7.7135
Carteolol
ME504912
-
C06874
7.7135
-
Cassaidine
Cassaidine
ME502469
-
C08669
1.1402963
-
Cassaidine +1.2145312
Cassaidine
ME502340
-
C08669
1.2145312
-
Cassaidine +1.4556667
Cassaidine
ME503512
-
C08669
1.4556667
-
Castanospermine
Castanospermine
ME506041
-
C02256
1.787
-
Castanospermine +2.093
Castanospermine
ME504913
-
C02256
2.093
-
Cavinine
-
ME503914
-
C08524
1.51975
-
Cavinine +2.0180001
-
ME504914
-
C08524
2.0180001
-
CAY10449
-
ME504915
-
-
4.3234997
-
CAY10464
-
ME506042
-
-
1.337
-
CAY10492
-
ME506043
-
-
3.073
-
CAY10492 +1.611
-
ME506044
-
-
1.611
-
CAY10492 +2.2529998
-
ME504916
-
-
2.2529998
-
CAY10492 +6.5930004
-
ME503915
-
-
6.5930004
-
CAY10506
-
ME504917
-
-
2.0015001
-
CAY10506 +2.0825
-
ME504918
-
-
2.0825
-
CAY10514
-
ME506045
-
-
4.873
-
CAY10580
-
ME506046
-
-
1.126
-
CAY10583
-
ME502427
-
-
1.0492758
-
CAY10598
-
ME502576
-
-
5.658046
-
CAY10621
-
ME502983
-
-
1.0409092
-
CAY10621 +1.2436666
-
ME502679
-
-
1.2436666
-
CB-13
-
ME502551
-
-
1.1063912
-
CBHA
-
ME506047
-
-
4.004
-
CCT018159
-
ME503916
-
-
2.0695
-
Cefoselis
-
ME503917
-
C11210
1.0365
-
Cefoxitin
-
ME504919
-
C06887
7.7005
-
Cefpodoxime proxetil
Cefpodoxime proxetil
ME502680
-
C08115
1.0807778
-
Celiprolol
-
ME502428
-
-
6.3216195
-
Cer(d18:0/h17:0)
Cer 18:0;O2/17:0;O
ME503918
-
-
1.19
-
Cer(d18:1/18:1(11Z))
Cer 18:1;O2/18:1(11Z)*
ME504920
-
-
1.2114999
-
Cer(d18:2/20:0)
Cer 18:2;O2/20:0
ME504921
-
-
1.208
-
Cerivastatin
-
ME506048
-
C07966
2.846
-
Cer(t18:0/16:0)
Cer 18:0;O3/16:0
ME504235
-
-
1.1926666
-
CGH 2466
CGH 2466
ME504922
-
C14128
2.916
-
Chaksine
Chaksine
ME502925
-
C09940
1.3350834
-
Chalcomycin
-
ME506049
-
C15678
1.068
-
Chamazulene
Chamazulene
ME504923
-
C09633
1.2055
-
Chamazulene +1.572
Chamazulene
ME506050
-
C09633
1.572
-
Chivosazole A
-
ME503253
-
C15728
1.689625
-
Chivosazole A +1.8365
-
ME503919
-
C15728
1.8365
-
Chlorbufam
-
ME506051
-
C19060
1.042
-
Chloromebuform
-
ME502379
-
C19037
1.1336775
-
Chloromethiuron
-
ME506052
-
C19026
1.575
-
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranos...
-
ME504236
-
-
2.0876667
-
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranos...
-
ME503513
-
-
2.3913333
-
Cholest-5-ene
Cholest-5-ene
ME504924
-
C05416
3.8055
-
cholesteryl beta-D-glucoside
Cholesteryl beta-D-glucoside
ME504237
-
C03855
4.0550003
-
Cholic acid glucuronide
Cholic acid glucuronide
ME504925
-
-
3.236
-
Cholic acid glucuronide +3.6834998
Cholic acid glucuronide
ME504926
-
-
3.6834998
-
Choline sulfate
Choline sulfate
ME503254
-
C00919
3.7394998
-
ciclopirox
Ciclopirox
ME504927
-
-
6.1285
-
ciclopirox +6.3636665
Ciclopirox
ME504238
-
-
6.3636665
-
ciclopirox +6.818
Ciclopirox
ME506053
-
-
6.818
-
Cilazapril
-
ME506054
-
C11693
6.487
-
Cimetidine
Cimetidine
ME503920
-
D00295
4.24275
-
Cimetidine sulfoxide
-
ME503921
-
-
4.4795
-
cimicifoetiside B
-
ME504928
-
-
1.118
-
Cimicifugoside
Cimicifugoside
ME503514
-
C08935
5.566
-
Cinchonidinone
-
ME506055
-
C16846
8.932
-
Cinnamodial
-
ME506056
-
C09638
1.728
-
Cinobufotalin
-
ME503687
-
C16932
1.5718
-
Ciprofloxacin
Ciprofloxacin
ME506057
-
C05349
2.487
-
cis-1,2-Diphenylcyclobutane
-
ME504239
-
C14467
5.381334
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME503150
-
C11456
2.383222
-
cis-5-Tetradecenoylcarnitine
CAR 14:1
ME504240
-
-
1.1116667
-
cis-Caryophyllene
-
ME502341
-
-
1.1468748
-
cis-Caryophyllene +1.087
-
ME504929
-
-
1.087
-
cis-Chlorobenzene dihydrodiol
-
ME504930
-
C18238
2.1275
-
cis-Zeatin
cis-Zeatin
ME502492
-
C15545
5.3984222
-
cis-Zeatin +1.5618463
cis-Zeatin
ME502885
-
C15545
1.5618463
-
cis-Zeatin +2.6260002
cis-Zeatin
ME504241
-
C15545
2.6260002
-
cis-Zeatin +5.183
cis-Zeatin
ME506058
-
C15545
5.183
-
cis-Zeatin +5.3156667
cis-Zeatin
ME503515
-
C15545
5.3156667
-
Citrinin
Citrinin
ME506059
-
C16765
6.512
-
Clionamide
-
ME506060
-
C17092
1.088
-
Clofibrate
Clofibrate
ME503368
-
C06916
2.0877142
-
Cobalt-precorrin 5A
-
ME506061
-
C16242
1.026
-
Codeine
Codeine
ME506062
-
C06174
1.221
-
Compound III(S)
Compound III(S)
ME506063
-
C06495
1.067
-
Confertifolin
-
ME504242
-
C09376
1.5743333
-
Confertifolin +1.234
-
ME506064
-
C09376
1.234
-
Conhydrine
-
ME502380
-
C19983
9.170292
-
Conhydrine +9.161666
-
ME504243
-
C19983
9.161666
-
Conhydrine +9.368
-
ME506065
-
C19983
9.368
-
Coniine
Coniine
ME502681
-
C06523
4.782167
-
Coniine +9.128111
Coniine
ME503151
-
C06523
9.128111
-
Convolamine
-
ME504931
-
C10854
1.273
-
Convoline
Convoline
ME504932
-
C10855
8.218
-
Convoline +1.586
Convoline
ME506066
-
C10855
1.586
-
Convoline +1.65
Convoline
ME506067
-
C10855
1.65
-
Coprine
Coprine
ME503369
-
C08271
6.0664287
-
Coprine +5.741
Coprine
ME506068
-
C08271
5.741
-
Cordycepin
-
ME504244
-
C08431
3.2443333
-
Corpaine
Corpaine
ME506069
-
C09393
1.054
-
Corrinoid
-
ME503152
-
C06021
1.0625556
-
coumarin-SAHA
-
ME504933
-
-
1.3295
-
CPA(18:0)
CPA 18:0*
ME504934
-
-
4.26
-
Crassin Acetate
-
ME502682
-
-
5.2634997
-
Crinasiadine
-
ME504245
-
C10583
2.7806666
-
Cryptophorine
Cryptophorine
ME506070
-
C10139
5.476
-
Cryptophycin 1
-
ME504935
-
C16877
1.4755
-
Cucumopine
Cucumopine
ME506071
-
C08475
6.407
-
Cyanofenphos
-
ME506072
-
C18973
2.166
-
Cycleanine
-
ME506073
-
C17387
3.921
-
Cycleanine +1.8385
-
ME504936
-
C17387
1.8385
-
Cyclocreatine
-
ME502605
-
-
2.156524
-
cyclohexylammonium
Cyclohexylamine
ME502381
-
C00571
5.1648383
-
cyclohexylammonium +4.773
Cyclohexylamine
ME506074
-
C00571
4.773
-
cyclohexylammonium +8.543
Cyclohexylamine
ME506075
-
C00571
8.543
-
Cyclopentanone
Cyclopentanone
ME504937
-
C00557
1.1035
-
Cyclopropanecarboxylate
-
ME503516
-
C16267
6.852667
-
Cymather aldehyde methyl ester
-
ME502653
-
-
1.2529474
-
Cymather aldehyde methyl ester +1.1653999
-
ME503688
-
-
1.1653999
-
Cymather aldehyde methyl ester +1.436
-
ME506076
-
-
1.436
-
Cymoxanil
-
ME502792
-
C18498
3.1047332
-
Cynometrine
-
ME506077
-
C10587
2.05
-
Cynometrine +2.098
-
ME506078
-
C10587
2.098
-
Cynometrine +2.126
-
ME506079
-
C10587
2.126
-
Cyromazine
-
ME506080
-
C14147
1.113
-
Cys Asn Arg
Cys-Asn-Arg
ME504246
-
-
4.0916667
-
Cys Asn His
Cys-Asn-His
ME506081
-
-
1.388
-
Cys Lys Asn
Cys-Lys-Asn
ME503517
-
-
2.9153335
-
Cytosine
Cytosine
ME503370
-
C00380
4.120143
-
D-1-Piperideine-2-carboxylic acid
D-1-Piperideine-2-carboxylic acid
ME506082
-
C01258
6.279
-
DAN-1 EE
-
ME506083
-
-
6.528
-
DAUDA
-
ME506084
-
-
1.414
-
D-Camphorsulfonate
-
ME506085
-
D00612
6.326
-
d-Dethiobiotin
Dethiobiotin
ME504938
-
C01909
6.6879997
-
d-Dethiobiotin +6.8815002
Dethiobiotin
ME503518
-
C01909
6.8815002
-
d-Dethiobiotin +7.7555003
Dethiobiotin
ME503519
-
C01909
7.7555003
-
Deamino-?-keto-demethylphosphinothricin
-
ME506086
-
C17948
8.525
-
Debromoaplysiatoxin
-
ME502984
-
C05148
1.2424544
-
Debromohymenialdisine
-
ME506087
-
C19897
6.446
-
decanamide
Decanamide
ME502493
-
-
1.2075384
-
decanamide +4.133
Decanamide
ME506088
-
-
4.133
-
Decanoyl m-Nitroaniline
-
ME506089
-
-
4.575
-
Dehydroabietamide
-
ME504939
-
-
7.6605
-
Dehydroandrosterone
Dehydroandrosterone
ME502552
-
-
1.1125219
-
Dehydroandrosterone +1.1034999
Dehydroandrosterone
ME504940
-
-
1.1034999
-
Dehydrofalcarinol
-
ME504941
-
C17716
4.4575
-
Dehydrojuvabione
Dehydrojuvabione
ME506090
-
C09657
6.928
-
Dehydrojuvabione +1.2893333
Dehydrojuvabione
ME504247
-
C09657
1.2893333
-
Delcorine
Delcorine
ME503922
-
C08675
1.68775
-
Delcorine +1.282
Delcorine
ME506091
-
C08675
1.282
-
delta-Guanidinovaleric acid
DGVA
ME506092
-
C13688
6.058
-
Demethylcitalopram
N-Desmethylcitalopram
ME503923
-
C16608
4.28225
-
Demissine
-
ME504942
-
C10803
1.079
-
Denticulaflavonol
-
ME503255
-
-
1.0430001
-
Deoxycholic acid 3-glucuronide
Deoxycholic acid 3-glucuronide
ME503924
-
-
8.01925
-
Deoxycytidine
Deoxycytidine
ME503256
-
C00881
4.123875
-
Deoxycytidine +7.743
Deoxycytidine
ME506093
-
C00881
7.743
-
Deoxymiroestrol
Deoxymiroestrol
ME502429
-
C18164
1.0672759
-
Deoxymiroestrol +1.077
Deoxymiroestrol
ME504943
-
C18164
1.077
-
Depdecin
Depdecin
ME504944
-
-
1.5365
-
Desacetylcolchicine
-
ME504945
-
C16712
1.428
-
Desacetylvinblastine
-
ME503925
-
-
5.78325
-
Desethylchloroquine
Desethylchloroquine
ME504946
-
-
1.6159999
-
desethyletomidate
-
ME503926
-
-
3.5285
-
Desmethyldescarbamoylnovobiocin
-
ME504948
-
C12475
1.2475
-
Desmethyldeschlorobenzoyl Indomethacin
-
ME506094
-
-
2.215
-
Desmethyldihydrocapsaicin
-
ME504248
-
-
1.7516667
-
Desmethyl fluvoxamine
-
ME503371
-
-
1.5587142
-
Desmethylnizatidine
-
ME503927
-
-
3.5852501
-
Desmethylpirenzepine
-
ME503928
-
-
1.285
-
Desmethylpirenzepine +1.578
-
ME506095
-
-
1.578
-
Desmethyl rosuvastatin
-
ME504947
-
-
6.061
-
Desoxypeganine
3-Deoxyvasicine
ME504249
-
C10656
1.4116665
-
Dexnorfenfluramine
-
ME506096
-
-
6.97
-
dexpanthenol
Pantothenol
ME503689
-
C05944
1.1807998
-
dexpanthenol +6.741
Pantothenol
ME506097
-
C05944
6.741
-
D-Fructofuranose 1,2':2,3'-dianhydride
-
ME504949
-
C04420
2.612
-
DG(14:0/24:1(15Z)/0:0)
DG 14:0/24:1(15Z)/0:0*
ME504250
-
-
3.7316666
-
DG(14:1(9Z)/14:1(9Z)/0:0)
DG 14:1(9Z)/14:1(9Z)/0:0
ME506098
-
-
3.853
-
DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)
DG 14:1(9Z)/20:3(8Z,11Z,14Z)/0:0*
ME504950
-
-
1.067
-
DG(16:0/22:2(13Z,16Z)/0:0)[iso2]
DG 16:0/22:2(13Z,16Z)/0:0*
ME506099
-
-
3.717
-
DG(16:1(9Z)/14:1(9Z)/0:0)
DG 16:1(9Z)/14:1(9Z)/0:0*
ME506100
-
-
3.82
-
DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
DG 17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME504251
-
-
1.0830001
-
DG(17:1(9Z)/19:0/0:0)[iso2]
DG 17:1(9Z)/19:0/0:0*
ME504252
-
-
3.7396667
-
DG(18:0/22:1(13Z)/0:0)[iso2]
DG 18:0/22:1(13Z)/0:0*
ME504951
-
-
3.7354999
-
DG(18:1(11Z)/18:2(9Z,12Z)/0:0)
DG 18:1(11Z)/18:2(9Z,12Z)/0:0*
ME504952
-
-
3.201
-
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME502342
-
-
1.1210625
-
DG(18:1(9Z)/22:1(13Z)/0:0)[iso2]
DG 18:1(9Z)/22:1(13Z)/0:0*
ME506101
-
-
3.712
-
DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)
DG 18:4(6Z,9Z,12Z,15Z)/15:0/0:0*
ME504253
-
-
1.095
-
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]
DG 20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0*
ME502430
-
-
1.1164138
-
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] +...
DG 20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0*
ME502721
-
-
1.1175295
-
DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
DG 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME504953
-
-
1.112
-
DG(22:0/14:0/0:0)
DG 22:0/14:0/0:0*
ME503153
-
-
1.0394444
-
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
DG 22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME502343
-
-
1.1071564
-
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +...
DG 22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME502683
-
-
1.1077223
-
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0...
DG 22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0*
ME502840
-
-
1.1172143
-
DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME502344
-
-
1.1015
-
D-Glucose oxime
Glucosoxime
ME504955
-
C02264
1.2465
-
D-Glutamine
D-Glutamine
ME504956
-
C00819
2.8895001
-
D-Glutamine +7.103
D-Glutamine
ME506102
-
C00819
7.103
-
DG(O-16:0/18:1(9Z))
DG O-16:0_18:1
ME504954
-
C13862
1.1110001
-
D-?-Hydroxyglutaric acid
Hydroxyglutaric acid
ME502720
-
-
1.0508823
-
Di(2-ethylhexyl) adipate
Diethylhexyl adipate
ME502470
-
C14240
1.0342221
-
Diacetyl
Diacetyl
ME502684
-
C00741
6.691722
-
Diacetyl +7.476
Diacetyl
ME506103
-
C00741
7.476
-
Diallyl Sulfide
Di-2-propenyl sulfide
ME502577
-
C08370
1.5714091
-
Diaziquone
-
ME503690
-
-
1.4014
-
Dibekacin
-
ME506104
-
-
7.504
-
Dibekacin +3.748
-
ME506105
-
-
3.748
-
DIBOA
-
ME503051
-
C15770
1.6303002
-
Dibutyl succinate
-
ME502528
-
C19143
1.2597083
-
Dicyclohexylamine
N,N-Dicyclohexylamine
ME504254
-
C14686
4.253
-
Di-demethylcitalopram
-
ME504255
-
C16609
4.3286667
-
Didesmethylpheniramine
-
ME503929
-
-
4.844
-
Diethofencarb
Diethofencarb
ME506106
-
C11077
6.498
-
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
ME503930
-
C04587
6.88425
-
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +6.216
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
ME506107
-
C04587
6.216
-
Diethylcarbamazine
-
ME504958
-
C07968
8.5875
-
Diethylcarbamazine +4.625
-
ME504959
-
C07968
4.625
-
Diethylcarbamazine N-Oxide
-
ME506108
-
-
7.037
-
Diethylene glycol
Diethylene glycol
ME502494
-
C14689
1.5723462
-
Diethylene glycol +1.1946666
Diethylene glycol
ME504256
-
C14689
1.1946666
-
Diethylene glycol +7.8655
Diethylene glycol
ME504960
-
C14689
7.8655
-
Diethyl Oxalpropionate
4-Heptenal diethyl acetal
ME504957
-
C04067
2.2919998
-
Diethylstilbestrol diphosphate
Fosfestrol
ME502758
-
C08145
1.040125
-
Difenoxuron
-
ME504257
-
C19076
1.212
-
diginatigenin
-
ME506109
-
-
1.349
-
Digitoxigenin
Digitoxigenin
ME506110
-
-
3.254
-
Dihomo-PGI2
Dihomo-PGI2
ME504961
-
-
1.338
-
Dihydro-7-Desacetyldeoxygedunin
-
ME506111
-
-
1.905
-
Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene
-
ME506112
-
C15886
1.078
-
Dihydrocelastryl Diacetate
-
ME504962
-
-
1.2435
-
dihydro-?-ergocryptine
-
ME502841
-
-
6.6479993
-
Dihydrojasmonic Acid, Methyl Ester
-
ME502382
-
-
1.2775807
-
Dihydromacarpine
-
ME504963
-
C05316
2.0085
-
Dihydropicromycin
-
ME506113
-
C15755
1.347
-
Dihydroxycarteolol M2
-
ME503520
-
-
2.098
-
Dihydroxycarteolol M2 +1.9895
-
ME504964
-
-
1.9895
-
Dihydroxycarteolol M2 +2.7813077
-
ME502886
-
-
2.7813077
-
Dihydroxycarteolol M2 +2.9596314
-
ME502654
-
-
2.9596314
-
Dihydroxycarteolol M2 +3.3627002
-
ME503052
-
-
3.3627002
-
Dihydroxycarteolol M2 +3.5043528
-
ME502722
-
-
3.5043528
-
Dihydroxycarteolol M2 +6.346333
-
ME504258
-
-
6.346333
-
Dihydroxycarteolol M2 +6.4651003
-
ME503053
-
-
6.4651003
-
Dihydroxycarteolol M2 +6.5735
-
ME503931
-
-
6.5735
-
Dihydroxymelphalan
-
ME503054
-
-
6.8387003
-
Dihydroxymelphalan +2.9492
-
ME503691
-
-
2.9492
-
Dihydroxymelphalan +7.2174997
-
ME504965
-
-
7.2174997
-
Dihydroxymelphalan +7.351
-
ME506114
-
-
7.351
-
Dihydrozeatin
Dihydrozeatin
ME503257
-
C02029
1.2693751
-
Diisobutyl phthalate
Diisobutyl phthalate
ME502345
-
C15205
1.0610003
-
Diisopropyl sulfate
-
ME504259
-
C19230
3.4283333
-
Diisopropyl sulfate +1.59
-
ME506115
-
C19230
1.59
-
Dikegulac
-
ME506116
-
C18825
2.267
-
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME506117
-
C04720
6.068
-
Dimebolin
-
ME503258
-
-
1.288125
-
Dimebolin +1.339
-
ME506118
-
-
1.339
-
Dimepiperate
-
ME506119
-
C14571
6.695
-
Dimetacrine
-
ME506120
-
C12959
1.104
-
Dimethachlor
-
ME503932
-
C18718
3.99825
-
Dimethachlor +4.159
-
ME506121
-
C18718
4.159
-
Dimethylaminoethyl reserpilinate
-
ME503372
-
C13441
1.4694287
-
Dimethylaminoethyl reserpilinate +1.4954
-
ME503055
-
C13441
1.4954
-
Dimethylaminoethyl reserpilinate +6.059
-
ME506122
-
C13441
6.059
-
Dimethylaminoethyl reserpilinate +6.198667
-
ME504260
-
C13441
6.198667
-
Diminazene
-
ME503692
-
C18388
6.554
-
Dinocton 6
-
ME504261
-
C18922
1.643
-
Dinoflagellate luciferin
-
ME503521
-
C19704
1.0949999
-
Dinoflagellate luciferin +1.4595001
-
ME504966
-
C19704
1.4595001
-
Dinoflagellate luciferin +1.464
-
ME506123
-
C19704
1.464
-
Dinoflagellate luciferin +2.2424998
-
ME503933
-
C19704
2.2424998
-
Dinoflagellate luciferin +2.467
-
ME506124
-
C19704
2.467
-
Dinoflagellate luciferin +2.828
-
ME504967
-
C19704
2.828
-
Dinoflagellate luciferin +5.998
-
ME504968
-
C19704
5.998
-
Dinotefuran
Dinotefuran
ME502685
-
C18509
7.0291114
-
Di-n-propylphthalate
Dipropyl phthalate
ME504262
-
C14469
1.7136668
-
Di-n-propylphthalate +8.018231
Dipropyl phthalate
ME502887
-
C14469
8.018231
-
Dioscorine
-
ME503934
-
C10142
6.1672497
-
Dioxacarb
-
ME504263
-
C18953
2.1093333
-
Dioxacarb +1.3212858
-
ME503373
-
C18953
1.3212858
-
Diphenidol
Diphenidol
ME506125
-
C06961
1.471
-
Diphenylcarbazide
-
ME502793
-
C11232
1.0828665
-
Diphenylcarbazide +1.3025
-
ME504969
-
C11232
1.3025
-
Diphenylcarbazide +1.5233334
-
ME502926
-
C11232
1.5233334
-
Dipropetryn
-
ME502508
-
C19101
1.5713598
-
Disinomenine
-
ME506126
-
C16954
2.778
-
Dithiopyr
-
ME506127
-
C18826
0.722
-
Divinylchlorophyll a
-
ME506128
-
C11850
1.787
-
DL-Cycloserine
-
ME506129
-
C06682
6.617
-
DL-Methionine sulfoxide
Methionine sulfoxide
ME506130
-
-
7.643
-
DMPO
-
ME502346
-
-
1.5740005
-
DMPO +1.6536001
-
ME502794
-
-
1.6536001
-
DMPO +6.4671817
-
ME502985
-
-
6.4671817
-
DMXB-A
-
ME506131
-
C19905
8.053
-
D-Mycinose
Mycinose
ME506132
-
C11913
5.694
-
D-Mycinose +1.374
Mycinose
ME506133
-
C11913
1.374
-
Docosahexaenoyl Serotonin
-
ME502759
-
-
6.1813126
-
Docosahexaenoyl Serotonin +1.1835
-
ME503935
-
-
1.1835
-
Dodeca-2(e),4(e)-dienoic acid isobutylamide
-
ME504970
-
-
4.756
-
dodecanamide
Dodecanamide
ME502606
-
-
1.1833334
-
dodecanamide +3.885
Dodecanamide
ME504264
-
-
3.885
-
Dodecanol
Dodecanol
ME504971
-
C02277
1.1205
-
Doisynoestrol
-
ME504972
-
C15453
1.4745
-
Doisynoestrol +2.0085
-
ME504973
-
C15453
2.0085
-
Dolichotheline
-
ME504265
-
C16696
4.631333
-
dolichyl D-xylosyl phosphates
-
ME506134
-
C01191
3.29
-
Dopamine glucuronide
-
ME504974
-
C03033
6.434
-
Dopamine glucuronide +6.818
-
ME504975
-
C03033
6.818
-
Dopamine quinone
Dopamine quinone
ME506135
-
C17755
7.89
-
Doxepin
Doxepin
ME504976
-
C06971
8.731
-
D-Phenyllactic acid
L-3-Phenyllactic acid
ME504977
-
-
2.3765001
-
DPPP
-
ME506136
-
-
2.913
-
D-Ribose 1-diphosphate
-
ME503936
-
C06248
5.4125004
-
D-Thevetose
-
ME506137
-
C16287
1.274
-
(E)-2-Butenyl-4-methyl-threonine
2-Butenyl-4-methylthreonine
ME503189
-
C12029
1.1708751
-
(E)-2-Butenyl-4-methyl-threonine +1.5274118
2-Butenyl-4-methylthreonine
ME502698
-
C12029
1.5274118
-
(E)-2-Butenyl-4-methyl-threonine +6.1094995
2-Butenyl-4-methylthreonine
ME503427
-
C12029
6.1094995
-
(E)-2-Butenyl-4-methyl-threonine +6.1850004
2-Butenyl-4-methylthreonine
ME503760
-
C12029
6.1850004
-
(E)-2-Butenyl-4-methyl-threonine +6.328
2-Butenyl-4-methylthreonine
ME504400
-
C12029
6.328
-
(E)-2-Butenyl-4-methyl-threonine +6.633
2-Butenyl-4-methylthreonine
ME503428
-
C12029
6.633
-
E-64
E64
ME502383
-
C01341
6.238741
-
E-64c
-
ME504266
-
-
6.522667
-
Echitovenine
-
ME502686
-
C11784
1.3761667
-
Echitovenine +1.4015001
-
ME503937
-
C11784
1.4015001
-
Ectocarpen
Ectocarpen
ME502471
-
C16993
1.146963
-
Ectoine
Ectoine
ME504978
-
C06231
7.5264997
-
Eicosapentaenoic Acid ethyl ester
-
ME503938
-
C16184
1.18475
-
Elaeokanine C
Elaeokanine C
ME503939
-
C10592
1.8605
-
Elaidic carnitine
CAR 18:1(9E)
ME506138
-
-
1.065
-
Elastin
-
ME506139
-
C00373
1.369
-
Elastin +6.5476665
-
ME504267
-
C00373
6.5476665
-
emedastine
Emedastine
ME504979
-
C07785
1.29
-
emedastine +1.226
Emedastine
ME506140
-
C07785
1.226
-
Emopamil
Emopamil
ME504980
-
C13766
3.9705
-
Emtricitabine
Emtricitabine
ME503154
-
C12599
6.2389994
-
Enalaprilat
-
ME504268
-
C11720
6.158333
-
Endothal
-
ME506141
-
C18724
6.066
-
Enicoflavine
Enicoflavine
ME504269
-
C09946
6.9646664
-
Enicoflavine +6.347
Enicoflavine
ME504981
-
C09946
6.347
-
Enigmol
-
ME503259
-
-
4.2320004
-
ent-8-iso Prostaglandin F2?
-
ME504982
-
-
1.3365
-
ent-Corey PG-Lactone Diol
-
ME502760
-
-
1.3035
-
ent-Corey PG-Lactone Diol +1.283
-
ME506142
-
-
1.283
-
ent-Corey PG-Lactone Diol +1.6730001
-
ME504983
-
-
1.6730001
-
ent-PGD2
-
ME504270
-
-
1.328
-
EPA
EPA
ME506143
-
C11487
1.934
-
Ephedroxane
-
ME504984
-
C17902
6.5635
-
Epinine
-
ME504985
-
C07453
3.215
-
Epithienamycin B
-
ME504986
-
C17396
4.0550003
-
Epothilone C
-
ME502453
-
C15694
1.1089998
-
epothilone D
Epothilone D
ME504271
-
C12039
1.111
-
Epoxy (4,5?)-4,5-Dihydrosantonin
-
ME504987
-
-
1.339
-
Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b...
-
ME506144
-
-
1.367
-
Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-
-
ME506145
-
-
8.515
-
ergosta-3beta,5alpha,6beta,25-tetrol
-
ME506146
-
-
1.056
-
Erybraedin E
-
ME503522
-
-
1.4985
-
Erysonine
-
ME506147
-
C09422
6.469
-
Erythrohydrobupropion
Erythrohydrobupropion
ME504272
-
-
3.896
-
Erythrohydrobupropion +4.105
Erythrohydrobupropion
ME503940
-
-
4.105
-
Erythroxanthin
-
ME503374
-
-
6.951
-
Escitalopram
Escitalopram
ME503941
-
-
4.2527504
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME502384
-
C15440
1.1149678
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME504273
-
C15440
1.1263334
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME502631
-
C15440
1.15105
-
Estradiol-17-phenylpropionate
-
ME504988
-
C14645
1.1835
-
Estradiol Cypionate
Estradiol cypionate
ME503693
-
C14640
1.0792
-
Ethambutol
Ethambutol
ME504274
-
C06984
8.765
-
Ethambutol aldehyde
-
ME503056
-
-
2.2171998
-
Ethambutol aldehyde +6.626
-
ME506148
-
-
6.626
-
Ethiolate
-
ME506149
-
C19095
1.372
-
Ethopropazine
Ethopropazine
ME506150
-
D03276
6.654
-
Ethosuximide
Ethosuximide
ME504275
-
C07505
1.909
-
Ethyl 3-(N-butylacetamido)propionate
-
ME502986
-
C18830
1.4166363
-
Ethyl 3-(N-butylacetamido)propionate +1.1513333
-
ME504276
-
C18830
1.1513333
-
Ethyl 3-(N-butylacetamido)propionate +1.529
-
ME506151
-
C18830
1.529
-
Ethyl 3-(N-butylacetamido)propionate +6.391
-
ME504989
-
C18830
6.391
-
Ethyldimethylaminopropyl Carbodiimide
-
ME503942
-
-
8.903501
-
Ethyl-imidazole carboxylate
-
ME504992
-
-
7.7165
-
Ethyl-imidazole carboxylate +7.343
-
ME506154
-
-
7.343
-
Ethyl isobutyl ketone
Ethyl isobutyl ketone
ME503375
-
-
6.3334284
-
Ethyl isobutyl ketone +1.161
Ethyl isobutyl ketone
ME506152
-
-
1.161
-
Ethylketocyclazocine
Ethylketocyclazocine
ME504993
-
C11795
1.4495001
-
Ethyl-p-coumarate
-
ME504994
-
-
1.7019999
-
Ethyl syringate
-
ME504990
-
-
3.4495
-
Ethyl syringate +1.6365
-
ME504991
-
-
1.6365
-
Ethyl syringate +2.899
-
ME506153
-
-
2.899
-
Evadol
-
ME502987
-
C15360
1.2625455
-
Evadol +1.311
-
ME506155
-
C15360
1.311
-
Evasterioside C
-
ME503376
-
-
3.5912857
-
Evasterioside C +3.553
-
ME506156
-
-
3.553
-
F4-Neuroprostane (7-series)
-
ME502578
-
C13819
5.529363
-
Fabianine
Fabianine
ME506157
-
C09949
4.541
-
Fagomine
Fagomine
ME504995
-
C10144
2.4685001
-
Fagomine +4.182
Fagomine
ME506158
-
C10144
4.182
-
Fagomine +6.134
Fagomine
ME506159
-
C10144
6.134
-
Fagomine +6.5762496
Fagomine
ME503260
-
C10144
6.5762496
-
Fagomine +6.806
Fagomine
ME506160
-
C10144
6.806
-
Fampridine
4-Aminopyridine
ME506161
-
C13728
6.274
-
Fampridine +5.4175
4-Aminopyridine
ME504996
-
C13728
5.4175
-
Fampridine +7.45975
4-Aminopyridine
ME503943
-
C13728
7.45975
-
Farfugin A
-
ME504997
-
-
4.017
-
Farfugin A +4.456
-
ME506162
-
-
4.456
-
Farnesyl Thiosalicylic Acid
-
ME506163
-
-
1.563
-
Fasoracetam
Fasoracetam
ME504998
-
C13311
6.0889997
-
Felbamate
Felbamate
ME504999
-
C07501
1.8640001
-
Fenhexamid
-
ME503944
-
C18593
2.91675
-
Fenothiocarb sulfoxide
Fenothiocarb sulfoxide
ME506164
-
C11085
1.252
-
Fenuron
1,1-dimethyl-3-phenyl-urea
ME505000
-
C11224
2.1564999
-
Fenuron +4.74
1,1-dimethyl-3-phenyl-urea
ME506165
-
C11224
4.74
-
Fenuron +4.7846665
1,1-dimethyl-3-phenyl-urea
ME503523
-
C11224
4.7846665
-
Ferimzone
Ferimzone
ME505001
-
C18579
1.3645
-
Ferimzone +1.181
Ferimzone
ME506166
-
C18579
1.181
-
Feruloylagmatine
-
ME503524
-
C18325
4.715667
-
Fibrin
Fibrin
ME502529
-
C00290
6.3200417
-
Fibrin +6.254
Fibrin
ME506167
-
C00290
6.254
-
Filicin
-
ME505002
-
C10693
5.9960003
-
Flavoxate
-
ME505003
-
C07809
1.4725
-
Fluenetil
-
ME505004
-
C19031
1.62
-
flumethasone pivalate
-
ME505005
-
-
2.0774999
-
flumethasone pivalate +1.112
-
ME506168
-
-
1.112
-
flumethasone pivalate +3.5254998
-
ME505006
-
-
3.5254998
-
Flupenthixol-O-glucuronide
-
ME506170
-
-
1.021
-
Flupenthixol-O-glucuronide +6.056
-
ME505007
-
-
6.056
-
Flupenthixol sulfoxide
-
ME506169
-
-
4.02
-
Fluridone
-
ME506171
-
C18857
6.054
-
Flutolanil
-
ME503945
-
C18502
2.0387502
-
Flutolanil +1.998
-
ME506172
-
C18502
1.998
-
Flutolanil +2.002
-
ME506173
-
C18502
2.002
-
Flutriafol
-
ME506174
-
C18734
3.028
-
Flutriafol +2.379
-
ME506175
-
C18734
2.379
-
Fluvoxamine
Fluvoxamine
ME502509
-
C07571
1.99712
-
Fluvoxamine +2.091909
Fluvoxamine
ME502579
-
C07571
2.091909
-
Fluvoxamine +6.495
Fluvoxamine
ME505008
-
C07571
6.495
-
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine
ME505009
-
C05647
2.584
-
Formyldienolone
-
ME504277
-
-
1.124
-
Fortimicin AP
-
ME503694
-
C17975
1.4222
-
Fructoselysine
Fructosyllysine
ME506176
-
C16488
1.724
-
FTY720 phenoxy-biotin
-
ME506177
-
-
6.642
-
Fuberidazole
Fubridazole
ME506178
-
C18737
2.387
-
Fulvine
Fulvine
ME506179
-
C10304
6.828
-
Fumonisin A1
Fumonisin A1
ME505010
-
-
1.1884999
-
Funtumine
Funtumine
ME504278
-
C10806
3.9486666
-
Furafylline
Furafylline
ME505011
-
-
2.913
-
Furafylline +2.663
Furafylline
ME506180
-
-
2.663
-
Furan
-
ME506181
-
C14275
6.701
-
Furanodienone
-
ME503525
-
C16960
1.5523334
-
Furanodienone +2.095
-
ME506182
-
C16960
2.095
-
Furathiocarb
Furathiocarb
ME504279
-
C18650
1.692
-
Furfural
2-Furancarboxaldehyde
ME503946
-
C14279
2.38475
-
Furfural +2.294
2-Furancarboxaldehyde
ME506183
-
C14279
2.294
-
Furfural diethyl acetal
-
ME506184
-
C14280
1.705
-
Fursultiamine
-
ME506185
-
C18376
6.063
-
Fusicoccin A
-
ME506186
-
-
2.161
-
Fusicoccin A +2.347
-
ME506187
-
-
2.347
-
Fusicoccin H
-
ME505012
-
C09093
2.3335
-
Fusicoccin H +2.313
-
ME506188
-
C09093
2.313
-
(-)-Fusicoplagin A
-
ME505378
-
-
1.384
-
GA
-
ME505013
-
C11484
4.515
-
GA +3.034
-
ME506189
-
C11484
3.034
-
Gabaculine
-
ME502655
-
C12110
6.372947
-
Gabaculine +6.105
-
ME504280
-
C12110
6.105
-
Gabaculine +6.205666
-
ME503526
-
C12110
6.205666
-
Gabaculine +6.226
-
ME506190
-
C12110
6.226
-
Gabaculine +6.4
-
ME504281
-
C12110
6.4
-
Gabaculine +6.532
-
ME506191
-
C12110
6.532
-
Gabapentin
Gabapentin
ME503057
-
C07018
1.1696999
-
Gabapentin +1.3032693
Gabapentin
ME502495
-
C07018
1.3032693
-
Gabapentin +1.558
Gabapentin
ME506192
-
C07018
1.558
-
Gabapentin +1.61
Gabapentin
ME506193
-
C07018
1.61
-
Gabunine
-
ME505014
-
C09195
1.198
-
Galanthamine
-
ME506194
-
C08526
8.41
-
GDP-D-glycero-alpha-D-manno-heptose
GDP-D-glycero-alpha-D-manno-heptose
ME503155
-
C19881
1.0334444
-
Gemfibrozil, metabolite II
-
ME504282
-
-
7.557667
-
Gentamicin C1a
-
ME503527
-
C00908
3.337333
-
Gentamicin C1a +2.6593335
-
ME504283
-
C00908
2.6593335
-
Gentamicin C1a +3.491875
-
ME503261
-
C00908
3.491875
-
Gentamicin C1a +3.549727
-
ME502988
-
C00908
3.549727
-
Gentamicin C1a +3.736
-
ME506195
-
C00908
3.736
-
gibberellin A17
-
ME506196
-
-
2.086
-
Gibberellin A9
Gibberellin A9
ME505015
-
C11863
3.0365
-
Gingerdione
-
ME505016
-
C10459
1.0875
-
Girgensonine
-
ME506197
-
C10148
1.419
-
Glabric acid
-
ME506198
-
C17764
1.345
-
GlcCer(d18:2/20:0)
GlcCer 18:2;O2/20:0
ME502888
-
-
1.1405385
-
Gliquidone
-
ME503947
-
-
1.52825
-
Gliquidone +1.6873001
-
ME503058
-
-
1.6873001
-
Gliquidone +1.8444546
-
ME502989
-
-
1.8444546
-
Gln Asn Tyr
Gln-Asn-Tyr
ME505017
-
-
1.1075
-
Gln Gln Ile
Gln-Gln-Ile
ME502530
-
-
1.57175
-
Gln Ile Glu
Gln-Ile-Glu
ME503528
-
-
5.7173333
-
Gln Lys Ile
Gln-Lys-Ile
ME502580
-
-
3.6307273
-
Gln Trp Ser
Gln-Trp-Ser
ME506199
-
-
3.811
-
Gln Trp Val
Gln-Trp-Val
ME506200
-
-
1.271
-
Gloriosine
-
ME505018
-
C19981
1.0534999
-
Glu Ala Ala
Glu-Ala-Ala
ME503695
-
-
6.7624
-
Glu Gln
Glu-Gln
ME505019
-
-
7.3415
-
Glu Gln +7.4525
Glu-Gln
ME505020
-
-
7.4525
-
Glu Gln +7.7097497
Glu-Gln
ME503948
-
-
7.7097497
-
Glu Gln +7.8304996
Glu-Gln
ME503949
-
-
7.8304996
-
Glu Ile
Glu-Ile
ME505021
-
-
7.9119997
-
Glu-P-2
-
ME505022
-
C19245
2.293
-
?-Glutamyl-?-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME505401
-
C15700
6.748
-
?-Glutamyl-?-aminobutyraldehyde +3.302
gamma-Glutamyl-gamma-aminobutyraldehyde
ME505402
-
C15700
3.302
-
?-Glutamyl-?-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME504048
-
C06114
6.057667
-
?-Glutamyl-?-cyanoalanine
gamma-Glutamyl-beta-cyanoalanine
ME502538
-
C05711
4.04313
-
Gly Asp Arg
Gly-Asp-Arg
ME502632
-
-
1.1011499
-
Glycidyl oleate
-
ME506208
-
C19426
1.068
-
Glycolic acid
Glycolic acid
ME505025
-
C00160
7.6975
-
Glycyl-L-leucine
Gly-Leu
ME502927
-
C02155
6.656584
-
Glycyl-L-leucine +6.57725
Gly-Leu
ME503951
-
C02155
6.57725
-
Glycyl-L-leucine +6.7
Gly-Leu
ME503952
-
C02155
6.7
-
Glycyl-L-leucine +7.643
Gly-Leu
ME504285
-
C02155
7.643
-
Glycyl-L-leucine +7.7197585
Gly-Leu
ME502431
-
C02155
7.7197585
-
Gly Ile Ala
Gly-Ile-Ala
ME505023
-
-
6.8424997
-
Gly Ile Ala +7.887
Gly-Ile-Ala
ME506201
-
-
7.887
-
Gly Leu Leu
Gly-Leu-Leu
ME504284
-
-
6.7463326
-
Gly Leu Leu +6.274
Gly-Leu-Leu
ME506202
-
-
6.274
-
Gly Met Trp
Gly-Met-Trp
ME506203
-
-
1.291
-
Gly Phe
Gly-Phe
ME503262
-
-
6.935
-
Gly Phe +2.118
Gly-Phe
ME506204
-
-
2.118
-
Gly Phe +7.552
Gly-Phe
ME506205
-
-
7.552
-
Gly Phe Val
Gly-Phe-Val
ME506206
-
-
7.878
-
Gly Pro Ala
Gly-Pro-Ala
ME503263
-
-
6.24375
-
Gly Thr Lys
Gly-Thr-Lys
ME503950
-
-
6.168
-
Gly Tyr Asp
Gly-Tyr-Asp
ME505024
-
-
1.6405001
-
Gly Val Met
Gly-Val-Met
ME506207
-
-
5.905
-
Gly Val Trp
Gly-Val-Trp
ME502496
-
-
1.0930384
-
Goniothalenol
Altholactone
ME505026
-
C09930
1.9530001
-
Gossypetin 8-glucuronide
-
ME503696
-
-
2.8874
-
Gossypetin 8-glucuronide +2.764
-
ME506209
-
-
2.764
-
Gossypetin 8-glucuronide +2.8433332
-
ME504286
-
-
2.8433332
-
Gramine
-
ME504287
-
C08304
5.7606664
-
Gramine +5.8650002
-
ME503953
-
C08304
5.8650002
-
Granisetron
-
ME505027
-
C07023
1.474
-
Granisetron +3.0314999
-
ME505028
-
C07023
3.0314999
-
Granisetron metabolite 1
-
ME506210
-
-
1.082
-
Granisetron metabolite 3
-
ME503697
-
-
4.335
-
Graphinone
Ovalicin
ME506211
-
C09674
1.478
-
Graphinone +5.40575
Ovalicin
ME503954
-
C09674
5.40575
-
Grayanotoxin I
Grayanotoxin I
ME503377
-
C09103
1.4189999
-
Guanethidine
Guanethidine
ME506212
-
C07036
1.139
-
Gymnemic acid I
Gymnemic acid I
ME502842
-
C08947
5.5687857
-
Halaminol A
Halaminol A
ME502510
-
-
1.1514
-
Halaminol A +1.181
Halaminol A
ME506213
-
-
1.181
-
Halaminol A +3.7841666
Halaminol A
ME503529
-
-
3.7841666
-
Halfordinol
Halfordinol
ME505029
-
C10596
7.7
-
Harmaline
Harmaline
ME506214
-
C06536
2.541
-
Harzianopyridone
Harzianopyridone
ME503378
-
C10150
7.433857
-
Harzianopyridone +7.031
Harzianopyridone
ME506215
-
C10150
7.031
-
Harzianopyridone +7.529
Harzianopyridone
ME503530
-
C10150
7.529
-
HC Blue No.1
-
ME504288
-
C19247
6.395
-
HC Red No. 3
-
ME506216
-
C19430
7.484
-
HC Yellow No. 4
-
ME505030
-
C19431
1.5745001
-
Hecogenin Acetate
-
ME503379
-
-
1.8149999
-
Hecogenin Acetate +1.846
-
ME506217
-
-
1.846
-
Hematoporphyrin
Hematoporphyrin
ME503955
-
-
1.161
-
Hemigossypol
Hemigossypol
ME502531
-
C09680
1.5712916
-
Heptabarbital
-
ME503698
-
C17725
7.0287995
-
Heptaminol
-
ME502795
-
-
6.0512004
-
Heptanoic acid
Heptylic acid
ME503699
-
C05799
1.2545999
-
Herbimycin
Herbimycin
ME505031
-
C11225
1.24
-
Heritonin
Heritonin
ME506218
-
C09936
7.812
-
hexadeca-7,11-dien-1-ol
-
ME503380
-
-
1.1124285
-
?-Hexalactone
-
ME502363
-
-
1.2515805
-
?-Hexalactone +1.1411667
-
ME502659
-
-
1.1411667
-
?-Hexalactone +1.1795
-
ME503761
-
-
1.1795
-
?-Hexalactone +1.392
-
ME504405
-
-
1.392
-
Hexanoylglycine
Hexanoylglycine
ME503059
-
-
1.6667999
-
Hexanoylglycine +1.318
Hexanoylglycine
ME506219
-
-
1.318
-
Hexanoylglycine +6.0629997
Hexanoylglycine
ME505032
-
-
6.0629997
-
Hexanoylglycine +6.257875
Hexanoylglycine
ME503264
-
-
6.257875
-
Hexazinone
-
ME506220
-
C10926
1.758
-
Hexylamine
Hexylamine
ME502472
-
C08306
4.8894444
-
Hildgardtene
-
ME505033
-
-
1.8629999
-
Hinokitiol glucoside
-
ME506221
-
C15451
4.815
-
Hippuric acid
Hippuric acid
ME506222
-
C01586
7.138
-
Hippuric acid +1.949
Hippuric acid
ME506223
-
C01586
1.949
-
Hippurin-1
-
ME503531
-
-
1.337
-
His Ala
His-Ala
ME506224
-
-
6.648
-
His Arg
His-Arg
ME505034
-
-
4.892
-
His Gly Pro
His-Gly-Pro
ME506225
-
-
6.696
-
His Lys
His-Lys
ME504289
-
-
1.449
-
His Lys +2.39
His-Lys
ME504290
-
-
2.39
-
His Lys +2.8639998
His-Lys
ME505035
-
-
2.8639998
-
His Lys +2.927
His-Lys
ME506226
-
-
2.927
-
His Lys +6.072
His-Lys
ME506227
-
-
6.072
-
His Lys Met
His-Lys-Met
ME503532
-
-
1.1183333
-
His Lys Pro
His-Lys-Pro
ME506228
-
-
1.322
-
His Pro
His-Pro
ME502553
-
-
6.066174
-
His Pro +6.0646667
His-Pro
ME503533
-
-
6.0646667
-
His Pro +6.7775
His-Pro
ME505036
-
-
6.7775
-
Histamine
Histamine
ME503956
-
C00388
7.4639997
-
Histidylleucine
His-Leu
ME506229
-
C05010
7.924
-
Histidylleucine +2.924
His-Leu
ME505037
-
C05010
2.924
-
Histidylleucine +6.61
His-Leu
ME506230
-
C05010
6.61
-
Hodgkinsine
Hodgkinsine
ME504291
-
C09211
6.6240005
-
Homaline
Homaline
ME503534
-
C10599
7.5955005
-
Homatropine
Homatropine
ME502843
-
C07814
1.2605
-
Homatropine +1.3785001
Homatropine
ME503957
-
C07814
1.3785001
-
Homatropine +4.5395
Homatropine
ME505038
-
C07814
4.5395
-
Homoanserine
-
ME504292
-
-
4.080667
-
Homochelidonine
-
ME502347
-
C12257
1.1663439
-
Homocysteinesulfinic acid
Homocysteinesulfinic acid
ME506231
-
-
3.207
-
Homocystine
Homocystine
ME506232
-
C01817
6.546
-
Homovanillyl alcohol
-
ME506233
-
-
9.712
-
Hydrouracil (Dihydrothymine)
Dihydrothymine
ME506234
-
C00906
7.491
-
Hydroxybupropion
Hydroxybupropion
ME505039
-
-
4.2265
-
Hydroxychloroquine
Hydroxychloroquine
ME506235
-
C07043
1.148
-
Hydroxylysine
5-Hydroxylysine
ME506236
-
C01211
1.433
-
Hydroxymelphalan
-
ME506237
-
-
1.715
-
Hydroxyphenoxyethylaminohydroxypropanol
-
ME503381
-
-
1.434
-
Hydroxyphenoxyethylaminohydroxypropanol +1.6329999
-
ME505040
-
-
1.6329999
-
Hydroxyphenoxyethylaminohydroxypropanol +2.6581998
-
ME503700
-
-
2.6581998
-
Hydroxyphenoxyethylaminohydroxypropanol +6.7525
-
ME505041
-
-
6.7525
-
Hydroxyphenoxyethylaminohydroxypropanol +7.7405
-
ME503958
-
-
7.7405
-
Hydroxyphenoxyethylaminohydroxypropanol +7.949333
-
ME504293
-
-
7.949333
-
Hydroxythiopental
-
ME503959
-
-
4.66125
-
Hydroxythiopental +4.89075
-
ME503960
-
-
4.89075
-
(-)-Hygroline
Hygroline
ME503293
-
C10152
5.0732856
-
(-)-Hygroline +5.039
Hygroline
ME505379
-
C10152
5.039
-
Hygromycin B
-
ME504294
-
C01925
1.6916666
-
Hymenoflorin
Hymenoflorin
ME502554
-
C09480
1.1311305
-
Hymenoxon
Hymenoxon
ME506238
-
C09482
6.219
-
Hypaphorine
Lenticin
ME505042
-
C09213
5.602
-
Hypericin
Hypericin
ME503060
-
C07606
1.0536
-
Hypoxanthine
Hypoxanthine
ME506239
-
C00262
2.8
-
Hypusine
Hypusine
ME505043
-
-
8.9865
-
(±)-Ibuprofen
Ibuprofen
ME504388
-
C01588
6.9805
-
(±)-Ibuprofen +1.336
Ibuprofen
ME505385
-
C01588
1.336
-
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydro...
-
ME506240
-
-
1.168
-
Ile Phe
Ile-Phe
ME504295
-
-
8.042666
-
Ile Val Asp
Ile-Val-Asp
ME504296
-
-
7.8036666
-
Ilexolide A
Ilexolide A
ME506241
-
C08957
4.375
-
Imidazoleacetic acid
Imidazoleacetic acid
ME505044
-
C02835
7.1099997
-
Immepip
-
ME502454
-
C17932
9.620321
-
Immepip +9.62
-
ME505045
-
C17932
9.62
-
Indican
Indican
ME506242
-
C08481
3.045
-
Indicumenone
-
ME503701
-
C17612
1.113
-
Indicumenone +1.205
-
ME506243
-
C17612
1.205
-
Indicumenone +1.2546666
-
ME503156
-
C17612
1.2546666
-
Indicumenone +1.57525
-
ME503961
-
C17612
1.57525
-
Indicumenone +6.492
-
ME506244
-
C17612
6.492
-
Indole-3-acetaldoxime N-oxide
Indole-3-acetaldoxime N-oxide
ME506245
-
C17204
1.449
-
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME505046
-
C08493
2.099
-
Indoleacrylic acid
Indoleacrylic acid
ME506246
-
C00331
5.601
-
Ipconazole
-
ME505047
-
C18471
1.4384999
-
Ipecac (Psychotrine)
Psychotrine
ME505048
-
C09612
6.2005
-
Iprovalicarb
-
ME503382
-
C18866
1.3689998
-
Iprovalicarb +7.3225
-
ME505049
-
C18866
7.3225
-
Iretol
-
ME506247
-
-
1.095
-
Iridotrial glucoside
Iridotrial glucoside
ME506248
-
C11653
1.118
-
Irinotecan
-
ME503702
-
C16641
1.6818001
-
Irinotecan +1.85
-
ME506249
-
C16641
1.85
-
Isobutylmethylxanthine
-
ME506250
-
-
1.286
-
Isobutylmethylxanthine +1.3425
-
ME503962
-
-
1.3425
-
Isobutyrylglycine
Isobutyrylglycine
ME503061
-
-
2.1017
-
Isobutyrylglycine +2.719
Isobutyrylglycine
ME506251
-
-
2.719
-
Isobutyrylglycine +6.278
Isobutyrylglycine
ME503963
-
-
6.278
-
Isocarbamid
Isocarbamid
ME502511
-
C19047
4.391879
-
Isocarbamid +3.934
Isocarbamid
ME506252
-
C19047
3.934
-
iso-Debromo-laurinterol
-
ME504297
-
-
6.9466667
-
Isodomoic acid A
-
ME502928
-
C20027
1.4748335
-
Isodomoic acid A +1.5122
-
ME503703
-
C20027
1.5122
-
Isofebrifugine
-
ME504298
-
C10698
8.572
-
Isofebrifugine +2.393
-
ME506253
-
C10698
2.393
-
Isofenphos
Isofenphos
ME505050
-
C11002
1.6935
-
Isoguanosine
Crotonoside
ME502555
-
C08432
3.8657823
-
Isonicotineamide
-
ME503062
-
C02421
6.2707
-
Isonicotineamide +1.7034
-
ME503704
-
C02421
1.7034
-
isopimara-7,15-dienal
-
ME506254
-
C18222
1.423
-
Isopratol
-
ME506255
-
-
1.204
-
Isopropenylacetic acid
Isopropenylacetic acid
ME505051
-
-
6.4565
-
Isopropenylacetic acid +1.1948572
Isopropenylacetic acid
ME503383
-
-
1.1948572
-
Isoproturon
-
ME506256
-
C11005
3.156
-
Isoproturon +6.456
-
ME506257
-
C11005
6.456
-
Isoquinoline N-oxide
-
ME503535
-
-
1.4036669
-
Isorhamnetin 3-glucosyl-(1-6)-galactoside-7-glucos...
-
ME504299
-
-
1.0236665
-
Isouron
-
ME503265
-
C18432
6.6616254
-
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-p...
-
ME503964
-
-
1.17325
-
Istamycin AO
-
ME503063
-
C17982
5.0884004
-
Istamycin AO +5.0875
-
ME505052
-
C17982
5.0875
-
Istamycin C1
-
ME502455
-
C17996
3.9698577
-
I-Urobilin
-
ME502761
-
C05794
1.1900002
-
I-Urobilin +1.225
-
ME506258
-
C05794
1.225
-
I-Urobilin +1.4086
-
ME503705
-
C05794
1.4086
-
I-Urobilin +1.4405385
-
ME502889
-
C05794
1.4405385
-
I-Urobilin +2.145
-
ME503965
-
C05794
2.145
-
I-Urobilin +2.2350001
-
ME503536
-
C05794
2.2350001
-
I-Urobilin +2.394
-
ME505053
-
C05794
2.394
-
I-Urobilin +5.992819
-
ME502581
-
C05794
5.992819
-
I-Urobilin +6.068
-
ME506259
-
C05794
6.068
-
Ivermectin B1a
-
ME506260
-
C07970
2.378
-
Ivermectin B1a +2.617
-
ME506261
-
C07970
2.617
-
Jasplakinolide
-
ME505054
-
C16883
1.026
-
Juvabione
Juvabione
ME505055
-
C09693
1.2425001
-
Juvabione +6.4171996
Juvabione
ME503064
-
C09693
6.4171996
-
JWH 018 2-hydroxyindole metabolite
-
ME506262
-
-
5.59
-
JWH 018 N-(5-hydroxypentyl) metabolite
-
ME503966
-
-
6.76925
-
JWH 073 2-hydroxyindole
-
ME506263
-
-
1.378
-
JWH 251
-
ME506264
-
-
1.097
-
Kaempferol 3-(2''''-sinapylglucosyl)(1-4)(6'''-sin...
-
ME506265
-
-
1.026
-
Kaempferol 3-apioside-7-rhamnosyl-(1-6)-(2''-(E)-c...
-
ME506266
-
-
1.015
-
Kanakugiol
-
ME503537
-
-
3.8726666
-
(-)-Kanshone A
-
ME503004
-
-
1.1384001
-
(-)-Kanshone A +1.2325
-
ME504383
-
-
1.2325
-
Karakoline
Karakoline
ME505056
-
C08693
6.7005
-
Karanjachromene
-
ME506267
-
-
6.218
-
Karbutilate
-
ME506268
-
C18433
8.093
-
Karwinaphthol B
Karwinaphthol B
ME505057
-
C09942
4.498
-
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)
-
ME503967
-
-
5.69425
-
Kentsin
-
ME506269
-
-
2.626
-
Ketamine
Ketamine
ME505058
-
C07525
3.997
-
Kukoamine D
-
ME503266
-
C17618
6.657875
-
Kurilensoside G
-
ME503538
-
-
6.8348336
-
l-2-hydroxy-decanoic acid
-
ME502385
-
-
1.5559678
-
l-2-hydroxy-decanoic acid +1.3299999
-
ME505059
-
-
1.3299999
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME503157
-
-
6.0644445
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.270...
-
ME504300
-
-
6.270333
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.613
-
ME503065
-
-
6.613
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.681...
-
ME503706
-
-
6.6811996
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.785...
-
ME503539
-
-
6.785834
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.954
-
ME506270
-
-
6.954
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +7.319...
-
ME505060
-
-
7.3190002
-
Lactaroviolin
Lactaroviolin
ME506271
-
C09696
6.48
-
L-Adrenaline
Epinephrine
ME502990
-
C00788
2.8788183
-
L-Adrenaline +1.8383332
Epinephrine
ME503540
-
C00788
1.8383332
-
L-Adrenaline +2.018
Epinephrine
ME506272
-
C00788
2.018
-
L-Adrenaline +3.0802858
Epinephrine
ME503384
-
C00788
3.0802858
-
L-Adrenaline +3.188
Epinephrine
ME506273
-
C00788
3.188
-
L-Adrenaline +6.1095
Epinephrine
ME503968
-
C00788
6.1095
-
L-Adrenaline +6.16
Epinephrine
ME506274
-
C00788
6.16
-
L-Alanine
Alanine
ME502890
-
C00041
7.1117687
-
L-Alanine +6.6338573
Alanine
ME503385
-
C00041
6.6338573
-
L-Alanine, N-propyl-
-
ME502348
-
-
1.6636249
-
L-Alanine, N-propyl- +5.9496665
-
ME502607
-
-
5.9496665
-
L-Alanine, N-propyl- +6.9719
-
ME502408
-
-
6.9719
-
Lanceotoxin A
Lanceotoxin A
ME503158
-
C08872
1.6964445
-
Lanceotoxin A +1.675
Lanceotoxin A
ME506275
-
C08872
1.675
-
Lanceotoxin A +1.8446666
Lanceotoxin A
ME504301
-
C08872
1.8446666
-
Lanceotoxin B
-
ME503541
-
C08873
1.4191666
-
Lanceotoxin B +2.773
-
ME506276
-
C08873
2.773
-
Laserpitin
Laserpitin
ME505061
-
C09697
1.4779999
-
Laudanosine
N-Methyltetrahydropapaverine
ME504302
-
C09558
1.0753334
-
Lauryl hydrogen sulfate
Dopamine
ME502532
-
C11166
1.5720416
-
Lauryl hydrogen sulfate +1.211
Dopamine
ME506277
-
C11166
1.211
-
L-beta-aspartyl-L-alanine
beta-Aspartylalanine
ME503969
-
-
2.266
-
L-beta-aspartyl-L-alanine +2.147
beta-Aspartylalanine
ME505062
-
-
2.147
-
L-Dopa
DOPA
ME502762
-
C00355
2.780875
-
L-Dopa +2.865
DOPA
ME506278
-
C00355
2.865
-
L-Dopa +6.4378
DOPA
ME503707
-
C00355
6.4378
-
Lentiginosine
Lentiginosine
ME503386
-
C10155
1.5527143
-
Lentiginosine +1.216
Lentiginosine
ME506279
-
C10155
1.216
-
Lentiginosine +1.3425
Lentiginosine
ME505063
-
C10155
1.3425
-
Lentiginosine +1.603111
Lentiginosine
ME503159
-
C10155
1.603111
-
Lentiginosine +1.7634287
Lentiginosine
ME503387
-
C10155
1.7634287
-
Lentiginosine +6.376
Lentiginosine
ME506280
-
C10155
6.376
-
Lentiginosine +6.9515
Lentiginosine
ME503970
-
C10155
6.9515
-
Leontiformine
Leontiformine
ME506281
-
C10771
7.205
-
Lepidissipyrone
-
ME505064
-
-
5.44
-
Lepidissipyrone +5.579
-
ME506282
-
-
5.579
-
Letrozole
-
ME503971
-
C08163
1.33575
-
Letrozole +1.257
-
ME506283
-
C08163
1.257
-
Leu Ala
Leu-Ala
ME502991
-
-
4.135818
-
Leu Ala +3.6157498
Leu-Ala
ME503972
-
-
3.6157498
-
Leu Ala +6.465889
Leu-Ala
ME503160
-
-
6.465889
-
Leu Ala +7.3465
Leu-Ala
ME503267
-
-
7.3465
-
Leu Ala +7.388334
Leu-Ala
ME504303
-
-
7.388334
-
Leu Ala +7.8645
Leu-Ala
ME505065
-
-
7.8645
-
Leu Ala His
Leu-Ala-His
ME505066
-
-
4.1635
-
Leu Asp
Leu-Asp
ME503708
-
-
6.55
-
Leucomethylene blue (Reduced Methylene Blue)
-
ME505068
-
C05721
8.2005005
-
Leucyl-leucine
Leu-Leu
ME506285
-
C11332
1.258
-
Leu His Thr
Leu-His-Thr
ME505067
-
-
4.3655
-
Leukotriene F4
LTF4
ME503973
-
C06462
1.0627501
-
Leu Lys Tyr
Leu-Lys-Tyr
ME506284
-
-
1.331
-
Leupeptin
Leupeptin
ME502844
-
C01591
1.2392143
-
Leupeptin +1.1719999
Leupeptin
ME505069
-
C01591
1.1719999
-
Leupeptin +1.2569166
Leupeptin
ME502929
-
C01591
1.2569166
-
Leupeptin +1.3506
Leupeptin
ME503709
-
C01591
1.3506
-
Leu-Val-OH
-
ME505070
-
-
1.8245
-
Levetiracetam
Levetiracetam
ME506286
-
C07841
4.965
-
Levobunolol
-
ME504304
-
C07914
1.841
-
Levofuraltadone
-
ME505071
-
C19267
4.0065002
-
Levofuraltadone +3.7035
-
ME505072
-
C19267
3.7035
-
L-Glutamic acid dibutyl ester
-
ME503710
-
-
1.1508
-
L-Glutamic acid n-butyl ester
-
ME505073
-
-
6.0675
-
L-Glutamic acid n-butyl ester +1.175
-
ME506287
-
-
1.175
-
L-glycyl-L-hydroxyproline
L-Glycyl-L-hydroxyproline
ME505074
-
-
6.201
-
L-Histidinal
Histidinal
ME503974
-
C01929
3.211
-
L-Histidinal +4.192
Histidinal
ME506288
-
C01929
4.192
-
L-Histidinol
L-Histidinol
ME502512
-
C00860
3.7930388
-
L-Homotyrosine
Homotyrosine
ME504305
-
C18622
1.397
-
L-Homotyrosine +1.618
Homotyrosine
ME505075
-
C18622
1.618
-
L-Homotyrosine +6.0679994
Homotyrosine
ME503542
-
C18622
6.0679994
-
L-Homotyrosine +6.338
Homotyrosine
ME506289
-
C18622
6.338
-
L-Homotyrosine +6.7163334
Homotyrosine
ME504306
-
C18622
6.7163334
-
L-Homotyrosine +6.744867
Homotyrosine
ME502796
-
C18622
6.744867
-
Limocitrol 3-[alpha-L-arabinopyranosyl-(1-3)[galac...
-
ME506290
-
-
1.039
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME503268
-
C07271
1.1110001
-
Limonene-1,2-epoxide +1.141909
Limonene-1,2-epoxide
ME502582
-
C07271
1.141909
-
Linoleamide
Linoleamide
ME505076
-
-
1.1600001
-
Linoleamide +1.1988064
Linoleamide
ME502386
-
-
1.1988064
-
Linoleamide +1.2476562
Linoleamide
ME502349
-
-
1.2476562
-
Linoleamide +4.9425
Linoleamide
ME505077
-
-
4.9425
-
Linoleoyl Ethanolamide
Linoleoyl-EA
ME503711
-
-
1.2219999
-
Linoleoyl Ethanolamide +1.219
Linoleoyl-EA
ME506291
-
-
1.219
-
Liquiritigenin 7-apiofuranoside-4'-glucoside
-
ME506292
-
-
4.132
-
Lisinopril
Lisinopril
ME506293
-
C07077
9.224
-
L-isoleucyl-L-proline
Ile-Pro
ME503269
-
-
6.4434996
-
L-isoleucyl-L-proline +6.6362667
Ile-Pro
ME502797
-
-
6.6362667
-
L-isoleucyl-L-proline +8.121401
Ile-Pro
ME503712
-
-
8.121401
-
L-isoleucyl-L-proline +8.3212
Ile-Pro
ME503066
-
-
8.3212
-
Lithocholate 3-O-glucuronide
-
ME503270
-
C03033
6.77375
-
Lithocholic acid glycine conjugate
Glycolithocholic acid
ME503713
-
C15557
1.1824
-
lithocholic acid sulfate
Lithocholic acid sulfate
ME503161
-
-
6.1007786
-
lithocholic acid sulfate +6.186286
Lithocholic acid sulfate
ME503388
-
-
6.186286
-
lithocholic acid sulfate +6.2339997
Lithocholic acid sulfate
ME504307
-
-
6.2339997
-
lithocholic acid sulfate +6.3030005
Lithocholic acid sulfate
ME505078
-
-
6.3030005
-
L-Lysine
Lysine
ME503389
-
C00047
8.909429
-
L-Lysine +8.948
Lysine
ME505079
-
C00047
8.948
-
L-NIO
-
ME506294
-
-
5.052
-
L-O-Methylthreonine
-
ME502723
-
-
6.6881175
-
L-O-Methylthreonine +6.068
-
ME506295
-
-
6.068
-
L-O-Methylthreonine +7.0216
-
ME503714
-
-
7.0216
-
Lophophorine
Lophophorine
ME504308
-
C09573
1.4506668
-
Lophophorine +3.607
Lophophorine
ME506296
-
C09573
3.607
-
Lophophorine +3.997
Lophophorine
ME505080
-
C09573
3.997
-
Loxtidine
Loxtidine
ME506297
-
C11805
1.25
-
L-Prolinamide
Methionine (S)-S-oxide
ME502992
-
C19781
6.7332735
-
L-Prolinamide +6.06
Methionine (S)-S-oxide
ME505081
-
C19781
6.06
-
L-Prolinamide +6.068
Methionine (S)-S-oxide
ME505082
-
C19781
6.068
-
L-prolyl-L-glycine
Pro-Gly
ME502513
-
-
6.0787206
-
L-prolyl-L-glycine +5.375
Pro-Gly
ME503543
-
-
5.375
-
L-prolyl-L-proline
Pro-Pro
ME502930
-
-
6.9702506
-
L-prolyl-L-proline +2.6462
Pro-Pro
ME503715
-
-
2.6462
-
L-prolyl-L-proline +2.828
Pro-Pro
ME506298
-
-
2.828
-
Lucanthone
-
ME503975
-
C11715
1.77625
-
Lucidine B
Lucidine B
ME505083
-
C09869
1.0875001
-
Lumula
-
ME502387
-
-
1.335484
-
Lupanyl Acid
-
ME503544
-
-
6.015
-
L-Urobilin
L-Urobilin
ME502845
-
C05793
1.4493572
-
L-Urobilin +1.5038234
L-Urobilin
ME502724
-
C05793
1.5038234
-
L-Urobilin +1.684
L-Urobilin
ME506299
-
C05793
1.684
-
L-Urobilin +2.483
L-Urobilin
ME505084
-
C05793
2.483
-
L-Urobilin +5.948929
L-Urobilin
ME502846
-
C05793
5.948929
-
L-Urobilin +6.068
L-Urobilin
ME505085
-
C05793
6.068
-
L-Urobilinogen
L-Urobilinogen
ME502556
-
C05789
1.5166954
-
L-Urobilinogen +2.104
L-Urobilinogen
ME506300
-
C05789
2.104
-
L-Urobilinogen +6.666
L-Urobilinogen
ME506301
-
C05789
6.666
-
Lycorine
-
ME504309
-
-
6.852667
-
Lyngbyatoxin
-
ME503067
-
C15720
6.2002
-
Lys Arg Arg
Lys-Arg-Arg
ME505086
-
-
1.3285
-
Lys Arg Arg +1.25
Lys-Arg-Arg
ME506302
-
-
1.25
-
Lys Arg Ile
Lys-Arg-Ile
ME502931
-
-
6.086
-
Lys Glu Gln
Lys-Glu-Gln
ME502388
-
-
1.1671289
-
Lys Gly
Lys-Gly
ME503162
-
-
5.7071114
-
Lys Gly +6.484
Lys-Gly
ME506303
-
-
6.484
-
Lys His Leu
Lys-His-Leu
ME506304
-
-
1.367
-
Lysine
Lysine
ME505087
-
C16440
6.0620003
-
Lys Lys Lys
Lys-Lys-Lys
ME502993
-
-
1.0454545
-
Lys Lys Lys +1.227
Lys-Lys-Lys
ME503716
-
-
1.227
-
Lys Lys Met
Lys-Lys-Met
ME502557
-
-
5.8030434
-
Lys Met Lys
Lys-Met-Lys
ME503976
-
-
5.8015
-
LysoPC(14:1(9Z))
LPC 14:1(9Z)
ME506310
-
C04230
1.337
-
Lys Phe Gln
Lys-Phe-Gln
ME502633
-
-
1.2674001
-
Lys Phe Gln +1.32425
Lys-Phe-Gln
ME502932
-
-
1.32425
-
Lys Phe Gln +1.35
Lys-Phe-Gln
ME506305
-
-
1.35
-
Lys Ser Arg
Lys-Ser-Arg
ME502725
-
-
4.616118
-
Lys Thr Tyr
Lys-Thr-Tyr
ME503068
-
-
3.1305
-
Lys Thr Tyr +2.895
Lys-Thr-Tyr
ME506306
-
-
2.895
-
Lys Thr Tyr +2.898
Lys-Thr-Tyr
ME506307
-
-
2.898
-
Lys Trp Ile
Lys-Trp-Ile
ME503977
-
-
1.0985
-
Lys Tyr Gly
Lys-Tyr-Gly
ME506308
-
-
2.54
-
Lys Tyr Gly +2.542
Lys-Tyr-Gly
ME506309
-
-
2.542
-
M 344
-
ME505088
-
-
7.7655
-
Maculosin
Cyclo(Pro-Tyr)
ME505089
-
C10605
1.481
-
Madecassic Acid
-
ME504310
-
-
1.2613333
-
Magnoshinin
Magnoshinin
ME502933
-
C10658
1.14825
-
Makisterone A
-
ME504311
-
C16874
1.3223333
-
Makisterone A +1.48
-
ME506311
-
C16874
1.48
-
Malyngamide C acetate
-
ME506312
-
-
2.775
-
m-Aminophenol
-
ME502891
-
C05058
6.2761536
-
m-Aminophenol +4.968
-
ME504312
-
C05058
4.968
-
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME503717
-
C00561
1.2116
-
?-Mangostin
-
ME504406
-
C10080
1.4909999
-
MCI-186
-
ME502847
-
C13008
2.092214
-
Mebhydrolin
-
ME506313
-
-
8.553
-
Mebhydrolin +8.612
-
ME506314
-
-
8.612
-
Mebhydrolin +8.7225
-
ME505090
-
-
8.7225
-
Medroxyprogesterone glucuronide
-
ME505091
-
-
2.032
-
Mefenacet
-
ME505092
-
C14525
2.933
-
MEGA
-
ME503545
-
C11483
1.5701666
-
meglumine
-
ME505093
-
-
7.0325003
-
MeIQ
-
ME506315
-
C19254
1.475
-
MeIQ +1.189
-
ME506316
-
C19254
1.189
-
MeIQx
-
ME504313
-
C19255
7.831333
-
MeIQx +1.496
-
ME505094
-
C19255
1.496
-
MeIQx +4.1850004
-
ME505095
-
C19255
4.1850004
-
MeIQx +7.169
-
ME506317
-
C19255
7.169
-
Melamine
Melamine
ME506318
-
C08737
3.761
-
Melibiose
Melibiose
ME503069
-
C05402
6.0593
-
Melithiazole E
Cystothiazole A
ME505096
-
C15712
1.0445
-
Mepanipyrim
-
ME505097
-
C10919
1.5109999
-
Meperidine (pethidine)
Meperidine
ME506319
-
C07128
6.597
-
Mephenesin
-
ME502558
-
-
1.2072176
-
Mepronil
-
ME506320
-
C18548
6.212
-
Mequitazine
-
ME502798
-
C12755
2.9365335
-
Mequitazine +3.0796363
-
ME502994
-
C12755
3.0796363
-
Mequitazine +3.5794995
-
ME502687
-
C12755
3.5794995
-
Mequitazine +3.7178462
-
ME502892
-
C12755
3.7178462
-
Meradimate
-
ME506321
-
-
3.049
-
Mescaline
Mescaline
ME502893
-
C06546
1.2527692
-
Mescaline +1.457
Mescaline
ME506322
-
C06546
1.457
-
Mescaline +1.71
Mescaline
ME506323
-
C06546
1.71
-
Mescaline +7.1555
Mescaline
ME505098
-
C06546
7.1555
-
Mesobilirubinogen
Mesobilirubinogen
ME506324
-
C05790
1.248
-
Mesobilirubinogen +1.4195
Mesobilirubinogen
ME503271
-
C05790
1.4195
-
Mesobilirubinogen +1.4266667
Mesobilirubinogen
ME504314
-
C05790
1.4266667
-
Mesobilirubinogen +1.447
Mesobilirubinogen
ME506325
-
C05790
1.447
-
Mesobilirubinogen +1.4568094
Mesobilirubinogen
ME502608
-
C05790
1.4568094
-
Mesobilirubinogen +1.605
Mesobilirubinogen
ME506326
-
C05790
1.605
-
Mesobilirubinogen +5.965881
Mesobilirubinogen
ME502514
-
C05790
5.965881
-
Mesoporphyrin IX
-
ME506327
-
-
9.121
-
Metabutethamine
-
ME505102
-
C17723
6.2
-
Metabutethamine +6.25125
-
ME503272
-
C17723
6.25125
-
Metabutethamine +6.465
-
ME506329
-
C17723
6.465
-
Metabutethamine +9.2465
-
ME505103
-
C17723
9.2465
-
Metabutethamine +9.304
-
ME506330
-
C17723
9.304
-
Met Ala
Met-Ala
ME503546
-
-
1.3128333
-
Metalaxyl
Metalaxyl
ME504315
-
C10947
6.129
-
Metalaxyl +4.684
Metalaxyl
ME505104
-
C10947
4.684
-
Metalaxyl +6.3266664
Metalaxyl
ME503547
-
C10947
6.3266664
-
Metalaxyl +6.623
Metalaxyl
ME503273
-
C10947
6.623
-
Metamitron
-
ME503548
-
C10930
2.3843334
-
Metamitron +1.0929999
-
ME505105
-
C10930
1.0929999
-
Metamitron +1.813
-
ME505106
-
C10930
1.813
-
Metamitron +6.552
-
ME506331
-
C10930
6.552
-
Metanephrine
L-Metanephrine
ME504316
-
C05588
1.2906667
-
Met Asn
Met-Asn
ME505099
-
-
6.1485
-
Meteloidine
-
ME505107
-
C10861
3.6305
-
Meteloidine +7.0105
-
ME505108
-
C10861
7.0105
-
Metergoline
-
ME502656
-
-
5.570578
-
Met Gln Gln
Met-Gln-Gln
ME505100
-
-
4.056
-
Methacholine
Methacholine
ME502350
-
C07471
6.9397817
-
Methacholine +1.591
Methacholine
ME506332
-
C07471
1.591
-
?methasone valerate
-
ME502732
-
-
3.6741874
-
Methenamine
-
ME503718
-
-
7.5878005
-
Methicillin
-
ME504317
-
C07177
1.13
-
Methionine
Methionine
ME505109
-
C01733
6.0475
-
Methitural
Methitural
ME505110
-
C07558
4.435
-
Methocarbamol
Methocarbamol
ME506333
-
-
6.842
-
Methocarbamol +2.92
Methocarbamol
ME506334
-
-
2.92
-
Methoxyhydroxymethylhydrocinnamic acid
-
ME503719
-
-
1.175
-
Methsuximide
-
ME503274
-
-
5.309125
-
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-o...
-
ME503390
-
-
1.507
-
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
-
ME505111
-
-
1.108
-
methyl 13-sophorosyloxydocosanoate
-
ME506335
-
-
7.367
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
-
ME503978
-
C04698
5.684
-
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside ...
-
ME505112
-
C04698
1.77
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME506336
-
-
1.103
-
Methyl acetyl ricinoleate
-
ME502409
-
C12280
1.1292
-
Methyldopate
-
ME503979
-
-
6.5857496
-
Methyldopate +6.6475
-
ME505113
-
-
6.6475
-
Methyldopate +6.8044996
-
ME505114
-
-
6.8044996
-
Methyldopate +7.0251427
-
ME503391
-
-
7.0251427
-
Methyldopexamine sulfate
-
ME503392
-
-
1.411143
-
Methyldopexamine sulfate +1.4518001
-
ME503070
-
-
1.4518001
-
Methylenediurea
Methylenediurea
ME503549
-
C06381
3.5649998
-
Methyl-L-NIO
-
ME505115
-
-
6.511
-
Methyl o-methoxyhippuric acid
-
ME503720
-
-
7.1643996
-
Methylone
-
ME504318
-
C20126
1.3486667
-
Methylsulfomycin I
-
ME506337
-
C15741
1.039
-
Methylthiobenzoylglycine
-
ME505116
-
-
6.545
-
Methylthiouracil
Methylthiouracil
ME505117
-
C19265
7.7005
-
Met Lys Pro
Met-Lys-Pro
ME505101
-
-
1.596
-
Metochlopramide
Metoclopramide
ME505118
-
C07868
1.475
-
Met Thr
Met-Thr
ME506328
-
-
6.665
-
Mexacarbate
-
ME503393
-
C18952
6.3154287
-
Mexacarbate +6.3808002
-
ME503721
-
C18952
6.3808002
-
Mexacarbate +9.759
-
ME506338
-
C18952
9.759
-
MG(0:0/18:0/0:0)
MG 0:0/18:0/0:0
ME502351
-
-
1.108125
-
MG(0:0/20:3(11Z,14Z,17Z)/0:0)
MG 0:0/20:3(11Z,14Z,17Z)/0:0*
ME506339
-
-
1.081
-
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
MG 0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME503071
-
-
1.124
-
MG(16:0/0:0/0:0)[rac]
MG 16:0/0:0/0:0
ME502389
-
-
1.1182904
-
MG(16:1(9Z)/0:0/0:0)
MG 16:1(9Z)/0:0/0:0
ME506340
-
-
2.369
-
MG(18:0/0:0/0:0)
MG 18:0/0:0/0:0
ME506341
-
-
1.111
-
MG(18:1(9Z)/0:0/0:0)
MG 18:1(9Z)/0:0/0:0
ME502934
-
-
1.1549166
-
MG(20:1(11Z)/0:0/0:0)
MG 20:1(11Z)/0:0/0:0*
ME502726
-
-
4.306647
-
MG(22:1(13Z)/0:0/0:0)
MG 22:1(13Z)/0:0/0:0*
ME502688
-
-
4.2646666
-
MG(22:2(13Z,16Z)/0:0/0:0)
MG 22:2(13Z,16Z)/0:0/0:0*
ME505119
-
-
4.281
-
MGK 264
-
ME506342
-
C18795
2.951
-
Micropine
Micropine
ME506343
-
-
9.511
-
MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,...
-
ME503722
-
-
1.1506001
-
MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-1...
-
ME503550
-
-
1.182
-
MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-2...
-
ME502410
-
-
1.2401998
-
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydr...
-
ME503723
-
-
1.4328
-
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydr...
-
ME503163
-
-
1.4843333
-
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hyd...
-
ME502894
-
-
1.2633076
-
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hyd...
-
ME506344
-
-
1.318
-
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hyd...
-
ME502352
-
-
1.3370001
-
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovi...
-
ME502609
-
-
6.2512856
-
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavita...
-
ME502895
-
-
1.0327692
-
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavita...
-
ME506345
-
-
1.042
-
MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dime...
-
ME506346
-
-
1.403
-
MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dino...
-
ME503980
-
-
6.84225
-
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-t...
-
ME505120
-
-
1.84
-
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-e...
-
ME506347
-
-
2.858
-
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-e...
-
ME506348
-
-
3.072
-
Midodrine
Midodrine
ME503724
-
C07890
6.2244005
-
Midodrine +6.227
Midodrine
ME506349
-
C07890
6.227
-
Mikanin 3-O-sulfate
-
ME505121
-
-
1.574
-
Militarinone A
Militarinone A
ME502799
-
C12333
1.0910666
-
Militarinone B
Militarinone B
ME505122
-
C12334
4.205
-
Militarinone B +4.35
Militarinone B
ME505123
-
C12334
4.35
-
Miraxanthin-III
-
ME506350
-
C08556
1.207
-
Mitragynine
-
ME502689
-
C09226
1.3657777
-
Mitragynine +1.375
-
ME505124
-
C09226
1.375
-
MK 886
-
ME506351
-
-
5.663
-
ML-236C
ML 236C
ME506352
-
C14043
6.366
-
Monalide
-
ME503981
-
C19053
3.84925
-
Monocerin
-
ME505125
-
C09953
1.168
-
Monocrotaline
Monocrotaline
ME506353
-
C10350
4.525
-
Monocrotaline +4.686
Monocrotaline
ME506354
-
C10350
4.686
-
Monocrotaline +4.806
Monocrotaline
ME505126
-
C10350
4.806
-
Monocyclic botryococcane
-
ME505127
-
-
3.6145
-
Monoethyl phthalate
Monoethyl phthalate
ME505128
-
-
1.395
-
MRE-269
-
ME502657
-
-
1.2689474
-
MRE-269 +1.3205
-
ME505129
-
-
1.3205
-
MRE-269 +1.325591
-
ME502583
-
-
1.325591
-
Mucronine A
Mucronine A
ME506355
-
C10009
1.442
-
Mucronine B
Mucronine B
ME505130
-
C10010
5.7215004
-
Multifidol
Multifidol
ME502995
-
C10709
1.1763636
-
Multiflorine
-
ME505131
-
C10775
1.4305
-
Muscimol
Muscimol
ME502800
-
C08311
2.1568
-
Muscimol +3.425
Muscimol
ME504319
-
C08311
3.425
-
Muscimol +5.5670004
Muscimol
ME505132
-
C08311
5.5670004
-
Muscimol +5.958375
Muscimol
ME503275
-
C08311
5.958375
-
Muscimol +6.011
Muscimol
ME506356
-
C08311
6.011
-
Musk ambrette
-
ME503164
-
C19461
1.8363334
-
Musk xylene
-
ME505133
-
C19462
7.6415
-
Mycobactin S
Mycobactin S
ME503165
-
C12216
5.8028893
-
Mycolipenic acid (C25)
-
ME505134
-
-
1.157
-
Mycophenolate mofetil
Mycophenolate mofetil
ME505135
-
C07908
5.149
-
Mycosporine
Mycosporine
ME503166
-
C10607
7.9810004
-
Myristic Acid Alkyne
-
ME504320
-
-
1.126
-
Myristic Acid Alkyne +7.699
-
ME506357
-
-
7.699
-
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME502727
-
C03413
9.388353
-
N1,N4-Diacetylsulfanilamide
-
ME502353
-
-
1.1236874
-
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl a...
-
ME502801
-
-
6.057066
-
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl a...
-
ME506358
-
-
6.003
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME502728
-
C12986
6.238411
-
N2-Acetyl-L-ornithine
N-Acetylornithine
ME503984
-
C00437
7.7465
-
N2-Acetyl-L-ornithine +6.064
N-Acetylornithine
ME506366
-
C00437
6.064
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME503395
-
C04020
6.5020003
-
N-(3,4-Dichlorophenyl)-malonamate
-
ME505136
-
C04205
7.2530003
-
N-(3-Indolylacetyl)-L-isoleucine
-
ME505137
-
-
1.4289999
-
N-(3S-hydroxy-butanoyl)-homoserine lactone
-
ME505138
-
C11842
6.0655003
-
N-(3S-hydroxydecanoyl)-L-serine
-
ME506359
-
-
9.626
-
N-(3S-hydroxydecanoyl)-L-serine +9.627333
-
ME504321
-
-
9.627333
-
N-(4-benzenesulfonamide) arachidonoyl amine
-
ME506360
-
-
3.971
-
N5-Ethyl-L-glutamine
N(5)-Ethyl-glutamine
ME506368
-
C01047
2.152
-
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME506367
-
C04210
6.684
-
N6-(L-1,3-Dicarboxypropyl)-L-lysine
Saccharopine
ME506369
-
C00449
1.108
-
N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.863
Saccharopine
ME506370
-
C00449
6.863
-
N6-Methyl-2'-deoxyadenosine
N6-Methyl-2'-deoxyadenosine
ME505147
-
C03795
2.6645
-
N(6)-Methyllysine
N(6)-Methyllysine
ME503394
-
C02728
6.7585716
-
N(6)-(Octanoyl)lysine
-
ME505139
-
-
6.818
-
N(6)-(Octanoyl)lysine +6.592
-
ME506361
-
-
6.592
-
N8-Acetylspermidine
N8-Acetylspermidine
ME506371
-
C01029
4.555
-
N8-Acetylspermidine +8.93847
N8-Acetylspermidine
ME502729
-
C01029
8.93847
-
N8-Acetylspermidine +9.381
N8-Acetylspermidine
ME506372
-
C01029
9.381
-
N-a-Acetylcitrulline
N-Acetylcitrulline
ME505148
-
C15532
6.0605
-
N-Acetyl-8-O-methyl-Neuraminic acid
-
ME506373
-
-
2.1
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME505149
-
C12270
5.865
-
N-Acetyl-DL-methionine
N-Acetylmethionine
ME503551
-
-
2.0216665
-
N-Acetyl-D-phenylalanine
N-Acetylphenylalanine
ME504323
-
C03519
1.8403333
-
N-Acetyl-D-quinovosamine
-
ME504324
-
C15481
2.756667
-
N-Acetylimidazole
N-Acetylimidazole
ME502897
-
C02560
3.9674616
-
N-Acetylimidazole +3.9645
N-Acetylimidazole
ME505150
-
C02560
3.9645
-
N-Acetylimidazole +4.021
N-Acetylimidazole
ME506374
-
C02560
4.021
-
N-Acetylimidazole +7.701
N-Acetylimidazole
ME505151
-
C02560
7.701
-
N?-Acetyl-L-arginine
N-Acetylarginine
ME502533
-
-
7.549625
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME504325
-
C00624
1.0503334
-
N-(Acetyloxy)benzenamine
N-(Acetyloxy)benzenamine
ME503725
-
C02709
1.2432001
-
N-Acetyl-p-benzoquinonimine
-
ME505152
-
-
2.1275
-
N-Acetylserine
N-Acetylserine
ME505153
-
-
7.664
-
N-Acetylserotonin
N-Acetylserotonin
ME506375
-
C00978
1.351
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME506376
-
-
3.492
-
Nafoxidine
Nafoxidine
ME502763
-
C14212
5.7063756
-
Nafoxidine +5.652
Nafoxidine
ME506377
-
C14212
5.652
-
Naloxol
-
ME505154
-
-
1.625
-
N-alpha-Acetyl-L-2,4-diaminobutyrate
-
ME503726
-
C19929
7.2206
-
N-alpha-Acetyl-L-2,4-diaminobutyrate +2.5866666
-
ME504326
-
C19929
2.5866666
-
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME503072
-
C04335
6.7297006
-
N(alpha)-Benzyloxycarbonyl-L-leucine +6.272
N-Benzyloxycarbonyl-L-leucine
ME505140
-
C04335
6.272
-
N(alpha)-Benzyloxycarbonyl-L-leucine +6.433
N-Benzyloxycarbonyl-L-leucine
ME506362
-
C04335
6.433
-
N(alpha)-Benzyloxycarbonyl-L-leucine +6.9075003
N-Benzyloxycarbonyl-L-leucine
ME505141
-
C04335
6.9075003
-
N(alpha)-gamma-L-Glutamylhistamine
N(alpha)-gamma-Glutamylhistamine
ME502848
-
C04138
3.4057853
-
N(alpha)-gamma-L-Glutamylhistamine +3.2143333
N(alpha)-gamma-Glutamylhistamine
ME504322
-
C04138
3.2143333
-
N(alpha)-gamma-L-Glutamylhistamine +3.4955
N(alpha)-gamma-Glutamylhistamine
ME503982
-
C04138
3.4955
-
Nap-Nap-OH
-
ME505155
-
-
3.928
-
Nap-Nap-OH +3.0275002
-
ME505156
-
-
3.0275002
-
N-arachidonoyl alanine
-
ME502584
-
-
1.1445
-
Narcissidine
-
ME503167
-
C12184
1.3201112
-
NBD-FTY720 phenoxy
-
ME506378
-
-
1.475
-
N-Benzylformamide
N-benzylformamide
ME505157
-
C15561
4.9185
-
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME505158
-
C03710
4.0155
-
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
ME505159
-
C15344
4.2955
-
n-Butyl-2-cyanoacrylate
-
ME506379
-
C13415
1.436
-
n-Butyl-2-cyanoacrylate +6.556
-
ME506380
-
C13415
6.556
-
n-Butylbenzene
-
ME502354
-
C18150
1.1467187
-
N-Butylscopolamine metabolite
-
ME506381
-
-
1.366
-
N-Carboxyethyl-?-aminobutyric acid
-
ME502849
-
-
3.3494282
-
N-(Carboxymethyl)-D-alanine
-
ME502896
-
C03790
7.3265386
-
N-(Carboxymethyl)-D-alanine +7.365
-
ME506363
-
C03790
7.365
-
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone
-
ME506382
-
-
1.235
-
N-Cyclohexylformamide
N-Cyclohexylformamide
ME503396
-
C11519
6.082286
-
N-Cyclohexylformamide +5.6095
N-Cyclohexylformamide
ME505160
-
C11519
5.6095
-
N-Cyclohexylformamide +6.3184285
N-Cyclohexylformamide
ME503397
-
C11519
6.3184285
-
N-decanoyl-L-Homoserine lactone
-
ME503073
-
-
5.5036
-
N-depyridomethyl-Indinavir
-
ME506383
-
-
1.418
-
N-Desmethylclobazam
-
ME505161
-
-
2.0939999
-
N-Desmethylnefopam glucuronide
-
ME505162
-
-
2.82
-
N-Desmethyltolmetin
-
ME506384
-
-
6.056
-
N-D-Ribosylpurine
Nebularine
ME502730
-
C15586
3.0400004
-
N-D-Ribosylpurine +2.919
Nebularine
ME506385
-
C15586
2.919
-
Nefopam
-
ME505163
-
-
1.084
-
Neocnidilide
Neocnidilide
ME506386
-
C17002
4.032
-
Neolinderatone
-
ME506387
-
-
2.596
-
Neosakuranin
-
ME503168
-
-
4.022333
-
Neostigmine
Neostigmine
ME506388
-
C07258
6.57
-
Nerol
Nerol
ME505164
-
C09871
1.173
-
Netilmicin
Netilmicin
ME502355
-
C07657
4.2888126
-
NeuAcalpha2-3Galbeta-Cer(d18:1/26:1(17Z))
-
ME506389
-
-
5.699
-
Neurodazine
-
ME503985
-
-
1.95425
-
Neurodazine +1.8585
-
ME505165
-
-
1.8585
-
Neurodazine +6.0594997
-
ME505166
-
-
6.0594997
-
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME505167
-
C19872
2.4320002
-
Ngamma-Nitro-L-arginine
-
ME505168
-
C03417
1.3199999
-
N-Guanylhistamine
-
ME506390
-
C07454
5.536
-
N-Guanylhistamine +5.958
-
ME506391
-
C07454
5.958
-
NH-DVal(NMe)-Val-OMe
-
ME505169
-
-
5.7695
-
NH-DVal(NMe)-Val-OMe +5.679
-
ME506392
-
-
5.679
-
NH-DVal(NMe)-Val-OMe +8.442
-
ME506393
-
-
8.442
-
N-heptanoyl-homoserine lactone
N-Heptanoyl-homoserine lactone
ME506394
-
C11844
1.378
-
N-heptanoyl-homoserine lactone +1.4219999
N-Heptanoyl-homoserine lactone
ME505170
-
C11844
1.4219999
-
N-Histidyl-2-Aminonaphthalene (?NA)
-
ME506395
-
-
1.105
-
N-Hydroxy-1-aminonaphthalene
-
ME504327
-
C14789
2.0990002
-
N-Hydroxy-L-phenylalanine
-
ME505171
-
C19712
6.567
-
N-Hydroxy-L-phenylalanine +1.236
-
ME506396
-
C19712
1.236
-
N-Hydroxy-L-phenylalanine +1.4333999
-
ME503727
-
C19712
1.4333999
-
N-Hydroxy-L-phenylalanine +1.676
-
ME505172
-
C19712
1.676
-
N-Hydroxy-L-phenylalanine +1.965
-
ME506397
-
C19712
1.965
-
N-Hydroxy-L-phenylalanine +2.5025
-
ME505173
-
C19712
2.5025
-
N-Hydroxy-L-phenylalanine +3.36275
-
ME503986
-
C19712
3.36275
-
N-Hydroxy-L-phenylalanine +3.506
-
ME503276
-
C19712
3.506
-
N-Hydroxy-L-phenylalanine +3.58
-
ME506398
-
C19712
3.58
-
N-Hydroxy-L-phenylalanine +6.0332
-
ME503728
-
C19712
6.0332
-
N-Hydroxy-L-phenylalanine +6.2246666
-
ME504328
-
C19712
6.2246666
-
N-Hydroxy-L-phenylalanine +7.05725
-
ME503987
-
C19712
7.05725
-
N-Hydroxy-L-phenylalanine +7.1315002
-
ME502456
-
C19712
7.1315002
-
N-Hydroxy-L-phenylalanine +8.614
-
ME506399
-
C19712
8.614
-
N-Hydroxyl-tryptamine
N-Hydroxy-tryptamine
ME506400
-
C17203
2.388
-
N-Hydroxynorcocaine
-
ME504329
-
-
2.3806667
-
N-Hydroxypentobarbital
-
ME505174
-
-
7.2825
-
N-Hydroxypentobarbital +6.8005
-
ME503988
-
-
6.8005
-
Nicotinamide riboside
Nicotinamide riboside
ME505175
-
C03150
1.4165001
-
Nicotinamide riboside +1.4165001
Nicotinamide riboside
ME505176
-
C03150
1.4165001
-
Nicotinamide riboside +1.7692499
Nicotinamide riboside
ME503989
-
C03150
1.7692499
-
Nicotinamide riboside +6.307
Nicotinamide riboside
ME506401
-
C03150
6.307
-
Nicotinate D-ribonucleoside
D-Ribosylnicotinate
ME502690
-
C05841
6.5967216
-
Nigakilactone A
-
ME506402
-
C17012
1.343
-
Niguldipine
-
ME505177
-
C11236
1.337
-
N-isovalerylglycine
Isovalerylglycine
ME502802
-
-
2.1927335
-
N-isovalerylglycine +1.7674999
Isovalerylglycine
ME505178
-
-
1.7674999
-
N-isovalerylglycine +5.842
Isovalerylglycine
ME505179
-
-
5.842
-
N-isovalerylglycine +6.6409993
Isovalerylglycine
ME503552
-
-
6.6409993
-
Nitramine
N-Methyl-N-picrylnitramine
ME505180
-
C10163
1.1445
-
Nizatidine
Nizatidine
ME506403
-
C07270
1.071
-
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylh...
-
ME505181
-
-
4.407
-
N-Methylanthranilic Acid
2-(Methylamino)benzoic acid
ME503277
-
C03005
6.77425
-
N-methyl-Gabapentin
-
ME503398
-
-
1.2814286
-
N-methyl hexanamide
N-Methyl hexanamide
ME502764
-
-
8.942374
-
N-Methyltyramine
N-Methyltyramine
ME505182
-
C02442
3.0815
-
N-methylundec-10-enamide
-
ME502390
-
-
1.2440321
-
N-methylundec-10-enamide +1.1404444
-
ME503169
-
-
1.1404444
-
N-Monomethyl-2-aminoethylphosphonate
-
ME505183
-
C05679
3.1065001
-
N,N-Diethylphenylacetamide
-
ME503983
-
C10938
6.128
-
N,N-Diethylphenylacetamide +6.5725
-
ME505142
-
C10938
6.5725
-
N,N-Dihydroxy-L-phenylalanine
-
ME506364
-
C19715
2.502
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME505143
-
C04259
6.058
-
N-Nitrosodiethylamine
N-Nitrosodiethylamine
ME502473
-
C14422
6.0555935
-
N-Nitrosodiethylamine +6.187
N-Nitrosodiethylamine
ME506404
-
C14422
6.187
-
N-Nitrosodi-n-butylamine
-
ME503553
-
C19277
5.7596664
-
N-Nitrosodi-n-butylamine +5.868181
-
ME502585
-
C19277
5.868181
-
N-Nitrosodi-n-propylamine
-
ME505184
-
C19279
6.4685
-
N-Nitroso-N-ethylurea
-
ME506405
-
C19178
6.865
-
N-Nitroso-N-methylurethane
-
ME503990
-
C19301
3.4229999
-
N-nonanoyl-L-Homoserine lactone
-
ME505185
-
-
8.153
-
N-nonanoyl-L-Homoserine lactone +7.087
-
ME506406
-
-
7.087
-
Nobilin
-
ME506407
-
C09518
1.275
-
N,O-Didesmethylvenlafaxine
-
ME505144
-
-
5.6445
-
N,O-Didesmethylvenlafaxine +1.245
-
ME506365
-
-
1.245
-
N,O-Didesmethylvenlafaxine +4.611
-
ME505145
-
-
4.611
-
N,O-Didesmethylverapamil
-
ME505146
-
-
4.0205
-
N-oleoyl ethanolamine
Oleoyl-EA
ME504330
-
-
1.206
-
N-oleoyl GABA
N-Oleoyl GABA
ME502803
-
-
1.141
-
N-oleoyl isoleucine
N-Oleoyl isoleucine
ME506408
-
-
1.072
-
N-oleoyl phenylalanine
N-Oleoyl phenylalanine
ME503399
-
-
4.794857
-
Nonanoyl-CoA
Nonanoyl-CoA
ME505186
-
C01942
1.0120001
-
Nonanoyl-CoA +1.014
Nonanoyl-CoA
ME505187
-
C01942
1.014
-
Nonate
Nonate
ME505188
-
-
1.1775
-
Nonoxynol-9
Nonoxynol-9
ME503991
-
-
1.70675
-
Nordihydrocodeine
-
ME503554
-
-
1.1673334
-
Nordihydrocodeine +1.438
-
ME506409
-
-
1.438
-
Nordihydrocodeine +1.593
-
ME506410
-
-
1.593
-
Nordihydrocodeine +1.631
-
ME506411
-
-
1.631
-
Nordihydrocodeine +2.0882
-
ME503729
-
-
2.0882
-
Nordihydrocodeine +2.405
-
ME506412
-
-
2.405
-
Normeperidinic acid glucuronide
-
ME505189
-
-
2.7554998
-
Noroxymorphone
-
ME505190
-
-
2.1595001
-
Noroxymorphone +2.2745
-
ME505191
-
-
2.2745
-
Noruron
-
ME503400
-
C19111
6.9855714
-
Noruron +6.676
-
ME506413
-
C19111
6.676
-
N-palmitoyl alanine
N-Palmitoyl alanine
ME506414
-
-
1.077
-
N-palmitoyl glutamine
N-Palmitoyl glutamine
ME506415
-
-
1.115
-
N-palmitoyl glycine
N-Palmitoyl glycine
ME503730
-
-
1.2702
-
N-palmitoyl phenylalanine
N-Palmitoyl phenylalanine
ME505192
-
-
1.1535001
-
N-palmitoyl proline
N-Palmitoyl proline
ME503731
-
-
1.2823999
-
N-palmitoyl threonine
N-Palmitoyl threonine
ME506416
-
-
5.275
-
N-palmitoyl tyrosine
N-Palmitoyl tyrosine
ME503074
-
-
1.1794001
-
N-pentadecanoyl-L-Homoserine lactone
-
ME502850
-
-
5.4827147
-
n-Pentadecylamine
N-Pentadecylamine
ME502432
-
-
4.0770345
-
n-Pentadecylamine +4.1962
N-Pentadecylamine
ME503732
-
-
4.1962
-
N-Phenyl-2-naphthylamine
-
ME506417
-
C14694
1.329
-
N-stearoyl GABA
N-Stearoyl GABA
ME506418
-
-
1.059
-
N-stearoyl proline
N-Stearoyl proline
ME503278
-
-
1.26725
-
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME502935
-
-
4.7948337
-
N-stearoyl tyrosine +4.9166665
N-Stearoyl tyrosine
ME503170
-
-
4.9166665
-
N-tridecanoyl-L-Homserine lactone
-
ME504331
-
-
1.103
-
N-undecanoyl-L-Homoserine lactone
-
ME505193
-
-
6.5895
-
NVP-AEW541
-
ME506419
-
-
4.324
-
O-Acetylhomoserine
O-Acetyl-homoserine
ME505195
-
C01077
2.9745
-
O-Acetylhomoserine +2.481
O-Acetyl-homoserine
ME505196
-
C01077
2.481
-
O-Acetylserine
O-Acetylserine
ME506421
-
-
1.646
-
Obtusilic acid
-
ME502559
-
-
1.5574783
-
Obtusilic acid +1.143
-
ME505197
-
-
1.143
-
O-butanoyl-carnitine
CAR 4:0
ME502996
-
C02862
1.7389091
-
Octanoic acid, 3-amino-, (1)-
-
ME502560
-
-
6.3566084
-
Octanoic acid, 3-amino-, (1)- +10.194593
-
ME502474
-
-
10.194593
-
Octanoic acid, 3-amino-, (1)- +10.230333
-
ME504332
-
-
10.230333
-
Octylamine
Octylamine
ME505198
-
C01740
4.1955
-
Octylamine +4.388
Octylamine
ME503992
-
C01740
4.388
-
O-Desmethylvenlafaxine
Desvenlafaxine
ME505199
-
-
4.612
-
O-Desmethylverapamil
-
ME505200
-
-
4.016
-
O-?-D-Xylosylzeatin
O-beta-D-Xylosylzeatin
ME505194
-
C03300
6.059
-
O-?-D-Xylosylzeatin +6.123
O-beta-D-Xylosylzeatin
ME506420
-
C03300
6.123
-
O-hexanoyl-R-carnitine
CAR 6:0
ME504333
-
-
1.178
-
O-hexanoyl-R-carnitine +1.1413333
CAR 6:0
ME504334
-
-
1.1413333
-
Okadaic acid
Okadaic acid
ME505201
-
C01945
1.1035
-
Olanzapine
Olanzapine
ME505202
-
C07322
3.552
-
Olanzapine +3.5809999
Olanzapine
ME505203
-
C07322
3.5809999
-
Olanzapine +4.1235
Olanzapine
ME505204
-
C07322
4.1235
-
Olanzapine +4.129
Olanzapine
ME506422
-
C07322
4.129
-
Olanzapine +4.208
Olanzapine
ME506423
-
C07322
4.208
-
Olanzapine +4.27
Olanzapine
ME505205
-
C07322
4.27
-
Oleamide
Oleamide
ME502391
-
C19670
1.1569031
-
Oleandrose
-
ME506424
-
C08237
6.272
-
oleanolic acid 3-O-beta-D-glucosiduronic acid
-
ME504335
-
C08964
3.7156668
-
Oleoyl Ethyl Amide
Oleoyl-EA
ME502534
-
-
1.1257917
-
Oleoyl Ethyl Amide +1.1503334
Oleoyl-EA
ME504336
-
-
1.1503334
-
Olomoucine
-
ME505206
-
-
6.892
-
Olprinone
Olprinone hydrochloride
ME504337
-
C13546
1.9543333
-
Omeprazole sulfide
-
ME505207
-
-
1.4790001
-
Omeprazole sulfide +1.5044999
-
ME505208
-
-
1.5044999
-
Ondansetron
Ondansetron
ME506425
-
C07325
8.696
-
Ophiopogonin B
-
ME502804
-
C17038
5.5292664
-
O-propanoyl-carnitine
CAR 3:0
ME503401
-
C03017
6.675857
-
Ornaline
Nopalinic acid
ME505209
-
C01683
6.4445
-
Ornithine
Ornithine
ME506426
-
C01602
6.073
-
Orsellinic acid
Orsellinic acid
ME504338
-
C01839
6.2409997
-
Orsellinic acid +1.7
Ethyl benzoate
ME506427
-
C01839
1.7
-
ortho-Aminoazotoluene
-
ME503171
-
C19188
3.0575554
-
Orthoform
-
ME503733
-
C14171
7.6049995
-
Orthoform +6.8174996
-
ME503993
-
C14171
6.8174996
-
Orthothymotinic Acid
-
ME505210
-
-
3.5415
-
OTK
-
ME502691
-
-
5.383222
-
Otonecine
Otonecine
ME502658
-
C10356
6.8019996
-
Otonecine +2.2245
Otonecine
ME503555
-
C10356
2.2245
-
Otonecine +2.363857
Otonecine
ME503402
-
C10356
2.363857
-
Oxamflatin
-
ME505211
-
-
4.9535
-
Oxandrolone
Oxandrolone
ME502610
-
C07346
1.0970953
-
Oxethazaine
Oxethazaine
ME506428
-
C12552
1.334
-
Oxfendazole
-
ME505212
-
-
1.427
-
Oxidized dinoflagellate luciferin
Oxidized dinoflagellate luciferin
ME506429
-
C19705
1.41
-
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME505213
-
C03527
5.433
-
Oxidized Latia luciferin +8.955
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME506430
-
C03527
8.955
-
PA(13:0/18:3(6Z,9Z,12Z))
PA 13:0/18:3(6Z,9Z,12Z)*
ME505214
-
-
7.0585003
-
PA(13:0/18:3(6Z,9Z,12Z)) +7.2623334
PA 13:0/18:3(6Z,9Z,12Z)*
ME504339
-
-
7.2623334
-
PA(13:0/18:4(6Z,9Z,12Z,15Z))
PA 13:0/18:4(6Z,9Z,12Z,15Z)*
ME505215
-
-
4.83
-
PA(14:0/12:0)
PA 14:0/12:0*
ME506431
-
-
4.204
-
PA(17:0/22:0)
PA 17:0/22:0*
ME502851
-
-
1.1074286
-
PA(18:2(9Z,12Z)/0:0)
PA 18:2(9Z,12Z)/0:0*
ME506432
-
-
5.955
-
PA(18:2(9Z,12Z)/12:0)
PA 18:2(9Z,12Z)/12:0*
ME506433
-
-
3.981
-
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,...
PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME504340
-
-
5.6766667
-
Palmitic amide
Palmitamide
ME502586
-
-
1.1124545
-
Palmitic amide +1.1666669
Palmitamide
ME502692
-
-
1.1666669
-
Palmitic amide +3.7223332
Palmitamide
ME504341
-
-
3.7223332
-
Palmitoyl dopamine
-
ME503403
-
-
1.0924286
-
Palmitoyl N-Isopropylamide
-
ME504342
-
-
1.1396667
-
Palmityl Trifluoromethyl Ketone
-
ME506435
-
-
6.376
-
Palmityl Trifluoromethyl Ketone +1.11
-
ME506436
-
-
1.11
-
Panaxynol
-
ME505216
-
C17447
4.453
-
Pandamine
-
ME503734
-
C10012
6.428
-
Pantetheine
Pantetheine
ME505217
-
C00831
1.821
-
Pantothenic Acid
Pantothenic acid
ME502356
-
C00864
2.4959998
-
PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME506434
-
-
5.223
-
para-Benzoquinone dioxime
-
ME502392
-
C19345
2.6936452
-
para-Benzoquinone dioxime +1.734
-
ME505218
-
C19345
1.734
-
para-Benzoquinone dioxime +6.0573335
-
ME502936
-
C19345
6.0573335
-
para-Cresidine
-
ME503279
-
C19216
6.1921253
-
Paravallarine
-
ME505219
-
C10814
1.859
-
Pargyline
-
ME502634
-
C07414
5.67345
-
Pargyline +5.717
-
ME506437
-
C07414
5.717
-
Pargyline +6.3295
-
ME505220
-
C07414
6.3295
-
Patuletin 3-(2''-feruloylglucosyl)-(1-6)-[apiosyl-...
-
ME506438
-
-
1.011
-
p-Coumaroylputrescine
-
ME506439
-
C18326
6.387
-
PE(16:1(9Z)/0:0)
PE 16:1(9Z)/0:0
ME503404
-
-
5.9911423
-
PE(16:1(9Z)/0:0) +6.076
PE 16:1(9Z)/0:0
ME506440
-
-
6.076
-
PE(16:1(9Z)/0:0) +6.1692
PE 16:1(9Z)/0:0
ME503735
-
-
6.1692
-
PE(17:2(9Z,12Z)/0:0)
PE 17:2(9Z,12Z)/0:0*
ME505221
-
-
1.9265001
-
PE(18:1(9Z)/0:0)
LPE 18:1
ME505222
-
-
1.8364999
-
PE(18:3(9Z,12Z,15Z)/14:0)
PE 18:3(9Z,12Z,15Z)/14:0*
ME503172
-
-
5.002333
-
PE(18:3(9Z,12Z,15Z)/14:0) +5.02965
PE 18:3(9Z,12Z,15Z)/14:0*
ME502635
-
-
5.02965
-
PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE 18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME503994
-
-
7.6584997
-
PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))
PE 18:4(6Z,9Z,12Z,15Z)/19:1(9Z)*
ME504343
-
-
5.292333
-
PE(19:0/0:0)
LPE 19:0/0:0
ME505223
-
-
6.682
-
PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)*
ME502611
-
C00350
5.662334
-
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME504344
-
C00350
7.9533334
-
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.587
PE 20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME506441
-
C00350
7.587
-
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.655...
PE 20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME503405
-
C00350
7.655143
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PE 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME506442
-
-
2.536
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)*
ME506443
-
-
2.476
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) +2.706
PE 20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)*
ME506444
-
-
2.706
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z)*
ME503406
-
-
5.7965713
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)*
ME502693
-
-
5.410555
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5...
PE 20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)*
ME506445
-
-
5.378
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5...
PE 20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)*
ME503736
-
-
5.4258
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)...
PE 20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME506446
-
-
5.657
-
PE(9:0/9:0)[U]
PE 9:0/9:0
ME502997
-
-
6.2147274
-
PE(9:0/9:0)[U] +6.2961426
PE 9:0/9:0
ME503407
-
-
6.2961426
-
PE(9:0/9:0)[U] +6.3563333
PE 9:0/9:0
ME504345
-
-
6.3563333
-
PE(9:0/9:0)[U] +6.409
PE 9:0/9:0
ME506447
-
-
6.409
-
Pederin
-
ME503075
-
C15760
6.4322
-
Pefurazoate
-
ME505225
-
C18480
1.4530001
-
Pelargonyl acetic acid
-
ME505226
-
-
4.6485
-
(-)-Pellotine
-
ME503425
-
C09604
6.2114997
-
Penciclovir
Penciclovir
ME506448
-
C07417
1.695
-
Penicilloate
-
ME503996
-
-
6.0567503
-
PE-NMe(O-14:0/O-14:0)
-
ME503997
-
-
2.03825
-
Pentacarboxyl porphyrinogen III
-
ME503408
-
-
6.0552855
-
Pentahomomethionine
Pentahomomethionine
ME506449
-
C17229
6.534
-
Pentetic acid
-
ME505227
-
-
1.394
-
Pentobarbital
Pentobarbital
ME505228
-
C07422
6.9674997
-
PE(O-16:0/18:3(9Z,12Z,15Z))
PE O-16:0/18:3(9Z,12Z,15Z)*
ME505224
-
-
2.125
-
PE(O-18:0/0:0)
PE O-18:0/0:0*
ME503995
-
-
3.88975
-
Perflubron
-
ME502393
-
-
5.693806
-
Perflubron +5.657
-
ME506450
-
-
5.657
-
Perindoprilat lactam A
-
ME502998
-
-
1.5990001
-
Perindoprilat lactam A +1.43
-
ME503556
-
-
1.43
-
Perindoprilat lactam A +1.62
-
ME505231
-
-
1.62
-
Perindoprilat lactam A +7.4085
-
ME505232
-
-
7.4085
-
Perindopril lactam
-
ME505229
-
-
7.4785004
-
Perindopril lactam +7.535
-
ME505230
-
-
7.535
-
PF-622
-
ME506451
-
-
3.202
-
PG(12:0/15:0)
PG 12:0/15:0*
ME502357
-
-
1.0275002
-
PG(12:0/17:0)
PG 12:0/17:0*
ME502394
-
-
1.0235486
-
PG(12:0/17:0) +1.023
PG 12:0/17:0*
ME505233
-
-
1.023
-
PG(12:0/19:0)
PG 12:0/19:0*
ME502475
-
-
1.0219259
-
PG(12:0/20:4(5Z,8Z,11Z,14Z))
PG 12:0/20:4(5Z,8Z,11Z,14Z)*
ME506452
-
-
5.218
-
PG(14:0/18:3(9Z,12Z,15Z))
PG 14:0/18:3(9Z,12Z,15Z)*
ME505234
-
-
7.4545
-
PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME502561
-
-
1.1107826
-
PG(19:1(9Z)/0:0)
PG 19:1(9Z)/0:0*
ME505235
-
-
1.245
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PG 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME502358
-
-
1.0436875
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
PG 20:5(5Z,8Z,11Z,14Z,17Z)/20:0*
ME506453
-
-
1.838
-
PG(22:2(13Z,16Z)/0:0)
PG 22:2(13Z,16Z)/0:0*
ME506454
-
-
4.015
-
PG(O-20:0/0:0)
PG O-20:0/0:0*
ME506455
-
-
1.318
-
PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME503557
-
-
1.3355001
-
Phalaenopsine T
-
ME505236
-
C10361
6.863
-
Phe Ala Thr
Phe-Ala-Thr
ME506456
-
-
6.156
-
Phe Cys
Phe-Cys
ME505237
-
-
4.865
-
Phe Leu Glu
Phe-Leu-Glu
ME506457
-
-
6.177
-
Phe Leu Glu +6.177
Phe-Leu-Glu
ME506458
-
-
6.177
-
Phencyclidine
Phencyclidine
ME503076
-
C07575
3.0248
-
Phenformin
Phenformin
ME505242
-
C07673
6.4885
-
Phenformin +1.794
Phenformin
ME506459
-
C07673
1.794
-
Phenicarbazide
-
ME506460
-
C19498
7.866
-
Phenmedipham
-
ME503737
-
C18420
1.3953999
-
Phenmedipham +1.451
-
ME506461
-
C18420
1.451
-
Phenylacetylglycine dimethylamide
Ralgin
ME506462
-
C12958
8.591
-
Phenylbutyrylglutamine
Phenylbutyrylglutamine
ME505243
-
-
1.526
-
Phenylbutyrylglutamine +5.4903336
Phenylbutyrylglutamine
ME504346
-
-
5.4903336
-
Phenylephrine 3-O-sulfate
-
ME503998
-
-
1.04125
-
?-PHENYL-gamma-Aminobutyric Acid
-
ME503430
-
-
6.1443334
-
?-PHENYL-gamma-Aminobutyric Acid +1.4653333
-
ME503093
-
-
1.4653333
-
?-PHENYL-gamma-Aminobutyric Acid +1.473
-
ME505403
-
-
1.473
-
?-PHENYL-gamma-Aminobutyric Acid +5.30375
-
ME503762
-
-
5.30375
-
?-PHENYL-gamma-Aminobutyric Acid +6.8130007
-
ME502953
-
-
6.8130007
-
?-PHENYL-gamma-Aminobutyric Acid +6.8700004
-
ME504049
-
-
6.8700004
-
Phenyl glucuronide
Phenyl glucuronide
ME502999
-
-
1.2568182
-
Phenyl glucuronide +1.3334999
Phenyl glucuronide
ME503558
-
-
1.3334999
-
Phenylheptatriyne
-
ME506463
-
C08456
5.677
-
Phenyltoloxamine
-
ME505244
-
-
4.2060003
-
Phe Phe Gln
Phe-Phe-Gln
ME505238
-
-
5.386
-
Phe Phe Gln +5.729
Phe-Phe-Gln
ME505239
-
-
5.729
-
Phe Thr
Phe-Thr
ME505240
-
-
1.4965
-
Phe Thr Cys
Phe-Thr-Cys
ME505241
-
-
5.789
-
Philanthotoxin
-
ME504347
-
C20052
1.3496667
-
Phorbol 12-tiglate 13-decanoate
-
ME506464
-
C09157
8.166
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME502411
-
C13482
2.156533
-
Phosphoenol-4-deoxy-3-tetrulosonate
-
ME503999
-
C04309
6.8375
-
Phosphohydroxypyruvic acid
Phosphohydroxypyruvic acid
ME504348
-
C03232
6.8799996
-
p-Hydroxybenzyldesulphoglucosinolate
-
ME506465
-
C17240
1.704
-
P-Hydroxydesmethylgliquidone
-
ME504000
-
-
1.1825001
-
p-Hydroxydextroamphetamine
-
ME506466
-
-
4.683
-
p-Hydroxygliquidone
-
ME505245
-
-
1.181
-
p-Hydroxymexiletine
-
ME505246
-
-
7.649
-
p-Hydroxynorpseudoephedrine
-
ME504001
-
-
4.853
-
p-Hydroxynorpseudoephedrine +1.95375
-
ME504002
-
-
1.95375
-
p-Hydroxynorpseudoephedrine +3.0525715
-
ME503409
-
-
3.0525715
-
p-Hydroxynorpseudoephedrine +3.6155
-
ME505247
-
-
3.6155
-
Phyllalbine
-
ME506467
-
C10863
1.399
-
Phytophthora mating hormone alpha1
-
ME506468
-
-
1.392
-
Phytuberin
Phytuberin
ME505248
-
C09709
4.093
-
PI(12:0/12:0)
PI 12:0/12:0
ME502937
-
-
7.3225837
-
PI(12:0/12:0) +1.555
PI 12:0/12:0
ME506469
-
-
1.555
-
PI(12:0/12:0) +1.632
PI 12:0/12:0
ME506470
-
-
1.632
-
PI(12:0/12:0) +7.3607993
PI 12:0/12:0
ME503738
-
-
7.3607993
-
PI(12:0/12:0) +7.3865004
PI 12:0/12:0
ME505249
-
-
7.3865004
-
PI(12:0/12:0) +7.574
PI 12:0/12:0
ME506471
-
-
7.574
-
PI(12:0/15:0)
PI 12:0/15:0
ME505250
-
-
1.1099999
-
PI(12:0/20:4(5Z,8Z,11Z,14Z))
PI 12:0/20:4(5Z,8Z,11Z,14Z)*
ME506472
-
-
1.523
-
PI(13:0/21:0)
PI 13:0/21:0
ME506473
-
-
1.526
-
PI(15:0/18:4(6Z,9Z,12Z,15Z))
PI 15:0/18:4(6Z,9Z,12Z,15Z)*
ME502636
-
-
1.3359501
-
PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI 15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME502938
-
-
1.3369168
-
PI(18:0/16:1(9Z))
PI 18:0/16:1(9Z)
ME505251
-
-
1.517
-
PI(22:0/18:3(9Z,12Z,15Z))
PI 22:0/18:3(9Z,12Z,15Z)*
ME502359
-
-
1.0129687
-
PI(22:1(11Z)/0:0)
PI 22:1(11Z)/0:0
ME503000
-
-
7.1000905
-
PI(22:1(11Z)/0:0) +1.439
PI 22:1(11Z)/0:0
ME506474
-
-
1.439
-
PI(22:1(11Z)/0:0) +1.522
PI 22:1(11Z)/0:0
ME506475
-
-
1.522
-
PI(22:1(11Z)/0:0) +7.163
PI 22:1(11Z)/0:0
ME506476
-
-
7.163
-
PI(22:1(11Z)/0:0) +7.175916
PI 22:1(11Z)/0:0
ME502939
-
-
7.175916
-
PI(22:1(11Z)/0:0) +7.267
PI 22:1(11Z)/0:0
ME506477
-
-
7.267
-
PI(22:2(13Z,16Z)/0:0)
PI 22:2(13Z,16Z)/0:0*
ME503559
-
-
1.6891667
-
Picolinic acid
Picolinic acid
ME502412
-
C10164
4.072867
-
Picolinic acid +6.5986247
Picolinic acid
ME503280
-
C10164
6.5986247
-
Picrasin A
-
ME505252
-
C17049
1.4905
-
Picrasin C
-
ME506478
-
C08776
1.497
-
Picropodophyllotoxin Acetate
-
ME506479
-
-
1.163
-
Pikromycin
Pikromycin
ME503173
-
C11999
6.5443325
-
Pikromycin +1.9025
Pikromycin
ME505253
-
C11999
1.9025
-
Pikromycin +2.539
Pikromycin
ME506480
-
C11999
2.539
-
Pikromycin +3.2605
Pikromycin
ME505254
-
C11999
3.2605
-
Pilosine
-
ME502805
-
C10610
1.2093999
-
Pinacidil-N-Oxide
-
ME504004
-
-
1.3457501
-
Pinidine
Pinidine
ME506481
-
C10165
4.506
-
Pinidine +4.355
Pinidine
ME506482
-
C10165
4.355
-
Pinnasterol
-
ME505255
-
-
1.241
-
PI(O-16:0/16:0)
PI O-16:0/16:0
ME504003
-
-
1.33225
-
PIP(20:1(11Z)/18:2(9Z,12Z))
-
ME505256
-
C00626
1.1005
-
Piperideine
Piperideine
ME505257
-
C06181
6.5095
-
Piperidine
Piperidine
ME502457
-
C01746
5.67575
-
Piperidine +5.1966996
Piperidine
ME502637
-
C01746
5.1966996
-
Piperidine +5.9224
Piperidine
ME503739
-
C01746
5.9224
-
Piperidine +6.033
Piperidine
ME506483
-
C01746
6.033
-
Piperidine +6.3184996
Piperidine
ME504005
-
C01746
6.3184996
-
Piperidine +8.457042
Piperidine
ME502535
-
C01746
8.457042
-
Piperidione
Piperidione
ME503281
-
C17730
1.5265
-
Piperidione +1.1708
Piperidione
ME503077
-
C17730
1.1708
-
Piperidione +2.4236667
Piperidione
ME503560
-
C17730
2.4236667
-
Piperidione +2.718
Piperidione
ME502806
-
C17730
2.718
-
Piperonyl sulfoxide
-
ME506484
-
C19147
2.415
-
Piperyline
(E,E)-Trichostachine
ME504006
-
C10174
1.3824999
-
Piracetam
Piracetam
ME506485
-
D01914
5.55
-
Piracetam +4.735
Piracetam
ME506486
-
D01914
4.735
-
Pirbuterol
Pirbuterol
ME503174
-
C07807
8.450443
-
Pirbuterol +8.443
Pirbuterol
ME504349
-
C07807
8.443
-
Pirenperone
-
ME506487
-
-
2.12
-
Pirimicarb
Pirimicarb
ME502360
-
C11079
2.2457814
-
p-Lactophenetide
-
ME503078
-
C14262
1.5072
-
p-Lactophenetide +6.3553
-
ME503079
-
C14262
6.3553
-
p-Lactophenetide +6.45775
-
ME502940
-
C14262
6.45775
-
p-Lactophenetide +6.542
-
ME504350
-
C14262
6.542
-
Plastoquinol-9
Plastoquinol-9
ME506488
-
C16695
1.023
-
Plastoquinone-1
-
ME503740
-
C16694
1.9602001
-
Platydesmine
-
ME505258
-
C16721
5.208
-
Pleurostyline
-
ME505259
-
C10612
5.57
-
p-menthane skeleton
-
ME506489
-
-
4.266
-
Polidocanol
Polidocanol
ME503561
-
C13493
1.8218335
-
Poloxalene
-
ME502395
-
-
1.4360646
-
Polygonolide
-
ME506490
-
C09963
7.209
-
Polygonolide +1.253
-
ME505260
-
C09963
1.253
-
Polygonolide +1.7611666
-
ME503562
-
C09963
1.7611666
-
Populin
-
ME505261
-
C10823
1.3900001
-
Porphobilinogen
Porphobilinogen
ME506491
-
C00931
2.011
-
Powelline
-
ME502612
-
C12163
1.4918094
-
Powelline +6.5831666
-
ME503563
-
C12163
6.5831666
-
p-Phenetidine
-
ME502852
-
-
4.738785
-
Practolol
-
ME505262
-
C11696
3.7045002
-
pregnan-21-ol
Pregnan-21-ol
ME505263
-
C00892
1.2355
-
Presqualene diphosphate
Presqualene diphosphate
ME506492
-
C03428
4.589
-
Prilocaine
Prilocaine
ME503741
-
C07531
5.186
-
Proacacipetalin
-
ME505268
-
C08338
6.699
-
Pro Ala Gln
Pro-Ala-Gln
ME504351
-
-
4.5436664
-
Pro Arg Asn
Pro-Arg-Asn
ME502765
-
-
1.1016248
-
Procaterol
-
ME503176
-
-
1.5135555
-
Procaterol +1.2671667
-
ME503564
-
-
1.2671667
-
Procaterol +7.166
-
ME506498
-
-
7.166
-
Pro Glu
Pro-Glu
ME504352
-
-
5.3093333
-
Pro Gly Ile
Pro-Gly-Ile
ME505264
-
-
3.932
-
Pro Gly Phe
Pro-Gly-Phe
ME506493
-
-
2.845
-
Pro His Glu
Pro-His-Glu
ME505265
-
-
6.0585003
-
Prohydrojasmon
-
ME505269
-
C18538
1.2935
-
Prohydrojasmon +1.1158333
-
ME503565
-
C18538
1.1158333
-
Prohydrojasmon +1.1356667
-
ME503566
-
C18538
1.1356667
-
Pro Lys Ala
Pro-Lys-Ala
ME506494
-
-
2.159
-
Pro Lys Ala +2.412
Pro-Lys-Ala
ME506495
-
-
2.412
-
Pro Lys Gln
Pro-Lys-Gln
ME504007
-
-
1.758
-
Pro Lys Gln +2.158
Pro-Lys-Gln
ME506496
-
-
2.158
-
Promacyl
-
ME503742
-
C18955
1.254
-
Promacyl +1.308
-
ME506499
-
C18955
1.308
-
Promecarb
-
ME503081
-
C18956
6.3100996
-
Pro Phe Tyr
Pro-Phe-Tyr
ME505266
-
-
5.2714996
-
Propicillan
-
ME505270
-
C13110
1.38
-
Propiomazine
Propiomazine
ME505271
-
C07405
4.9665003
-
Propionyl-L-carnitine
CAR 3:0
ME503567
-
C03017
1.2073334
-
Propoxur
Propoxur
ME502941
-
C14334
6.623167
-
Propoxur +1.261
Propoxur
ME506500
-
C14334
1.261
-
Propoxur +1.4725001
Propoxur
ME505272
-
C14334
1.4725001
-
Propoxur +1.7019999
Propoxur
ME505273
-
C14334
1.7019999
-
Propoxur +6.72
Propoxur
ME506501
-
C14334
6.72
-
Propoxur +7.089
Propoxur
ME506502
-
C14334
7.089
-
Propranolol glucuronide
-
ME504353
-
-
1.3903333
-
Pro Pro Lys
Pro-Pro-Lys
ME504008
-
-
2.3925
-
Propylthiouracil
Propylthiouracil
ME506503
-
C07569
3.127
-
Prosafrinine
Prosafrinine
ME505274
-
-
5.303
-
Pro Ser Gly
Pro-Ser-Gly
ME503080
-
-
6.2986
-
Pro Ser Gly +6.4748883
Pro-Ser-Gly
ME503175
-
-
6.4748883
-
Prosopinine
Prosopinine
ME503743
-
-
1.3132
-
Prosopinine +1.1194999
Prosopinine
ME505275
-
-
1.1194999
-
Prostaglandin D2-biotin
-
ME505276
-
-
3.9984999
-
Prostaglandin D2-biotin +4.314
-
ME506504
-
-
4.314
-
Prostaglandin E2-biotin
-
ME505277
-
-
4.3295
-
Prothiocarb
-
ME505278
-
C18943
1.9575
-
Pro Val Asn
Pro-Val-Asn
ME506497
-
-
6.764
-
Pro Val Val
Pro-Val-Val
ME505267
-
-
6.719
-
PS(18:0/0:0)
LPS 18:0/0:0
ME506505
-
-
3.657
-
PS(18:0/0:0) +3.804
LPS 18:0/0:0
ME506506
-
-
3.804
-
PS(19:0/0:0)
LPS 19:0/0:0
ME503001
-
-
6.443182
-
PS(19:0/0:0) +1.196
LPS 19:0/0:0
ME506507
-
-
1.196
-
PS(19:0/0:0) +6.5103335
LPS 19:0/0:0
ME503568
-
-
6.5103335
-
PS(19:0/0:0) +6.55025
LPS 19:0/0:0
ME504009
-
-
6.55025
-
PS(19:0/0:0) +6.774
LPS 19:0/0:0
ME506508
-
-
6.774
-
PS(19:0/18:4(6Z,9Z,12Z,15Z))
PS 19:0/18:4(6Z,9Z,12Z,15Z)*
ME503744
-
-
1.1101999
-
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME504010
-
-
5.963
-
PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
PS 20:4(5Z,8Z,11Z,14Z)/18:1(9Z)*
ME506509
-
-
3.205
-
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PS 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME506510
-
-
1.335
-
PS(22:2(13Z,16Z)/0:0)
PS 22:2(13Z,16Z)/0:0*
ME506511
-
-
3.551
-
Pseudoephedrine
Pseudoephedrine
ME506514
-
C02765
5.904
-
Pseudopelletierine
psi-Pelletierine
ME502853
-
C10865
4.710857
-
Psicofuranine
Angustmycin C
ME506515
-
C05342
1.39
-
PSN632408
-
ME506516
-
-
1.703
-
PS(O-20:0/0:0)
PS O-20:0/0:0
ME502807
-
-
6.5535336
-
PS(O-20:0/0:0) +6.6311255
PS O-20:0/0:0
ME503282
-
-
6.6311255
-
PS(P-16:0/0:0)
PS P-16:0/0:0
ME506512
-
-
3.112
-
PS(P-16:0/17:2(9Z,12Z))
PS P-16:0/17:2(9Z,12Z)*
ME503177
-
-
5.203889
-
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME505279
-
-
5.9230003
-
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.925
PS P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME506513
-
-
5.925
-
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.932143
PS P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME503410
-
-
5.932143
-
PtdIns-(1,2-dihexanoyl)
-
ME505280
-
-
1.3375
-
Purine
Purine
ME506517
-
C15587
4.404
-
Purpureacin-1
-
ME502942
-
C08505
1.0275002
-
Pyocyanine
-
ME506518
-
C01748
4.494
-
Pyriculol
-
ME506519
-
C16788
6.367
-
Pyridostigmine
Pyridostigmine
ME505281
-
C07410
1.6925
-
Pyrimidine
Pyrimidine
ME506520
-
C00396
4.286
-
Pyrimidodiazepine
-
ME502638
-
C02587
3.3379502
-
Pyrimidodiazepine +3.382
-
ME504354
-
C02587
3.382
-
Pyroquilon
-
ME503283
-
C18487
4.683125
-
Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galac...
-
ME503411
-
-
1.9811428
-
Quinagolide
-
ME503284
-
-
1.266125
-
Quinagolide +2.93
-
ME506521
-
-
2.93
-
Quinamide Isopropylidene
-
ME505282
-
-
1.3045
-
Quinapril
-
ME506522
-
C07398
1.717
-
QX-314
-
ME505283
-
-
1.281
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid
-
ME505395
-
C02237
7.082
-
R-beta-methylphenylethylamine
-
ME506523
-
-
4.768
-
R-beta-methylphenylethylamine +4.814
-
ME506524
-
-
4.814
-
Reduced 2,6-Dichlorophenolindophenol
-
ME505284
-
C05720
2.7800002
-
Remikiren
-
ME502766
-
C07465
4.2962503
-
Remikiren +4.8105
-
ME505285
-
C07465
4.8105
-
Remikiren +4.86423
-
ME502497
-
C07465
4.86423
-
Remikiren +4.8683333
-
ME504355
-
C07465
4.8683333
-
Remikiren +5.3978
-
ME503745
-
C07465
5.3978
-
Retinoyl CoA
-
ME502587
-
-
1.0067729
-
Retinyl glucuronide
-
ME505286
-
-
1.9035
-
Retinyl glucuronide +2.5349998
-
ME505287
-
-
2.5349998
-
Retinyl glucuronide +3.2575002
-
ME505288
-
-
3.2575002
-
Retronecine
Retronecine
ME502943
-
C06177
2.9596665
-
Retronecine +1.619
Retronecine
ME506525
-
C06177
1.619
-
Retusoquinone
-
ME506526
-
-
2.931
-
(R)-Flurbiprofen
-
ME502952
-
-
2.378909
-
Riboflavin (Vitamin B2)
Riboflavin
ME504011
-
C00255
2.969
-
Ribonic acid
Ribonic acid
ME502767
-
C01685
1.049875
-
Ricinine
Ricinine
ME503412
-
C01526
7.8818564
-
Rifamycin
Rifamycin
ME505289
-
C12044
1.1015
-
Rilmenidine
Rilmenidine
ME505290
-
C11120
7.418
-
Rinderine
-
ME506527
-
C10378
6.662
-
Ripazepam
-
ME506528
-
C19518
2.116
-
Rishitin
Rishitin
ME505291
-
C09715
1.2509999
-
Rishitin +1.6135
Rishitin
ME504012
-
C09715
1.6135
-
Ritanserin
-
ME502854
-
-
1.0325714
-
Rivastigmine
Rivastigmine
ME505292
-
C11766
9.106
-
Rivastigmine +6.087
Rivastigmine
ME506529
-
C11766
6.087
-
Rivastigmine +9.18
Rivastigmine
ME506530
-
C11766
9.18
-
RO 40-5966 (Methylmibefradil Metabolite)
-
ME502433
-
-
6.4008975
-
Rosaniline
-
ME506531
-
C19252
0.816
-
Rosaniline +1.3466667
-
ME504356
-
C19252
1.3466667
-
Rosmarinine
Rosmarinine
ME505293
-
C10380
2.1985
-
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol
-
ME504044
-
C15463
4.471
-
(R,S)-Nicotine
Nicotine
ME505396
-
C16150
7.368
-
RU-0211
Lubiprostone
ME506532
-
C13707
5.934
-
Rubraflavone C
-
ME502808
-
-
9.347866
-
Rubraflavone C +9.3562
-
ME503746
-
-
9.3562
-
(S)-(-)-1,1'-Bi-2-naphthol
-
ME505397
-
-
6.4
-
S-(2,4-Dinitrophenyl)glutathione
S-(2,4-Dinitrophenyl)glutathione
ME506533
-
C11175
2.923
-
(S)-2-Ethyl-3-hydroxypropionic acid
-
ME504045
-
-
6.2083335
-
S-2-Octenoyl CoA
-
ME503082
-
-
1.0182
-
(S)-3'-Hydroxycoclaurine
-
ME504046
-
C06519
1.251
-
S-Allyl-L-cysteine
S-Allylcysteine
ME504357
-
C16759
5.747667
-
Samandarine
Samandarine
ME505294
-
C19950
4.5614996
-
Saquinavir
-
ME506535
-
C07243
1.225
-
Sarracine
-
ME506536
-
C10383
1.621
-
(S)-ATPA
(S)-ATPA
ME503092
-
C13733
3.1354444
-
(S)-ATPA +7.0475
(S)-ATPA
ME504401
-
C13733
7.0475
-
(S)-ATPA +7.7368
(S)-ATPA
ME503584
-
C13733
7.7368
-
SB 200646
-
ME505295
-
C11739
1.479
-
SB 218655
-
ME506537
-
C14316
1.703
-
(S)-b-amino-isobutyric acid
beta-Aminoisobutyric acid
ME503429
-
C03284
6.686333
-
(S)-b-amino-isobutyric acid +1.871
beta-Aminoisobutyric acid
ME504402
-
C03284
1.871
-
(S)-beta-Methylindolepyruvate
-
ME504403
-
C03914
5.5965004
-
Scarlet Red
-
ME505296
-
C19520
2.791
-
Schizandrin
-
ME506538
-
C17064
2.777
-
Scopolamine
Scopolamine
ME505297
-
C01851
1.4705
-
Scopolamine N-oxide
-
ME505298
-
-
2.2085
-
Scopolamine N-oxide +2.4082859
-
ME503413
-
-
2.4082859
-
Scorpioidin
Scorpioidin
ME505299
-
C09548
4.7105
-
Secbumeton
-
ME503747
-
C19106
6.6774
-
Secbumeton +1.562
-
ME506539
-
C19106
1.562
-
Secbumeton +7.403
-
ME506540
-
C19106
7.403
-
Secnidazole
-
ME503569
-
-
3.522667
-
Secnidazole +3.6115
-
ME505300
-
-
3.6115
-
Secnidazole +6.133714
-
ME503414
-
-
6.133714
-
Secnidazole +6.5833335
-
ME504358
-
-
6.5833335
-
Secnidazole +6.6741304
-
ME502562
-
-
6.6741304
-
Secogalioside
Secogalioside
ME506541
-
C11674
2.876
-
sec-o-Glucosylhamaudol
-
ME505301
-
C17484
1.668
-
(-)-Sedamine
-
ME505380
-
C10171
4.537
-
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide
-
ME506534
-
C08295
1.857
-
Ser Asp Met
Ser-Asp-Met
ME504013
-
-
1.039
-
Ser-Gly-OH
-
ME505304
-
-
4.413
-
Ser His His
Ser-His-His
ME505302
-
-
1.276
-
Sericetin Diacetate
-
ME504014
-
-
1.18175
-
Sericetin Diacetate +1.185
-
ME504359
-
-
1.185
-
(+)-Serradiol
-
ME505382
-
-
1.077
-
Serratanidine
-
ME505305
-
C09899
1.7195001
-
Serratine
Serratine
ME505306
-
C09901
5.6595
-
Serratine +5.478
Serratine
ME506543
-
C09901
5.478
-
Ser Ser Ser
Ser-Ser-Ser
ME505303
-
-
3.2325
-
Ser Tyr Glu
Ser-Tyr-Glu
ME506542
-
-
5.786
-
Sethoxydim
-
ME502944
-
C18539
1.5755835
-
Sibutramine
Sibutramine
ME506544
-
C07247
1.351
-
Simvastatin-6'-carboxylic acid
-
ME505307
-
-
1.859
-
Slaframine
Slaframine
ME505308
-
C06185
1.8529999
-
Sobetirome
-
ME504015
-
C15618
1.347
-
Solanidine
Solanidine
ME502809
-
C06543
4.241467
-
Solanine
-
ME502855
-
C10820
5.7036433
-
Songorine
Songorine
ME505309
-
C08707
7.6175003
-
Songorine +2.121
Songorine
ME506545
-
C08707
2.121
-
Songorine +2.774
Songorine
ME506546
-
C08707
2.774
-
Sophoranone
Sophoranone
ME503178
-
C08719
3.1966667
-
Soraphen O
-
ME503285
-
C15818
1.1363751
-
Sotalol
Sotalol
ME505310
-
C07309
5.3315
-
Spectinomycin adenylate
-
ME502498
-
C03580
1.0197694
-
Sphaerodiene
-
ME505311
-
-
5.7285004
-
Sphingofungin E
Sphingofungin E
ME503570
-
-
1.0939999
-
(S)-Piperazine-2-carboxamide
-
ME504047
-
C19782
5.0583334
-
(S)-Piperazine-2-carboxylic acid
-
ME503190
-
C19783
7.03475
-
(S)-Piperidine-2-carboxamide
-
ME502617
-
C19809
9.25995
-
(S)-Piperidine-2-carboxamide +9.182401
-
ME503585
-
C19809
9.182401
-
(S)-Piperidine-2-carboxamide +9.334
-
ME505398
-
C19809
9.334
-
Spiperone
-
ME505312
-
-
5.5985003
-
Spirolucidine
-
ME502613
-
C09903
1.1473811
-
Spisulosine
Spisulosine
ME505313
-
-
4.0544996
-
Spongipregnoloside D
-
ME505314
-
-
1.088
-
(-)-Spruceanol
-
ME504384
-
C09188
1.392
-
Stearamide
Stearamide
ME502396
-
C13846
1.1284193
-
Stearidonic Acid methyl ester
-
ME502536
-
-
1.0822083
-
stigmast-25-en-3?-ol
-
ME506547
-
-
1.289
-
stigmast-25-en-3?-ol +1.4
-
ME505315
-
-
1.4
-
Stovaine
Amylocaine
ME504016
-
C14169
1.277
-
Stovaine +4.037
Amylocaine
ME506548
-
C14169
4.037
-
Stovaine +4.0792503
Amylocaine
ME504017
-
C14169
4.0792503
-
Streptamine 4-phosphate
Streptamine 4-phosphate
ME502694
-
C03433
1.0465
-
Streptobiosamine
Streptobiosamine
ME506549
-
C07655
6.071
-
Strophanthidin Semicarbazide
-
ME505316
-
-
1.894
-
Styrene
Styrene
ME503179
-
C07083
4.5720005
-
Styrene +1.152
Styrene
ME506550
-
C07083
1.152
-
SU 5416
-
ME505317
-
-
4.796
-
SU 5416 +3.052
-
ME506551
-
-
3.052
-
Succinylmonocholine
-
ME506552
-
-
1.225
-
Sucralose
Sucralose
ME503748
-
C12285
1.4248002
-
Sulfaphenazole
Sulfaphenazole
ME506553
-
D01954
1.064
-
Sunitinib
-
ME506554
-
D06402
2.011
-
Supinidine
-
ME503415
-
C10400
1.3622856
-
Suxibuzone
-
ME505318
-
-
2.4194999
-
Swietenidin B
-
ME506555
-
C10741
1.324
-
Symphytine
-
ME502695
-
C10409
5.425945
-
Syringolin A
-
ME502588
-
C15701
6.368228
-
Tabernamine
-
ME506556
-
C09242
3.777
-
tachysterol3
-
ME502945
-
-
1.0775833
-
Tacrolimus
Tacrolimus
ME506557
-
C01375
1.865
-
Tacrolimus +2.012
Tacrolimus
ME506558
-
C01375
2.012
-
Tacrolimus +7.75
Tacrolimus
ME504360
-
C01375
7.75
-
Talatizamine
Talatizamine
ME504361
-
C08713
1.2466668
-
Taurine
Taurine
ME503286
-
C00245
5.4113746
-
Tauroursocholic acid
Tauroursocholic acid
ME502946
-
-
3.76025
-
Tauroursocholic acid +3.101
Tauroursocholic acid
ME503749
-
-
3.101
-
Tauroursocholic acid +3.234
Tauroursocholic acid
ME506559
-
-
3.234
-
Tauroursocholic acid +3.881875
Tauroursocholic acid
ME502768
-
-
3.881875
-
Tauroursocholic acid +3.9862664
Tauroursocholic acid
ME502810
-
-
3.9862664
-
Tecomine
-
ME505319
-
C09988
4.7415
-
Tecostanine
Tecostanine
ME505320
-
C09989
5.1870003
-
Tegaserod
Tegaserod
ME504362
-
-
1.2043333
-
Telithromycin
Telithromycin
ME505321
-
C12009
1.047
-
Tenovin-6
-
ME503180
-
-
3.3360002
-
Tenovin-6 +3.4905
-
ME504018
-
-
3.4905
-
Tenuazonic acid
Tenuazonic acid
ME505322
-
C08511
1.5935
-
(+)-Tephropurpurin
-
ME504385
-
-
6.057
-
Teprenone
-
ME504019
-
C13297
1.5799999
-
Terbucarb
-
ME505323
-
C19129
4.4575
-
Testosterone phenylpropionate
-
ME505324
-
C14667
4.355
-
tetradeca-13-en-2,4-diyn-1-ol
-
ME504020
-
-
1.1235
-
Tetradecanoylcarnitine
CAR 14:0
ME506560
-
-
1.102
-
Tetradecylamine
Tetradecylamine
ME502361
-
-
4.105438
-
Tetradecylamine +4.2875004
Tetradecylamine
ME505325
-
-
4.2875004
-
Tetrahexosylceramide (d18:1/9Z-18:1)
-
ME506561
-
C03272
5.704
-
Tetralin
Tetralin
ME506562
-
C14114
1.261
-
Tetranor-PGEM-d6
Tetranor-PGEM
ME505326
-
-
1.269
-
Tetranor-PGF1alpha
Tetranor-PGF1alpha
ME502856
-
-
1.2044998
-
Tetranor-PGF1alpha +1.213
Tetranor-PGF1alpha
ME506563
-
-
1.213
-
Tetranor-PGF1alpha +1.21375
Tetranor-PGF1alpha
ME504021
-
-
1.21375
-
Tetranor-PGF1alpha +4.7539997
Tetranor-PGF1alpha
ME505327
-
-
4.7539997
-
TG(10:0/10:0/10:0)
TG 10:0/10:0/10:0
ME505328
-
-
1.0174999
-
TG(14:0/14:0/14:0)
TG 14:0/14:0/14:0
ME506564
-
-
1.05
-
TG(15:0/18:2(9Z,12Z)/16:0)[iso6]
TG 15:0/18:2(9Z,12Z)/16:0*
ME506565
-
-
1.102
-
TG(15:0/20:1(11Z)/14:0)[iso6]
TG 15:0/20:1(11Z)/14:0*
ME506566
-
-
1.163
-
TG(16:0/14:0/16:0)[iso3]
TG 16:0/14:0/16:0
ME506567
-
-
1.116
-
TG(16:0/14:0/16:1(9Z))[iso6]
TG 16:0/14:0/16:1(9Z)*
ME506568
-
-
1.083
-
TG(16:0/14:0/18:0)[iso6]
TG 16:0/14:0/18:0*
ME506569
-
-
1.171
-
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]
TG 16:0/16:1(9Z)/20:2(11Z,14Z)*
ME506570
-
-
1.118
-
TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6]
TG 16:0/18:3(9Z,12Z,15Z)/20:0*
ME506571
-
-
1.19
-
TG(16:1(9Z)/14:0/18:1(9Z))[iso6]
TG 16:1(9Z)/14:0/18:1(9Z)*
ME506572
-
-
1.082
-
TG(16:1(9Z)/17:0/17:1(9Z))[iso6]
TG 16:1(9Z)/17:0/17:1(9Z)*
ME504022
-
-
1.11625
-
TG(16:1(9Z)/18:0/18:1(9Z))[iso6]
TG 16:1(9Z)/18:0/18:1(9Z)*
ME503571
-
-
1.1851667
-
TG(16:1(9Z)/18:0/18:1(9Z))[iso6] +1.207
TG 16:1(9Z)/18:0/18:1(9Z)*
ME506573
-
-
1.207
-
TG(17:0/17:0/17:2(9Z,12Z))[iso3]
TG 17:0/17:0/17:2(9Z,12Z)*
ME506574
-
-
1.144
-
TG(18:0/14:0/16:1(9Z))[iso6]
TG 18:0/14:0/16:1(9Z)*
ME503750
-
-
1.1138
-
TG(18:0/14:0/18:1(9Z))[iso6]
TG 18:0/14:0/18:1(9Z)*
ME503751
-
-
1.2012
-
TG(18:0/16:0/18:1(11Z))[iso6]
TG 18:0/16:0/18:1(11Z)*
ME506575
-
-
1.348
-
TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
TG 18:0/18:1(9Z)/18:3(9Z,12Z,15Z)*
ME506576
-
-
1.112
-
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]
TG 18:1(9Z)/14:0/18:2(9Z,12Z)*
ME506577
-
-
1.085
-
TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]
TG 18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z)*
ME503416
-
-
1.0748571
-
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,...
TG 18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)*
ME502434
-
-
5.6913095
-
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,...
TG 18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)*
ME504363
-
-
5.7100005
-
TG(8:0/8:0/8:0)
TG 8:0/8:0/8:0
ME502731
-
C13044
1.0387647
-
THA
THA
ME502947
-
-
1.0845834
-
THA +1.05075
THA
ME504023
-
-
1.05075
-
THA +1.096
THA
ME506578
-
-
1.096
-
THA +1.335815
THA
ME502476
-
-
1.335815
-
Thalsimine
-
ME503572
-
C09661
1.36
-
Thalsimine +1.4256
-
ME503752
-
C09661
1.4256
-
Thalsimine +1.717
-
ME506579
-
C09661
1.717
-
Thapsigargin
Thapsigargin
ME505329
-
C09561
3.619
-
Thapsigargin +3.667
Thapsigargin
ME506580
-
C09561
3.667
-
Thiothixene
-
ME505330
-
D00374
6.8815002
-
Thr Ala Thr
Thr-Ala-Thr
ME506581
-
-
6.246
-
Thr Ala Thr +6.4452496
Thr-Ala-Thr
ME504024
-
-
6.4452496
-
Thr Gly Ser
Thr-Gly-Ser
ME505331
-
-
4.5395
-
Thr Gly Ser +7.7
Thr-Gly-Ser
ME505332
-
-
7.7
-
Thr Ile
Thr-Ile
ME505333
-
-
7.8190002
-
Thr Leu
Thr-Leu
ME503417
-
-
6.245
-
Thromboxanoic acid skeleton
-
ME502696
-
-
1.1838889
-
THTA
2-Tetrahydrothiopheneacetic acid
ME504364
-
C11072
2.8256667
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME502898
-
C11074
6.046231
-
THTC +3.40475
Tetrahydrothiophene-2-carboxylic acid
ME503287
-
C11074
3.40475
-
Thymine
Thymine
ME504025
-
C00178
1.5730001
-
Todralazine
-
ME506582
-
-
7.123
-
Tolbutamide
Tolbutamide
ME506583
-
C07148
4.186
-
Tolnaftate
Tolnaftate
ME505334
-
-
1.3050001
-
Tolperisone
-
ME506584
-
-
3.251
-
Toluene
Toluene
ME503753
-
C01455
1.1581999
-
Toluene +1.144
Toluene
ME505335
-
C01455
1.144
-
Totarol-19-Carboxylic Acid
-
ME504026
-
-
2.1025
-
Totarol-19-Carboxylic Acid +1.8885
-
ME505336
-
-
1.8885
-
Toxoflavine
-
ME505337
-
C16789
2.4134998
-
Trandolaprilat
-
ME505338
-
-
6.4715
-
Trandolapril glucuronide
-
ME506585
-
-
3.909
-
Trandolapril lactam (RU 46178)
-
ME504365
-
-
6.0826664
-
trans-2-Phenylcyclopropanecarboxylic acid
-
ME502413
-
C15419
1.1248668
-
trans-2-Phenylcyclopropanecarboxylic acid +1.06688...
-
ME502697
-
C15419
1.0668889
-
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[...
-
ME506586
-
C19490
1.767
-
trans-3-Aminocyclopentane-1-carboxylic acid
-
ME502435
-
C13696
6.523
-
(+)-trans-allethrin
-
ME503186
-
-
6.65425
-
Traumatic Acid
Traumatic acid
ME504027
-
C16308
1.26275
-
Triamcinolone hexacetonide
Triamcinolone hexacetonide
ME504366
-
C08185
1.068
-
Triangularine
-
ME506587
-
C10410
1.467
-
Triazamate
Triazamate
ME505339
-
C18770
5.4755
-
Triazamate +8.6145
Triazamate
ME505340
-
C18770
8.6145
-
TRIBOA
TRIBOA
ME506588
-
C15771
0.921
-
Tributyl phosphate
Tributyl phosphate
ME502362
-
C14439
1.1108124
-
Tricaine
-
ME502614
-
C18090
5.83381
-
Tricaine +3.332
-
ME506589
-
C18090
3.332
-
Tricaine +6.3742223
-
ME503181
-
C18090
6.3742223
-
Tricaine +7.3739996
-
ME505341
-
C18090
7.3739996
-
Tricaine +7.961625
-
ME503288
-
C18090
7.961625
-
Trichostatin A
-
ME502899
-
-
1.2716923
-
Trichostatin A +1.3358667
-
ME502811
-
-
1.3358667
-
Trichostatin A +1.4079999
-
ME503573
-
-
1.4079999
-
Trichostatin A +1.651
-
ME506590
-
-
1.651
-
Trichostatin A +1.7003335
-
ME503574
-
-
1.7003335
-
Trichostatin A +2.29025
-
ME504028
-
-
2.29025
-
Trichostatin A +2.4312
-
ME503754
-
-
2.4312
-
Trichostatin A +6.1394997
-
ME505342
-
-
6.1394997
-
Trichostatin A +6.204
-
ME506591
-
-
6.204
-
Trichostatin A +6.2479997
-
ME503002
-
-
6.2479997
-
Trichostatin A +6.292
-
ME504029
-
-
6.292
-
Trichothecin
-
ME505343
-
C09742
1.856
-
Trichothecin +2.454
-
ME506592
-
C09742
2.454
-
Tricin 7-neohesperidoside
-
ME506593
-
-
1.027
-
Tridesacetoxykhivorin
-
ME505344
-
-
1.3635
-
Trilauroyl-glycerol
TG 14:0/14:0/14:0
ME502477
-
-
1.0214444
-
Trillenogenin
-
ME505345
-
-
2.0809999
-
Trimedlure
-
ME505346
-
-
1.7075
-
Trimethylaminoacetone
Trimethylaminoacetone
ME502900
-
-
5.6770773
-
Trimethylolpropane triacrylate
-
ME503083
-
C14537
1.1291001
-
Trinexapac-ethyl
-
ME503575
-
C18541
7.087667
-
Triphenylphosphine oxide
-
ME502515
-
-
1.2986
-
Triprolidine
Triprolidine
ME505347
-
-
7.7345
-
Tris(2-methyl-1-aziridinyl)phosphine oxide
-
ME506594
-
C19556
6.244
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +1.585
-
ME504367
-
C19556
1.585
-
Tris(2-methyl-1-aziridinyl)phosphine oxide +6.058
-
ME506595
-
C19556
6.058
-
Tris(butoxyethyl)phosphate
-
ME504030
-
C14446
5.873
-
Troglitazone sulfate
-
ME504031
-
-
1.03225
-
Troglitazone sulfate +1.0325
-
ME505348
-
-
1.0325
-
Trolamine
Triethanolamine
ME502615
-
C06771
5.8744283
-
Trolamine +6.057
Triethanolamine
ME503418
-
C06771
6.057
-
Tromethamine
2-Amino-2-methylol-propane-1,3-diol
ME502537
-
C07182
6.0655007
-
Tromethamine +6.3055
2-Amino-2-methylol-propane-1,3-diol
ME505349
-
C07182
6.3055
-
Tropacocaine
-
ME504032
-
C10848
6.64075
-
Tropine
Pseudotropine
ME503289
-
C00729
1.52725
-
Tropine +5.867334
Pseudotropine
ME504368
-
C00729
5.867334
-
Tropinone
Tropinone
ME504033
-
C00783
1.76475
-
Tropinone +1.403
Tropinone
ME504369
-
C00783
1.403
-
Trp Ile
Trp-Ile
ME503419
-
-
6.3232856
-
Trp Ile Arg
Trp-Ile-Arg
ME506596
-
-
3.977
-
Trp Lys Arg
Trp-Lys-Arg
ME504370
-
-
4.7973332
-
Trp Pro
Trp-Pro
ME506597
-
-
8.384
-
Trp Ser
Trp-Ser
ME506598
-
-
8.558
-
Trp Thr Trp
Trp-Thr-Trp
ME506599
-
-
6.056
-
Trp Trp
Trp-Trp
ME505350
-
-
2.865
-
Trp Trp Lys
Trp-Trp-Lys
ME503755
-
-
1.2412001
-
Trp Val Pro
Trp-Val-Pro
ME505351
-
-
1.109
-
Tubulosine
-
ME504371
-
C09248
1.3379999
-
Tuliposide A
Tuliposide A
ME505352
-
C08561
7.008
-
Tumonoic Acid A
-
ME506600
-
-
1.111
-
Tumonoic Acid D
-
ME505353
-
-
6.3765
-
Tumonoic Acid H
-
ME504372
-
-
1.3366667
-
Tussilagine
Tussilagine
ME505354
-
C10411
1.3225
-
Tussilagine +6.789
Tussilagine
ME506601
-
C10411
6.789
-
Tylosin
Tylosin
ME506602
-
C01457
1.838
-
Tyramine-O-sulfate
Tyramine-O-sulfate
ME505359
-
-
1.503
-
Tyr Leu
Tyr-Leu
ME503084
-
-
6.5336
-
Tyr Leu +6.7387505
Tyr-Leu
ME503290
-
-
6.7387505
-
Tyr Leu +6.7903333
Tyr-Leu
ME504373
-
-
6.7903333
-
Tyr Leu +6.9038334
Tyr-Leu
ME503576
-
-
6.9038334
-
Tyr Leu +7.7433753
Tyr-Leu
ME503291
-
-
7.7433753
-
Tyr Leu +8.699
Tyr-Leu
ME506603
-
-
8.699
-
Tyr Leu Val
Tyr-Leu-Val
ME505355
-
-
1.1345
-
TyrMe-Nap-OH
-
ME502948
-
-
1.2454166
-
TyrMe-Nap-OH +1.041
-
ME506608
-
-
1.041
-
Tyr Met Glu
Tyr-Met-Glu
ME506604
-
-
6.508
-
Tyr Met Glu +6.5425
Tyr-Met-Glu
ME505356
-
-
6.5425
-
Tyr Phe
Tyr-Phe
ME506605
-
-
2.926
-
Tyr Thr Ala
Tyr-Thr-Ala
ME503756
-
-
6.6468
-
Tyr Thr Lys
Tyr-Thr-Lys
ME503003
-
-
2.907091
-
Tyr Tyr
Tyr-Tyr
ME505357
-
-
2.942
-
Tyr Tyr +3.579
Tyr-Tyr
ME506606
-
-
3.579
-
Tyr Tyr Lys
Tyr-Tyr-Lys
ME505358
-
-
5.467
-
Tyr Tyr Pro
Tyr-Tyr-Pro
ME506607
-
-
1.423
-
Ubisemiquinone
-
ME505360
-
-
1.051
-
Undecylprodigiosin
Undecylprodigiosin
ME503292
-
C12023
5.936125
-
Ursiniolide A
-
ME506609
-
C09572
4.56
-
Ursodeoxycholic acid 3-sulfate
Ursodeoxycholic acid 3-sulfate
ME502516
-
-
6.48096
-
Ursodeoxycholic acid 3-sulfate +1.1235557
Ursodeoxycholic acid 3-sulfate
ME503182
-
-
1.1235557
-
Val Arg Cys
Val-Arg-Cys
ME505361
-
-
5.6844997
-
Val Arg Pro
Val-Arg-Pro
ME506610
-
-
1.049
-
Val Arg Tyr
Val-Arg-Tyr
ME506611
-
-
1.35
-
Val Arg Val
Val-Arg-Val
ME505362
-
-
1.402
-
Val Arg Val +1.394
Val-Arg-Val
ME506612
-
-
1.394
-
Val Asp Gly
Val-Asp-Gly
ME503085
-
-
6.6404
-
Val Asp Gly +6.9065
Val-Asp-Gly
ME503577
-
-
6.9065
-
Val Asp Trp
Val-Asp-Trp
ME506613
-
-
5.668
-
Valdecoxib
Valdecoxib
ME506618
-
-
1.966
-
Valerianine
-
ME504035
-
C09991
5.3265
-
Valeroidine
Valeroidine
ME506619
-
C10869
6.377
-
Val Gly Ile
Val-Gly-Ile
ME503420
-
-
7.594143
-
Val Gly Val
Val-Gly-Val
ME505363
-
-
6.6665
-
Val His Lys
Val-His-Lys
ME505364
-
-
5.7905
-
Val Ile
Val-Ile
ME503757
-
-
8.787001
-
Val Ile +7.318
Val-Ile
ME506614
-
-
7.318
-
Val Leu
Val-Leu
ME503183
-
-
6.057444
-
Val Leu +6.825
Val-Leu
ME506615
-
-
6.825
-
Val Leu +6.9236665
Val-Leu
ME504374
-
-
6.9236665
-
Val Lys
Val-Lys
ME502812
-
-
9.259067
-
Val Lys +9.32589
Val-Lys
ME503184
-
-
9.32589
-
Val Lys +9.469001
Val-Lys
ME504375
-
-
9.469001
-
Val Phe Val
Val-Phe-Val
ME505365
-
-
1.9990001
-
Val Phe Val +2.0945
Val-Phe-Val
ME505366
-
-
2.0945
-
Valproic acid glucuronide
Valproic acid glucuronide
ME506620
-
C03033
3.225
-
Val Tyr
Val-Tyr
ME504034
-
-
7.02175
-
Val Tyr +6.113333
Val-Tyr
ME503578
-
-
6.113333
-
Val Tyr His
Val-Tyr-His
ME503086
-
-
1.3230002
-
Val Tyr Phe
Val-Tyr-Phe
ME506616
-
-
1.067
-
Val Val
Val-Val
ME503421
-
-
6.186
-
Val Val +3.1266668
Val-Val
ME504376
-
-
3.1266668
-
Val Val +7.144833
Val-Val
ME503579
-
-
7.144833
-
Val Val +8.186
Val-Val
ME506617
-
-
8.186
-
Veatchine
-
ME504377
-
C06092
1.9593334
-
Verapamil
Verapamil
ME505367
-
C07188
3.9984999
-
Victorin C
Victorin C
ME502517
-
C08443
1.01836
-
Victorin C +1.0163333
Victorin C
ME504378
-
C08443
1.0163333
-
Villinol
-
ME504036
-
-
6.0579996
-
?-vinyl acrylic acid
-
ME505404
-
-
1.305
-
Vinyl-L-NIO
-
ME506621
-
-
3.644
-
Vitamin E succinate(tocopherol succinate)
-
ME503422
-
-
1.0665714
-
Volicitin
-
ME503087
-
C16345
6.063899
-
VPGPR Enterostatin
-
ME503088
-
-
7.7661004
-
VPGPR Enterostatin +7.7265
-
ME504037
-
-
7.7265
-
VPGPR Enterostatin +7.764
-
ME506622
-
-
7.764
-
VPGPR Enterostatin +8.0585
-
ME505368
-
-
8.0585
-
V-PYRRO/NO
-
ME503423
-
-
4.1497145
-
V-PYRRO/NO +4.102
-
ME506623
-
-
4.102
-
V-PYRRO/NO +4.3929996
-
ME504038
-
-
4.3929996
-
V-PYRRO/NO +6.7351665
-
ME503580
-
-
6.7351665
-
W123
-
ME502616
-
-
1.4319048
-
W123 +1.3951
-
ME503089
-
-
1.3951
-
W123 +4.6785
-
ME505369
-
-
4.6785
-
W123 +7.462
-
ME505370
-
-
7.462
-
W123 +7.5655003
-
ME505371
-
-
7.5655003
-
Westiellamide
-
ME505372
-
C15739
4.4455004
-
Xanthosine
Xanthosine
ME503424
-
C01762
2.9864285
-
Xestoaminol C
Xestoaminol C
ME502414
-
-
4.176
-
Xestoaminol C +4.357
Xestoaminol C
ME506624
-
-
4.357
-
Y-27632
-
ME504379
-
-
1.2596668
-
YM-53601
-
ME504380
-
-
8.395667
-
Zalcitabine
Zalcitabine
ME505373
-
C07207
7.8085003
-
Zalcitabine +1.729
Zalcitabine
ME506625
-
C07207
1.729
-
Zalcitabine +3.995
Zalcitabine
ME506626
-
C07207
3.995
-
Zaprinast
-
ME506627
-
-
1.92
-
Zaprinast +6.545
-
ME505374
-
-
6.545
-
Zaprinast +6.875
-
ME506628
-
-
6.875
-
Z-Arg-Arg-NHMec
-
ME505375
-
C02334
1.5239999
-
Z-Arg-Arg-NHMec +3.6420002
-
ME504381
-
C02334
3.6420002
-
Z-Gly-Pro-Leu-Gly-Pro
-
ME506629
-
C03183
2.772
-
Zinnolide
-
ME506630
-
C09983
1.53
-
Zinnolide +6.583
-
ME505376
-
C09983
6.583
-
Zizyphine A
-
ME506631
-
C10015
1.838
-
ZK118182 isopropyl ester
-
ME502949
-
-
5.7938333
-
Zolpidem Metabolite I
-
ME506632
-
-
6.06
-
Zolpidem Metabolite II
-
ME505377
-
-
3.834
-
Zopiclone
Zopiclone
ME502397
-
C12808
1.0563226
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-
9,12,13,TriHODE
ME509318
-
-
1.185
-
10-(beta-Dimethylaminopropionyl)phenothiazine
-
ME507543
-
C17619
3.1956666
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane
-
ME507690
-
C09685
1.11
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME507001
-
C09685
1.2933571
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME508437
-
C09685
1.3615
-
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane ...
-
ME507347
-
C09685
1.5554999
-
10-Desacetyltaxuyunnanin C
-
ME509319
-
C15538
1.575
-
10-Desacetyltaxuyunnanin C -3.255
-
ME508438
-
C15538
3.255
-
10-dodecynoic acid
-
ME507204
-
-
1.0856
-
10-HODTA methyl ester
-
ME508439
-
-
1.1064999
-
10-Hydroxydihydrosanguinarine
10-Hydroxydihydrosanguinarine
ME509320
-
C05247
1.581
-
10-nitro,9Z,12Z-octadecadienoic acid
10-Nitrolinoleic acid
ME508440
-
-
2.1950002
-
(10S)-Juvenile hormone III acid diol
-
ME508419
-
C16506
1.3355
-
(10S)-Juvenile hormone III acid diol -1.21525
-
ME507860
-
C16506
1.21525
-
(10S)-Juvenile hormone III acid diol -1.3820001
-
ME507684
-
C16506
1.3820001
-
(10S)-Juvenile hormone III acid diol -1.532
-
ME509293
-
C16506
1.532
-
11,12-dihydroxy stearic acid
-
ME506790
-
-
1.1752174
-
1,1,2-Triphenylpropane
-
ME507346
-
C14278
1.06175
-
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-s...
-
ME508118
-
-
1.2066666
-
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-s...
-
ME509321
-
-
1.213
-
11-acetoxy-3beta,6alpha-dihydroxy-9,11-seco-5alpha...
-
ME507868
-
-
1.3364999
-
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-meth...
-
ME509322
-
C15444
1.339
-
11-beta-hydroxyandrosterone-3-glucuronide
11beta-Hydroxyandrosterone-3-glucuronide
ME508119
-
C03033
1.929
-
11-beta-hydroxyandrosterone-3-glucuronide -2.47949...
11beta-Hydroxyandrosterone-3-glucuronide
ME508442
-
C03033
2.4794998
-
11-beta-hydroxyandrosterone-3-glucuronide -2.88049...
11beta-Hydroxyandrosterone-3-glucuronide
ME508443
-
-
2.8804998
-
11beta-Hydroxyprogesterone
11beta-Hydroxyprogesterone
ME509323
-
-
1.12
-
11-Deoxocucurbitacin I
11-Deoxocucurbitacin I
ME508444
-
C08807
5.9895
-
11?-ethynyl-1?,25-dihydroxyvitamin D3 / 11?-ethyny...
-
ME508441
-
-
1.042
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid
-
ME507279
-
-
1.2801112
-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid -1....
-
ME508120
-
-
1.3483334
-
11-lauroleic acid
-
ME506701
-
-
1.1258334
-
11-lauroleic acid -1.174
-
ME509324
-
-
1.174
-
11-lauroleic acid -1.35
-
ME509325
-
-
1.35
-
11S-hydroxy-hexadecanoic acid
-
ME507102
-
-
1.1280001
-
1,2,3-Tris(chloromethoxy)propane
-
ME506930
-
C19544
1.2048751
-
1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol
-
ME507000
-
-
1.1114999
-
1?,25-dihydroxy-11?-(2-hydroxyethyl)vitamin D3 / 1...
-
ME508436
-
-
1.1735001
-
1,2-Dihexanoyl-sn-glycerol
-
ME507689
-
-
1.6004
-
1,2-Dihexanoyl-sn-glycerol -1.6905
-
ME508427
-
-
1.6905
-
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxyla...
-
ME509315
-
C06731
5.125
-
1,2-Dihydroxynaphthalene-6-sulfonate
-
ME509316
-
C16196
0.929
-
1,2-Epoxy-3,4-butanediol 4-methanesulfonate
-
ME507100
-
-
1.66725
-
1,2-Epoxy-3,4-butanediol 4-methanesulfonate -1.690...
-
ME508428
-
-
1.6905
-
1,2?-Epoxydeacetoxydihydrogedunin
-
ME507867
-
-
1.4635
-
12-Hydroxybenzo[a]pyrene
-
ME509326
-
C14563
1.579
-
12-Hydroxydihydrochelirubine
-
ME509327
-
C05193
0.75
-
12-Hydroxyergometrine
-
ME509328
-
-
0.994
-
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazol...
-
ME507866
-
-
5.8397503
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME509329
-
-
0.825
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME508445
-
-
1.0675
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME508446
-
-
1.2915001
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME508447
-
-
3.0349998
-
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid
-
ME509330
-
-
1.167
-
13,14-dihydro-15-keto Prostaglandin J2
-
ME507691
-
-
1.212
-
13,14-dihydro-15-keto-tetranor PGF1?
-
ME509331
-
-
1.82
-
1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene
ME508429
-
-
1.787
-
1,3,5-Trimethoxybenzene -1.856
1,3,5-Trimethoxybenzene
ME508116
-
-
1.856
-
1,3,5-Trimethoxybenzene -2.024
1,3,5-Trimethoxybenzene
ME509317
-
-
2.024
-
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME507101
-
C16361
1.71425
-
1,3-Benzenedisulfonamide
-
ME508117
-
C14182
0.69733334
-
1,3-Dideacetylkhivorin
-
ME508430
-
-
1.9005
-
1,3-Dideacetylkhivorin -2.5254998
-
ME508431
-
-
2.5254998
-
1,3-Dideacetylkhivorin -3.255
-
ME508432
-
-
3.255
-
1,3-Dimethyluric acid
1,3-Dimethyluric acid
ME506803
-
-
1.9722729
-
1,3-Dimethyluric acid -2.1017199
1,3-Dimethyluric acid
ME506755
-
-
2.1017199
-
1,3-Diphenyltetramethyldisiloxane
-
ME508433
-
C14251
2.4235
-
1,3-Diphenyltetramethyldisiloxane -2.121
-
ME508434
-
C14251
2.121
-
1(3)-glyceryl-PGH2
-
ME508115
-
-
1.3403333
-
1(3)-glyceryl-PGH2 -3.342
-
ME509313
-
-
3.342
-
13-Hydroxypergolide glucuronide
-
ME507869
-
-
1.463
-
13-Hydroxypergolide glucuronide -1.5965
-
ME508448
-
-
1.5965
-
13(S)-HODE
13S-HODE
ME506858
-
C14762
1.1096315
-
13Z-octadecenoic acid
13Z-Octadecenoic acid
ME507692
-
-
1.076
-
1,4-Dioxane
-
ME507448
-
C14440
1.6354285
-
14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
-
ME507449
-
-
0.8137142
-
1-(4'-Hydroxyphenyl)ethanol
-
ME506968
-
C13638
1.2492001
-
14-methyl-20,14-retro-retinoic acid
-
ME508449
-
-
1.0805
-
(Ñ©15-HEDE
-
ME509309
-
-
1.101
-
15-HETE-G
-
ME507870
-
-
1.871
-
15-HETE-G -1.35
-
ME509332
-
-
1.35
-
15-HETE-G -1.408
-
ME509333
-
-
1.408
-
15-Oxo-5?-cholan-24-oic Acid
-
ME506882
-
-
1.1231667
-
15(R)-17-phenyl trinor PGF2? isopropyl ester
-
ME508450
-
-
1.694
-
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenz...
-
ME508121
-
-
1.8926667
-
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic ...
-
ME508435
-
C15089
2.388
-
16-Feruloyloxypalmitate
-
ME509334
-
C18217
1.47
-
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acet...
-
ME507871
-
C15180
0.96375
-
17-Epiestriol
-
ME508451
-
-
2.198
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME506702
-
C15090
0.98550004
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME507693
-
C15090
1.1104
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME506633
-
C15090
2.0990937
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME506683
-
C15090
2.4069998
-
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carbo...
-
ME509335
-
C15090
2.502
-
17-hydroxyandrostane-3-glucuronide
11beta-Hydroxyandrosterone-3-glucuronide
ME508452
-
-
1.526
-
17-hydroxyandrostane-3-glucuronide -1.257
11beta-Hydroxyandrosterone-3-glucuronide
ME509336
-
C03033
1.257
-
17-hydroxyandrostane-3-glucuronide -1.4745
11beta-Hydroxyandrosterone-3-glucuronide
ME508453
-
C03033
1.4745
-
17-hydroxyandrostane-3-glucuronide -2.0085
11beta-Hydroxyandrosterone-3-glucuronide
ME508454
-
C03033
2.0085
-
17-hydroxyandrostane-3-glucuronide -2.176
11beta-Hydroxyandrosterone-3-glucuronide
ME509337
-
C03033
2.176
-
17-hydroxyandrostane-3-glucuronide -2.2665
11beta-Hydroxyandrosterone-3-glucuronide
ME508455
-
C03033
2.2665
-
17-hydroxyandrostane-3-glucuronide -2.3730001
-
ME508456
-
-
2.3730001
-
17-hydroxyandrostane-3-glucuronide -2.4485002
-
ME508457
-
-
2.4485002
-
17-phenoxy trinor PGF2? ethyl amide
-
ME507280
-
-
1.3383334
-
17-phenoxy trinor PGF2? ethyl amide -1.3197501
-
ME507872
-
-
1.3197501
-
17-trifluoromethylphenyl trinor PGF2? methyl ester
-
ME509338
-
-
1.182
-
18-hydroxy-9R,10S-epoxy-stearic acid
-
ME506730
-
-
1.1693335
-
18-Oxocortisol
18-Oxocortisol
ME509339
-
-
1.118
-
18-oxo-Resolvin E1
18-Oxo-Resolvin E1
ME508458
-
-
1.2535
-
18-oxo-Resolvin E1 -1.349
18-Oxo-Resolvin E1
ME509340
-
-
1.349
-
19-hydroxy-17-oxoandrost-5-en-3-?-yl sulfate
-
ME509341
-
-
0.945
-
19-hydroxy-Resolvin E1
19-Hydroxy-Resolvin E1
ME507149
-
-
1.3127272
-
19-hydroxy-Resolvin E1 -1.456125
19-Hydroxy-Resolvin E1
ME507348
-
-
1.456125
-
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME507048
-
C10427
1.5278461
-
1'-Acetoxyeugenol acetate -1.572
1'-Acetoxyeugenol acetate
ME509342
-
C10427
1.572
-
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-...
-
ME509314
-
C03033
2.487
-
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-...
-
ME508426
-
C03033
2.688
-
1-Caffeoyl-beta-D-glucose
-
ME509343
-
C10433
1.498
-
1-Caffeoyl-beta-D-glucose -1.0235
-
ME508459
-
C10433
1.0235
-
1-Caffeoyl-beta-D-glucose -1.53
-
ME509344
-
C10433
1.53
-
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol...
-
ME509345
-
C04812
6.054
-
1H-Imidazole-4-methanol
Imidazole-4-methanol
ME509346
-
C05562
5.682
-
1-Hydroxyhexane-1,2,6-tricarboxylate
-
ME508460
-
C16600
1.5995
-
1-Hydroxyhexane-1,2,6-tricarboxylate -6.052
-
ME508461
-
C16600
6.052
-
1-Methylguanine
1-Methylguanine
ME507694
-
C04152
3.875
-
1-Methyluric acid
1-Methyluric acid
ME507873
-
C16359
2.8457499
-
1-Naphthalenesulfonic acid
Naphthalene-1-sulfonic acid
ME507049
-
C16201
1.0553076
-
1-Naphthalenesulfonic acid -2.0916667
Naphthalene-1-sulfonic acid
ME507103
-
C16201
2.0916667
-
1-Nitro-5,6-dihydroxy-dihydronaphthalene
-
ME507349
-
C14801
1.6007501
-
1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphth...
-
ME507544
-
C14806
1.6915001
-
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosy...
-
ME508122
-
C19784
6.049333
-
1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-...
-
ME508123
-
C17614
1.1063334
-
1-Propanamine, N,N-dimethyl-3-(5-oxidodibenzo[b,e]...
-
ME509347
-
-
1.477
-
(1R,4R)-Dihydrocarvone
-
ME509294
-
C11398
1.2
-
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate
-
ME509295
-
C19831
6.064
-
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate ...
-
ME508420
-
C19831
1.379
-
(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclop...
-
ME509296
-
C19844
0.842
-
(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydro...
-
ME507861
-
C14798
0.75675
-
20-hydroxy-PGE2
20-Hydroxy-PGE2
ME507051
-
-
1.5738461
-
20-hydroxy-PGE2 -2.22825
20-Hydroxy-PGE2
ME507351
-
-
2.22825
-
20-hydroxy-PGE2 -2.5904999
20-Hydroxy-PGE2
ME508476
-
-
2.5904999
-
21-Hydroxydydrogesterone glucoronide
-
ME509366
-
-
1.221
-
22,24,25-trihydroxyvitamin D3 / 22,24,25-trihydrox...
-
ME509367
-
-
1.168
-
22,24,25-trihydroxyvitamin D3 / 22,24,25-trihydrox...
-
ME507698
-
-
1.2726
-
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benz...
-
ME508124
-
C15055
0.989
-
2,2-Dimethyl Succinic acid
2,2-Dimethylsuccinic acid
ME507151
-
-
1.4902726
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid
-
ME506857
-
-
1.5702105
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1...
-
ME507862
-
-
1.45875
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1...
-
ME506824
-
-
1.6732858
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1...
-
ME508421
-
-
1.6935
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1...
-
ME506754
-
-
1.8586798
-
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -2...
-
ME507685
-
-
2.0126
-
2,3',4,4',5'-Pentachlorobiphenyl
-
ME509355
-
C18119
1.6
-
2,3,4'-Trihydroxy-4-Methoxybenzophenone
-
ME508465
-
-
1.146
-
2',3',5'-triacetyl-5-Azacytidine
-
ME508466
-
-
3.9864998
-
2',3',5'-triacetyl-5-Azacytidine -2.6095
-
ME508467
-
-
2.6095
-
2',3',5'-triacetyl-5-Azacytidine -3.229
-
ME509356
-
-
3.229
-
2',3',5'-triacetyl-5-Azacytidine -3.4276667
-
ME508125
-
-
3.4276667
-
2',3',5'-triacetyl-5-Azacytidine -3.618333
-
ME508126
-
-
3.618333
-
2,3,6-Trichlorobiphenyl
-
ME507874
-
C14359
13.3995
-
2?,3?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid
-
ME508475
-
-
1.3410001
-
2?,3?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid -1...
-
ME509365
-
-
1.29
-
2,3-di-0-hexanoyl-alpha-glucopyranose
-
ME509357
-
-
2.151
-
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedela...
-
ME508468
-
-
0.8335
-
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic a...
-
ME508469
-
-
5.6885
-
2,3-Dihydroxy-6,7-Dichloroquinoxaline
-
ME509358
-
-
5.779
-
2,3-Dihydroxy-6,7-Dichloroquinoxaline -13.421
-
ME509359
-
-
13.421
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid
-
ME507697
-
-
1.2552
-
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid -1....
-
ME508128
-
-
1.3356667
-
2,3-Dinor-6-keto-prostaglandin F1 a
2,3-Dinor-6-keto-prostaglandin F1 alpha
ME509360
-
-
2.402
-
2,3-dinor Thromboxane B1
2,3-Dinor-TXB1
ME507104
-
-
1.4109167
-
2,3-dinor Thromboxane B1 -1.235
2,3-Dinor-TXB1
ME507875
-
-
1.235
-
2,3-dinor Thromboxane B1 -1.4879999
2,3-Dinor-TXB1
ME508470
-
-
1.4879999
-
2,3-Dinor-TXB2
2,3-Dinor-TXB2
ME508471
-
-
1.256
-
2,3-Dinor-TXB2 -1.5350001
2,3-Dinor-TXB2
ME508472
-
-
1.5350001
-
23-nor-22-oxo-chol-5-en-3beta-ol
-
ME508129
-
-
1.3426666
-
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-gl...
-
ME509297
-
C03033
3.621
-
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R...
-
ME507147
-
-
1.2358181
-
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-d...
-
ME507699
-
-
1.3418001
-
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-d...
-
ME509368
-
-
1.181
-
24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3
-
ME509369
-
-
1.196
-
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluo...
-
ME508130
-
-
1.704
-
2,4,2',4'-Tetrahydroxychalcone
-
ME508473
-
-
1.0945001
-
2-(4-amino-5-chloro-2-methoxybenzamido)acetic acid
-
ME508462
-
-
2.341
-
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylon...
-
ME509348
-
C14893
2.145
-
2,4-Diamino-6,7-dimethoxyquinazoline
-
ME509361
-
-
5.686
-
2,4-Diamino-6-hydroxylaminotoluene
-
ME508474
-
C16399
5.4075003
-
2,4-Dichloro-3-oxoadipate
-
ME507205
-
C18244
7.2349
-
2,4-Dichloro-3-oxoadipate -7.2812004
-
ME507695
-
C18244
7.2812004
-
2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3''...
-
ME507050
-
-
1.1096923
-
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
-
ME506833
-
-
1.1021
-
2,4-Dinitrophenylhydrazine
2,4-Dinitrophenylhydrazine
ME508127
-
C11283
1.3836666
-
2,4-DP
Dichlorprop
ME507350
-
C11020
2.774875
-
2,4-DP -2.835
Dichlorprop
ME509362
-
C11020
2.835
-
2,4-DP -2.916167
Dichlorprop
ME507105
-
C11020
2.916167
-
24-Nor-5beta-chol-22-ene-3alpha,6alpha-diol
-
ME507876
-
-
1.3385
-
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-p...
-
ME507877
-
-
1.498
-
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha...
-
ME507878
-
-
1.69875
-
2',5'-Dichloro-2-biphenylol
-
ME506883
-
C14736
1.1074443
-
2',5'-Dichloro-2-biphenylol -0.928
-
ME509363
-
C14736
0.928
-
2',5'-Dichloro-2-biphenylol -0.9906
-
ME507696
-
C14736
0.9906
-
2',5'-Dichloro-2-biphenylol -1.1074167
-
ME507106
-
C14736
1.1074167
-
2',5'-Dichloro-2-biphenylol -2.2870002
-
ME506931
-
C14736
2.2870002
-
2',5'-Dichloro-2-biphenylol -2.301
-
ME509364
-
C14736
2.301
-
(25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholest...
-
ME507342
-
-
3.650875
-
(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic...
-
ME507863
-
-
1.26975
-
2,6-Dichloro-para-phenylenediamine
-
ME506684
-
C19399
0.70719355
-
26-Hydroxybrassinolide
-
ME506900
-
C19874
1.337
-
26-Hydroxybrassinolide -1.3260001
-
ME507546
-
C19874
1.3260001
-
26-Hydroxybrassinolide -1.347
-
ME508477
-
C19874
1.347
-
26-Hydroxybrassinolide -1.552
-
ME509370
-
C19874
1.552
-
26-hydroxycholesterol 3-sulfate
-
ME507206
-
-
0.85830003
-
2-(Acetamidomethylene)succinate
-
ME508463
-
C01215
1.6355
-
2-Amino-1,2-bis(p-chlorophenyl)ethanol
-
ME506756
-
C15427
1.47744
-
2-Amino-1,2-bis(p-chlorophenyl)ethanol -0.976
-
ME509371
-
C15427
0.976
-
2-Amino-1,2-bis(p-chlorophenyl)ethanol -1.971
-
ME508478
-
C15427
1.971
-
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
-
ME507879
-
C16038
1.43225
-
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine -1...
-
ME509372
-
C16038
1.727
-
2-Amino-2-deoxyisochorismate
-
ME507152
-
C18054
6.2385454
-
2-Amino-2-deoxyisochorismate -1.108
-
ME509373
-
C18054
1.108
-
2-Amino-2-deoxyisochorismate -5.6849995
-
ME507700
-
C18054
5.6849995
-
2-Amino-2-deoxyisochorismate -6.237
-
ME508479
-
C18054
6.237
-
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid
-
ME508480
-
C16850
2.5855
-
2-amino-4'-hydroxy-Propiophenone
-
ME507153
-
-
5.844182
-
2-amino-4'-hydroxy-Propiophenone -1.113
-
ME509374
-
-
1.113
-
2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethy...
-
ME508481
-
C04807
1.6335
-
2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethy...
-
ME508482
-
C04807
1.8535
-
2-Aminoacridone
2-Aminoacridone
ME508483
-
C12143
1.1935
-
2-Benzothiazolesulfonamide
-
ME509375
-
C14181
0.911
-
2-(beta-D-Glucosyl)-sn-glycerol
-
ME509349
-
C11546
4.326
-
2-(beta-D-Glucosyl)-sn-glycerol -3.586
-
ME509350
-
C11546
3.586
-
2-bromopalmitaldehyde
-
ME509376
-
-
2.418
-
2-Chloro-1,1,2-trifluoroethyl ethyl ether
-
ME509377
-
C14700
1.312
-
2-Chloro-1,4-naphthoquinone
2-Chloro-1,4-naphthoquinone
ME509378
-
C03753
1.198
-
2-Chloro-1,4-naphthoquinone -1.19
2-Chloro-1,4-naphthoquinone
ME509379
-
C03753
1.19
-
2-Chloro-1,4-naphthoquinone -1.1949999
2-Chloro-1,4-naphthoquinone
ME508484
-
C03753
1.1949999
-
2-Chloro-3-oxoadipate
-
ME509380
-
C12836
1.202
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME506884
-
C11434
2.8925
-
2-C-Methyl-D-erythritol 4-phosphate -2.7582858
-
ME507002
-
C11434
2.7582858
-
2-C-Methyl-D-erythritol 4-phosphate -2.8216667
-
ME508131
-
C11434
2.8216667
-
2-C-Methyl-D-erythritol 4-phosphate -2.861
-
ME509381
-
C11434
2.861
-
2-Dehydro-3-deoxy-L-rhamnonate
-
ME507880
-
C03979
6.0555
-
2-Deoxy-2-dimethylamino-alpha-D-Glucose
-
ME509382
-
C12067
1.612
-
2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate
-
ME509383
-
C11038
2.777
-
2'-Deoxymugineic acid
-
ME507207
-
C15485
6.0691
-
2'-Deoxymugineic acid -6.138
-
ME508485
-
C15485
6.138
-
2'-Deoxyuridine
Deoxyuridine
ME506885
-
C00526
1.6366112
-
2'-Deoxyuridine -2.391375
Deoxyuridine
ME507352
-
C00526
2.391375
-
2E,4E,8E,10E-Dodecatetraenedioic acid
-
ME507154
-
-
1.3619092
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME509384
-
-
1.237
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME509385
-
-
2.161
-
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hy...
-
ME509386
-
-
1.049
-
2'-Hydroxy-2,4',6'-trimethoxychalcone
-
ME507003
-
-
1.1178571
-
2-Hydroxy-2-hydropyrone-4,6-dicarboxylate
-
ME508486
-
C05375
2.27
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
-
ME507881
-
-
2.108
-
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone -2.381
-
ME509387
-
-
2.381
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME507208
-
C06581
0.9983001
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME509388
-
C06581
1.54
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME509389
-
C06581
4.201
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME508487
-
C06581
4.2415
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME508488
-
C06581
4.335
-
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoat...
-
ME508489
-
C06581
4.3815002
-
2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate
-
ME507882
-
C15651
0.8785
-
2-hydroxy-4- (methylthio) butyric acid
2-Hydroxy-4-(methylthio)butanoic acid
ME509390
-
-
2.731
-
2-hydroxy-4- (methylthio) butyric acid -2.397
2-Hydroxy-4-(methylthio)butanoic acid
ME509391
-
-
2.397
-
2'-Hydroxydaidzein
-
ME508490
-
C02495
1.109
-
2-hydroxy-decanedioic acid
2-Hydroxy-decanedioic acid
ME508491
-
-
1.6595
-
2-Hydroxyisophthalic acid
-
ME509392
-
C14097
0.843
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME508464
-
C04690
1.5645001
-
2-Hydroxymethylclavam
-
ME507883
-
C17357
6.0594997
-
2-Indanone oxime
-
ME507209
-
C14639
1.5231001
-
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro...
-
ME506634
-
C14714
5.6929693
-
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro...
-
ME509351
-
C14714
5.904
-
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro...
-
ME507545
-
C14714
5.9576664
-
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro...
-
ME509352
-
C14714
6.016
-
2-Methoxyestradiol-17? 3-sulfate
-
ME508492
-
C08359
0.93350005
-
2-methyl-dodecanedioic acid
-
ME509393
-
-
1.18
-
2-methyl-dodecanedioic acid -1.712
-
ME509394
-
-
1.712
-
2-methylene-4-oxo-pentanedioic acid
2-Methylene-4-oxopentanedioic acid
ME509395
-
-
6.068
-
2-methylene-4-oxo-pentanedioic acid -2.064
2-Methylene-4-oxopentanedioic acid
ME509396
-
-
2.064
-
2-methylene-4-oxo-pentanedioic acid -2.3125
2-Methylene-4-oxopentanedioic acid
ME508493
-
-
2.3125
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME507547
-
-
1.1705
-
2-methyl-undecanoic acid
-
ME507884
-
-
1.09875
-
2-Naphthalenesulfonic acid
-
ME507004
-
C16202
2.4050715
-
2-Naphthalenesulfonic acid -1.341
-
ME509397
-
C16202
1.341
-
2-(N-morpholino)ethanesulfonic acid
2-(N-Morpholino)ethanesulfonic acid
ME507150
-
-
2.3852727
-
2-(N-morpholino)ethanesulfonic acid -3.325
2-(N-Morpholino)ethanesulfonic acid
ME509353
-
-
3.325
-
2-O-a-L-Fucopyranosyl-galactose
-
ME509398
-
-
5.683
-
2-O-a-L-Fucopyranosyl-galactose -6.0594997
-
ME508494
-
-
6.0594997
-
2-O-Caffeoylglucarate
-
ME509399
-
C03062
1.03
-
2-Oxo-4-hydroxy-5-aminovalerate
-
ME509400
-
C05941
7.335
-
2-Oxo-4-methylthiobutanoic acid
2-Oxo-4-methylthiobutanoic acid
ME508495
-
C01180
2.9125
-
2-oxo-dodecanoic acid
-
ME509401
-
-
1.113
-
2-oxo-octadecanoic acid
2-Oxo-octadecanoic acid
ME506685
-
C00869
1.1077098
-
2-Oxopropyl-CoM
2-Oxopropyl-CoM
ME507885
-
C11497
1.40625
-
2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitril...
-
ME509354
-
C14936
2.251
-
2-Propylmalate
-
ME508496
-
C05994
2.753
-
2-Pyridyl hydroxymethane sulfonic acid
2-Pyridyl hydroxymethane sulfonic acid
ME506932
-
C11327
0.84712505
-
2-Pyridyl hydroxymethane sulfonic acid -1.5127691
2-Pyridyl hydroxymethane sulfonic acid
ME507052
-
C11327
1.5127691
-
(2S)-2-Phospholactate
-
ME509298
-
C19156
0.915
-
(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan
-
ME506789
-
-
1.3179566
-
(2S,5S)-trans-Carboxymethylproline
-
ME507446
-
C17366
6.1268573
-
(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-?-L-fucoside)
-
ME508113
-
C15935
1.245
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid
-
ME506901
-
C11637
1.2167648
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -1.23716...
-
ME506757
-
C11637
1.2371602
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -1.33100...
-
ME508500
-
C11637
1.3310001
-
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -1.362
-
ME509412
-
C11637
1.362
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid
-
ME506635
-
-
1.2611251
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -1.3375001
-
ME506636
-
-
1.3375001
-
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -1.438
-
ME509413
-
-
1.438
-
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid
-
ME506970
-
-
1.3197333
-
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid -1...
-
ME508501
-
-
1.2685001
-
3-(1-Carboxyvinyloxy)anthranilate
-
ME507548
-
C19686
2.3515
-
3-(1-Carboxyvinyloxy)anthranilate -2.329
-
ME509402
-
C19686
2.329
-
3-(3,4-Dihydroxyphenyl)lactate
-
ME508497
-
C01207
2.128
-
3-(3,4-Dihydroxyphenyl)pyruvate
-
ME508498
-
C04045
0.919
-
3,3'-Dimethoxybenzidine
-
ME507281
-
C19231
2.2698889
-
3,3'-Dimethylbenzidine
-
ME507886
-
C14443
2.213
-
3,3-Dimethyl-butanoic acid
-
ME507549
-
-
1.4303333
-
3,4,2',4',alpha-Pentahydroxychalcone
-
ME509404
-
-
2.615
-
34:5(19Z,22Z,25Z,28Z,31Z)
-
ME506758
-
-
1.08352
-
3,4',5-Trihydroxystilbene
Resveratrol
ME508132
-
C03582
2.3743334
-
3,4',5-Trihydroxystilbene -1.107
Resveratrol
ME509405
-
C03582
1.107
-
34:6(16Z,19Z,22Z,25Z,28Z,31Z)
-
ME507005
-
-
1.092
-
3',4'-dihydroxyflurbiprofen
-
ME508133
-
-
2.3473334
-
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME507550
-
-
1.1614999
-
3,5,7,8-Tetramethoxyflavone
-
ME509406
-
-
2.648
-
3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6''-O-...
-
ME506969
-
-
1.4264
-
3?,5?-Tetrahydronorethindrone glucuronide
-
ME507701
-
-
2.2183998
-
3,6-Dideoxy-L-galactose
-
ME509407
-
C03348
1.794
-
3,6-dioxo-decanoic acid
3,6-Dioxo-decanoic acid
ME507282
-
-
1.2525555
-
3,6-dioxo-decanoic acid -2.341
3,6-Dioxo-decanoic acid
ME509408
-
-
2.341
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid
-
ME507702
-
-
1.3524001
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1....
-
ME507450
-
-
1.2321428
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1....
-
ME508502
-
-
1.2574999
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1....
-
ME506804
-
-
1.4435909
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1....
-
ME506834
-
-
1.4796999
-
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1....
-
ME508503
-
-
1.856
-
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid
-
ME507887
-
-
1.6615
-
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid -...
-
ME509414
-
-
1.381
-
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid
-
ME507155
-
-
0.95245457
-
3,7,12-Trioxochola-1,4-dien-24-oic Acid
-
ME506703
-
-
1.1106
-
3,7-Dimethyl-2E,6-octadienyl acetate
3,7-Dimethyl-2E,6-octadienyl acetate
ME507210
-
C09861
1.3442999
-
3,7-Dimethyl-2E,6-octadienyl acetate -0.9015
3,7-Dimethyl-2E,6-octadienyl acetate
ME508499
-
C09861
0.9015
-
3,7-Dimethyl-2E,6-octadienyl acetate -1.381
3,7-Dimethyl-2E,6-octadienyl acetate
ME509409
-
C09861
1.381
-
3,7-Dimethyl-2E,6-octadienyl acetate -1.434
3,7-Dimethyl-2E,6-octadienyl acetate
ME509410
-
C09861
1.434
-
3,7-Dimethyl-2E,6-octadienyl acetate -1.689
3,7-Dimethyl-2E,6-octadienyl acetate
ME509411
-
C09861
1.689
-
3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid
-
ME508134
-
-
1.6446667
-
3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid -1.845
-
ME509415
-
-
1.845
-
3a,7b,12a-Trihydroxyoxocholanyl-Glycine
-
ME507703
-
-
1.1098
-
3?-Acetoxydeoxodihydrogedunin
-
ME507888
-
-
1.1405
-
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diac...
-
ME509416
-
C15272
1.35
-
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diac...
-
ME509417
-
C15272
1.443
-
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diac...
-
ME509418
-
C15272
1.495
-
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucu...
-
ME508135
-
C03033
1.6866666
-
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acid
ME508504
-
-
1.8594999
-
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-c...
-
ME506886
-
-
1.3757222
-
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-c...
-
ME507451
-
-
1.4137143
-
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-c...
-
ME507551
-
-
2.391167
-
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5b...
-
ME508505
-
-
1.7185
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME508506
-
-
2.0575
-
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucur...
-
ME509419
-
-
2.2
-
3-Amino-4,7-dihydroxy-8-chlorocoumarin
-
ME509420
-
C12469
1.41
-
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid
ME508136
-
C12115
3.1603334
-
3-Amino-4-hydroxybenzoic acid -0.9185
3-Amino-4-hydroxybenzoic acid
ME508507
-
C12115
0.9185
-
3b,16a-Dihydroxyandrostenone sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME507054
-
-
0.9422308
-
3b,16a-Dihydroxyandrostenone sulfate -0.891
3beta,16alpha-Dihydroxyandrostenone sulfate
ME509421
-
-
0.891
-
3b,16a-Dihydroxyandrostenone sulfate -1.0186667
3beta,16alpha-Dihydroxyandrostenone sulfate
ME508137
-
-
1.0186667
-
3b,16a-Dihydroxyandrostenone sulfate -1.0795
3beta,16alpha-Dihydroxyandrostenone sulfate
ME508508
-
-
1.0795
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME507552
-
-
1.467
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME509422
-
-
1.241
-
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,1...
-
ME508509
-
-
1.4345
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME508138
-
-
1.8116666
-
3-Carboxy-7-chloro-1,2,4-benzothiadiazine-1,1-diox...
-
ME507353
-
-
3.3395002
-
3-Carboxy-7-chloro-1,2,4-benzothiadiazine-1,1-diox...
-
ME508139
-
-
3.3356667
-
3-Deoxy-D-manno-octulosonate 8-phosphate
-
ME509423
-
C04478
2.404
-
3-Deoxyguanosine
-
ME507006
-
-
3.877857
-
3-Furoic acid
3-Furoic acid
ME507283
-
-
6.066
-
3-heptenal
-
ME509424
-
-
1.311
-
3-hexenal
3-Hexenal
ME508510
-
-
1.422
-
3-(Hydrohydroxyphosphoryl)pyruvate
-
ME509403
-
C06368
13.384
-
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid
-
ME506774
-
-
1.1827084
-
3-?-hydroxyandrost-5-en-17-one sulfate
-
ME507053
-
-
0.8996923
-
3-Hydroxybenzyl alcohol
3-Hydroxybenzyl alcohol
ME507354
-
C03351
1.120625
-
3-Hydroxybenzyl alcohol -1.3658749
3-Hydroxybenzyl alcohol
ME507355
-
C03351
1.3658749
-
3-hydroxy-dodecanedioic acid
3-Hydroxy-dodecanedioic acid
ME506887
-
-
1.4984446
-
3-hydroxy-dodecanedioic acid -1.114
3-Hydroxy-dodecanedioic acid
ME509425
-
-
1.114
-
3-Hydroxyquinaldic acid
-
ME507452
-
C18621
1.6012858
-
3-hydroxy-suberic acid
3-Hydroxysuberic acid
ME507704
-
-
2.1338
-
3-hydroxy-suberic acid -2.281
3-Hydroxysuberic acid
ME509426
-
-
2.281
-
3-hydroxy-tetradecanedioic acid
3-Hydroxy-tetradecanedioic acid
ME507889
-
-
1.392
-
3-iodo-hexadecanoic acid
-
ME507356
-
-
6.238875
-
3-Isopropyl-3-butenoic acid
-
ME507453
-
C11950
1.3761427
-
3-Isopropyl-3-butenoic acid -2.681
-
ME509427
-
C11950
2.681
-
3-Isopropylcatechol
3-Isopropylcatechol
ME508511
-
C01014
1.538
-
3-Isopropylcatechol -1.317
3-Isopropylcatechol
ME509428
-
C01014
1.317
-
3-Isopropylcatechol -1.632
3-Isopropylcatechol
ME508140
-
C01014
1.632
-
3-Keto-scyllo-inosamine
-
ME509429
-
C17576
6.069
-
3-Mercapto-2-mercaptomethylpropanoate
-
ME508141
-
C04371
1.349
-
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxi...
-
ME509430
-
C15078
1.194
-
3-methoxy Limaprost
-
ME508512
-
-
1.487
-
3-methyl-2,5-dioxo-3-Pyrrolidineacetic acid
-
ME509431
-
-
1.127
-
3-methyl-adipic acid
3-Methyladipic acid
ME507211
-
-
1.7568
-
3-methyl-adipic acid -1.3815
3-Methyladipic acid
ME507890
-
-
1.3815
-
3-methyl-adipic acid -1.4302106
3-Methyladipic acid
ME506859
-
-
1.4302106
-
3-methyl-adipic acid -1.839
3-Methyladipic acid
ME509432
-
-
1.839
-
3-methyl-adipic acid -1.9452858
3-Methyladipic acid
ME507454
-
-
1.9452858
-
3-methyl-adipic acid -5.694
3-Methyladipic acid
ME509433
-
-
5.694
-
3-Methylfluoranthene
-
ME509434
-
C19455
2.889
-
3-methyl-tetradecanedioic acid
3-Methyl-tetradecanedioic acid
ME508142
-
-
1.3379999
-
3-methyl-tetradecanedioic acid -1.4
3-Methyl-tetradecanedioic acid
ME509435
-
-
1.4
-
3-Methyluridine
3-Methyluridine
ME507553
-
-
1.6173334
-
3-oxoglycyrrhetinic acid
-
ME506902
-
C02943
0.8485883
-
3-oxo-nonanoic acid
-
ME507705
-
-
1.1728
-
3'-Oxopentobarbitone
-
ME507455
-
-
2.1209998
-
(3R)-3-isopropenyl-6-oxoheptanoic acid
-
ME506881
-
C11405
1.5818888
-
(3R)-3-isopropenyl-6-oxoheptanoic acid -1.2273333
-
ME508114
-
C11405
1.2273333
-
(3R)-3-isopropenyl-6-oxoheptanoic acid -1.39
-
ME509299
-
C11405
1.39
-
(3R)-3-isopropenyl-6-oxoheptanoic acid -1.867
-
ME509300
-
C11405
1.867
-
3R-hydroxy-tridecanoic acid
-
ME508513
-
-
1.651
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME508514
-
C00606
2.771
-
3-Sulfopyruvic acid
3-Sulfopyruvic acid
ME509436
-
C05528
1.373
-
4,12-dihydroxy-hexadecanoic acid
4,12-Dihydroxyhexadecanoic acid
ME508516
-
-
1.2495
-
4-(1-piperazinyl)-1H-Indole
-
ME509437
-
-
6.96
-
4-(2,3-dichlorophenyl)-5,7-dihydro-2-methyl-5-oxo-...
-
ME506835
-
-
1.9700499
-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME508515
-
C01252
1.9189999
-
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol
-
ME509438
-
-
1.578
-
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol -2.138
-
ME509439
-
-
2.138
-
4,4'-Biphenyldithiol
-
ME507156
-
C14569
2.110818
-
4,4'-Dichlorobenzophenone
-
ME507357
-
C06643
1.163375
-
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst...
-
ME509440
-
C14910
0.905
-
4,4'-Thiodianiline
-
ME509441
-
C19303
6.044
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME507891
-
C13693
6.26725
-
4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-y...
-
ME507554
-
-
1.0548333
-
4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-y...
-
ME509445
-
-
1.141
-
4,5-didemethylsimmondsin
-
ME508517
-
-
2.185
-
4,5'-Dimethylangelicin
-
ME509442
-
C19405
1.113
-
4,5-seco-Dopa
-
ME507107
-
C17758
0.7660834
-
4,7,10,13,16-Docosapentaynoic acid
-
ME509443
-
-
2.154
-
4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME509444
-
-
2.639
-
4-Acetamido-2-amino-6-nitrotoluene
-
ME509446
-
C16420
2.488
-
4-Amino-4-deoxychorismic acid
4-Amino-4-deoxychorismic acid
ME508518
-
C11355
0.7815
-
4-Amino-7-chloroquinoline
4-Amino-7-chloroquinoline
ME506731
-
-
1.1313703
-
4-Aminobenzenesulfonate
-
ME506860
-
C06335
1.6664737
-
4-Aminocatechol
-
ME507358
-
C18351
1.366625
-
4-Bromophenylthiourea
4-Bromophenylthiourea
ME509447
-
C14644
1.846
-
4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten...
-
ME507892
-
C15358
1.18525
-
4-Chlorobiphenyl
4-Chlorobiphenyl
ME509448
-
C06584
2.913
-
4-Chlorobiphenyl -1.1905
4-Chlorobiphenyl
ME508519
-
C06584
1.1905
-
4-Chlorochalcone
4-Chlorochalcone
ME506933
-
C14585
1.1309375
-
4-Dedimethylamino-4-oxo-anhydrotetracycline
-
ME509449
-
C06627
0.794
-
4-ethyl-hexanoic acid
-
ME508520
-
-
1.821
-
4-Formylsalicylic acid
-
ME506861
-
C14100
1.0262105
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME509450
-
C14236
1.173
-
4-Hydroxy-2-quinolone
Dihydroxyquinoline
ME506825
-
C16716
1.6019523
-
4-Hydroxy-2-quinolone -1.1643333
Dihydroxyquinoline
ME508143
-
C16716
1.1643333
-
4-Hydroxy-2-quinolone -1.20325
Dihydroxyquinoline
ME507359
-
C16716
1.20325
-
4-Hydroxy-2-quinolone -1.4356667
Dihydroxyquinoline
ME508144
-
C16716
1.4356667
-
4-Hydroxy-2-quinolone -1.712
Dihydroxyquinoline
ME508521
-
C16716
1.712
-
4-Hydroxy-2-quinolone -1.879154
Dihydroxyquinoline
ME507055
-
C16716
1.879154
-
4-Hydroxy-2-quinolone -1.972
Dihydroxyquinoline
ME508522
-
C16716
1.972
-
4-Hydroxy-2-quinolone -2.0
Dihydroxyquinoline
ME509451
-
C16716
2
-
4-Hydroxy-2-quinolone -2.345
Dihydroxyquinoline
ME508523
-
C16716
2.345
-
4-Hydroxy-2-quinolone -2.4002001
Dihydroxyquinoline
ME507706
-
C16716
2.4002001
-
4'-Hydroxy-5,7-dimethoxy-8-methylflavan
-
ME509452
-
-
1.24
-
4'-Hydroxy-5,7-dimethoxyflavanone 4'-[2-(5-Cinnamo...
-
ME509453
-
-
2.78
-
4-Hydroxyethinylestradiol
-
ME506637
-
-
0.99659365
-
4-Hydroxyethinylestradiol -1.1120001
-
ME507108
-
-
1.1120001
-
4-Hydroxyethinylestradiol -2.099
-
ME506638
-
-
2.099
-
4-Hydroxyethinylestradiol -2.409308
-
ME506746
-
-
2.409308
-
4-Hydroxyfurano[2'',3'':6,7]aurone
-
ME507360
-
-
2.8882499
-
4-Hydroxyfurano[2'',3'':6,7]aurone -2.9708
-
ME507707
-
-
2.9708
-
4-Hydroxyfurano[2'',3'':6,7]aurone -3.3066
-
ME507708
-
-
3.3066
-
4-Hydroxypenbutolol glucuronide
-
ME508525
-
-
1.859
-
4'-Hydroxypenbutolol glucuronide
-
ME508524
-
-
1.9005
-
4'-Hydroxypenbutolol glucuronide -2.5305
-
ME508526
-
-
2.5305
-
4'-Hydroxypenbutolol glucuronide -3.255
-
ME508527
-
-
3.255
-
4'-Hydroxypenbutolol glucuronide -3.354
-
ME509454
-
-
3.354
-
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME507709
-
-
1.2494
-
4-Hydroxyphenyllactic acid -1.3204999
4-Hydroxyphenyllactic acid
ME508528
-
-
1.3204999
-
4-Hydroxyphenyllactic acid -1.547
4-Hydroxyphenyllactic acid
ME509455
-
-
1.547
-
4-keto palmitic acid
-
ME508145
-
-
1.14
-
4-Ketoretinoic acid glucuronide
-
ME509456
-
-
3.679
-
4-Methyl-3-oxoadipate
-
ME508146
-
C18312
1.9443334
-
4-Methylbenzyl alcohol
-
ME508529
-
C06757
1.1915
-
4-Methylhistamine
-
ME507007
-
C17929
5.828572
-
4-Methylthiobutyl-desulfoglucosinolate
-
ME508530
-
C17248
2.6104999
-
4-Methylthiobutylthiohydroximate
-
ME509457
-
C17243
1.184
-
4-Methylthiobutylthiohydroximate -1.182
-
ME509458
-
C17243
1.182
-
4-Methylumbelliferyl ?-D-glucuronide
4-Methylumbelliferyl glucuronide
ME509459
-
C11584
1.11
-
4-Methylumbelliferyl sulfate
4-Methylumbelliferyl sulfate
ME507109
-
C11585
3.0904167
-
4-octenal
-
ME509460
-
-
1.267
-
4-Oxo-1-(3-pyridyl)-1-butanone
-
ME506826
-
C19567
1.6017141
-
4-Oxo-1-(3-pyridyl)-1-butanone -1.246
-
ME508532
-
C19567
1.246
-
4-Oxo-1-(3-pyridyl)-1-butanone -1.8735
-
ME508533
-
C19567
1.8735
-
4-Oxo-1-(3-pyridyl)-1-butanone -2.4285
-
ME507893
-
C19567
2.4285
-
4-oxo capric acid
-
ME508531
-
-
1.5285001
-
4-Oxovalproic acid
-
ME509461
-
C16655
1.189
-
4-Pentenoic acid, 3-oxo-
-
ME508147
-
-
2.783
-
4-Pentenoic acid, 3-oxo- -2.8733332
-
ME508148
-
-
2.8733332
-
4-Pentenoic acid, 3-oxo- -2.92
-
ME509462
-
-
2.92
-
4-Pentenoic acid, 3-oxo- -5.7076664
-
ME508149
-
-
5.7076664
-
4-Pentenoic acid, 3-oxo- -6.056
-
ME509463
-
-
6.056
-
4-Phospho-N-pantothenoylcysteine
-
ME507894
-
-
1.19725
-
4-Phosphopantothenoylcysteine
-
ME506639
-
C04352
0.9853438
-
4-Phosphopantothenoylcysteine -1.1252
-
ME507212
-
C04352
1.1252
-
4-Phosphopantothenoylcysteine -1.1638001
-
ME506759
-
C04352
1.1638001
-
4-Propylphenol
4-Propylphenol
ME509464
-
C14311
1.527
-
4-Pyridoxic acid
4-Pyridoxic acid
ME509465
-
C00847
2.981
-
4-Pyridylthioamide
-
ME509466
-
-
1.201
-
(4S)-4,5-Dihydroxypentan-2,3-dione
-
ME506929
-
C11838
1.6589999
-
(4S)-4,5-Dihydroxypentan-2,3-dione -6.062
-
ME509301
-
C11838
6.062
-
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate
-
ME507202
-
C04471
6.0668
-
4-Sulfobenzaldehyde
-
ME507157
-
C06679
0.88854545
-
4-Sulfobenzaldehyde -0.99399996
-
ME508534
-
C06679
0.99399996
-
4-Sulfobenzoate
4-Sulfobenzoic acid
ME508535
-
C02236
0.79050004
-
4-Sulfobenzoate -0.913
4-Sulfobenzoic acid
ME508536
-
C02236
0.913
-
4-Sulfobenzoate -1.839
4-Sulfobenzoic acid
ME509467
-
C02236
1.839
-
4-Sulfobenzyl alcohol
-
ME507284
-
C06678
0.7756666
-
4-Sulfobenzyl alcohol -2.237
-
ME509468
-
C06678
2.237
-
4-Sulfobenzyl alcohol -2.2875884
-
ME506903
-
C06678
2.2875884
-
4-Sulfolactone
-
ME506934
-
C06676
2.171
-
4-Sulfolactone -2.21
-
ME509469
-
C06676
2.21
-
4-Sulfolactone -2.2556365
-
ME507158
-
C06676
2.2556365
-
4-Sulfolactone -2.3354669
-
ME506971
-
C06676
2.3354669
-
5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
-
ME509470
-
-
2.009
-
5-(3-Buten-1-ynyl)-2,2'-bithiophene
-
ME507056
-
C08397
2.2013078
-
5-(3-Buten-1-ynyl)-2,2'-bithiophene -2.2383335
-
ME508150
-
C08397
2.2383335
-
5-(3-Buten-1-ynyl)-2,2'-bithiophene -2.3270001
-
ME508537
-
C08397
2.3270001
-
5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisofla...
-
ME507556
-
-
1.1018333
-
5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyi...
-
ME509471
-
-
2.406
-
5,4'-Dihydroxy-7'-methoxy-8-methylflavan
-
ME507008
-
-
1.1748571
-
5,4'-Dihydroxy-7'-methoxy-8-methylflavan -1.502
-
ME508151
-
-
1.502
-
5,4'-Dihydroxy-7'-methoxy-8-methylflavan -1.546555...
-
ME506889
-
-
1.5465555
-
5,4'-Dihydroxy-7'-methoxy-8-methylflavan -1.608
-
ME509472
-
-
1.608
-
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
-
ME506888
-
C04486
2.299833
-
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene -2.138
-
ME508538
-
C04486
2.138
-
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene -2.231500...
-
ME508539
-
C04486
2.2315001
-
5,6-Dihydroxy-7,8,4'-trimethoxyflavone
-
ME508540
-
-
0.856
-
5,7,2',3',4'-Pentamethoxyflavanone
-
ME509473
-
-
1.14
-
5,7,2',5'-Tetramethoxyflavanone
-
ME507895
-
-
2.37375
-
5,7,2',5'-Tetramethoxyflavanone -2.404
-
ME509474
-
-
2.404
-
5,7,3',4',5'-Pentahydroxyflavanone
-
ME508541
-
-
1.4805
-
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
-
ME507710
-
-
1.2418001
-
5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone
-
ME508152
-
-
1.245
-
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME507286
-
C16365
1.7125555
-
5-Acetylamino-6-formylamino-3-methyluracil -1.197
5-Acetylamino-6-formylamino-3-methyluracil
ME509475
-
C16365
1.197
-
5a-Dihydrotestosterone sulfate
5alpha-Dihydrotestosterone sulfate
ME506805
-
-
0.9332726
-
5a-Dihydrotestosterone sulfate -0.98
5alpha-Dihydrotestosterone sulfate
ME509476
-
-
0.98
-
5a-Dihydrotestosterone sulfate -0.98774993
5alpha-Dihydrotestosterone sulfate
ME507898
-
-
0.98774993
-
5a-Dihydrotestosterone sulfate -1.031
5alpha-Dihydrotestosterone sulfate
ME507557
-
-
1.031
-
5-aminosalicyluric acid
5-Aminosalicyluric acid
ME509477
-
-
6.052
-
5-aminosalicyluric acid -0.7385
5-Aminosalicyluric acid
ME508542
-
-
0.7385
-
5-Azacytidine 5'-diphosphate
-
ME509478
-
-
2.673
-
5-azauridine
-
ME508543
-
-
1.642
-
5b-Pregnanediol
-
ME507899
-
C01523
1.34025
-
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-am...
-
ME507896
-
-
3.31
-
5?-Cholestane-3?,6?,7?,25,26-pentol
-
ME507711
-
-
1.2906001
-
5?-Cholestane-3?,7?,12?,24,26,27-hexol
-
ME507897
-
-
1.38475
-
5-Cholestene-3?,7?,12?,25,26-pentol
-
ME506862
-
-
1.5056314
-
5-Cholestene-3?,7?,12?,25,26-pentol -1.4466667
-
ME508153
-
-
1.4466667
-
5?-Cyprinolsulfate
-
ME507285
-
C05468
1.4928889
-
5?-Cyprinolsulfate -5.9649453
-
ME506890
-
C05468
5.9649453
-
5-Fluoromuconolactone
-
ME507057
-
C16477
2.0456922
-
5-Fluoromuconolactone -2.017
-
ME508544
-
C16477
2.017
-
5-Fluoromuconolactone -2.144
-
ME509479
-
C16477
2.144
-
5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-6-ol, 8-chlo...
-
ME508545
-
-
0.802
-
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoi...
-
ME507110
-
-
1.4248333
-
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...
-
ME509480
-
-
1.853
-
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...
-
ME509481
-
-
2.093
-
5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyfla...
-
ME508546
-
-
0.8865
-
5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavon...
-
ME507456
-
-
2.4112859
-
5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside
-
ME508547
-
-
1.3794999
-
5-Hydroxycisapride
-
ME509482
-
-
1.674
-
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME507159
-
C12204
1.3972726
-
5-Hydroxyectoine
5-Hydroxyectoine
ME508548
-
C16432
1.549
-
5-Hydroxyferulate
-
ME509483
-
C05619
0.895
-
5-Hydroxyindol-2-carboxylic acid
-
ME507900
-
-
2.20775
-
5-Hydroxyindol-2-carboxylic acid -2.229
-
ME509484
-
-
2.229
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME508154
-
C11821
1.4710001
-
5-Methyl-2-furaldehyde
-
ME509485
-
C11115
1.437
-
5-Methyl-2-furaldehyde -1.1259999
-
ME507287
-
C11115
1.1259999
-
5-O-Feruloylquinic acid
3-O-Feruloylquinic acid
ME507213
-
C02572
2.7788
-
5-O-Feruloylquinic acid -2.609
3-O-Feruloylquinic acid
ME509486
-
C02572
2.609
-
5-O-Feruloylquinic acid -2.848
3-O-Feruloylquinic acid
ME509487
-
C02572
2.848
-
5-O-Feruloylquinic acid -2.915091
3-O-Feruloylquinic acid
ME507160
-
C02572
2.915091
-
5-O-Methylvisamminol
5-O-Methylvisamminol
ME507058
-
C09016
1.2524617
-
5-Oxoavermectin ''1b'' aglycone
-
ME507558
-
C11962
5.9673333
-
5''-Phosphoribostamycin
-
ME508549
-
C18004
1.8989999
-
5''-Phosphoribostamycin -2.5314999
-
ME508550
-
C18004
2.5314999
-
5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoi...
-
ME507361
-
-
0.90674996
-
5-Phosphoribosylamine
5-Phosphoribosylamine
ME509488
-
C03090
2.138
-
5(S),12(R)-DiHETE
LTB4
ME507555
-
-
1.1165
-
5-Sulfosalicylic acid
5-Sulfosalicylic acid
ME509489
-
C16199
0.867
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME509292
-
C04875
1.112
-
5-Trifluoromethyl-2,4-disulfamoylaniline
-
ME507901
-
-
2.922
-
6-(2-Chloroallylthio)purine
-
ME507559
-
C15397
1.1983333
-
6-(2-Chloroallylthio)purine -1.193
-
ME509490
-
C15397
1.193
-
6-(2-Chloroallylthio)purine -5.412
-
ME507560
-
C15397
5.412
-
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglyco...
-
ME508551
-
C11961
0.94799995
-
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglyco...
-
ME508552
-
C11953
1.2520001
-
6,8-Dihydroxypurine
6,8-Dihydroxypurine
ME506641
-
-
1.9835312
-
6,8-Dihydroxypurine -2.1185
6,8-Dihydroxypurine
ME508553
-
-
2.1185
-
6,8-Dihydroxypurine -2.338
6,8-Dihydroxypurine
ME509493
-
-
2.338
-
6,8-Dihydroxypurine -2.4969285
6,8-Dihydroxypurine
ME507009
-
-
2.4969285
-
6-(Allylthio)purine
-
ME509491
-
C15348
1.453
-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cycli...
-
ME509492
-
C16070
1.138
-
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate
-
ME507561
-
C15256
1.0688332
-
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate ...
-
ME509495
-
C15256
1.037
-
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,...
-
ME508555
-
-
1.163
-
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,...
-
ME509496
-
-
1.392
-
6E-nonenoic acid
-
ME508556
-
-
1.24
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol
-
ME507540
-
C04166
1.1253333
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionol -1.3475
-
ME508418
-
C04166
1.3475
-
6-hydroxy caproic acid
6-Hydroxycaproic acid
ME507111
-
C06103
1.3890834
-
6-HydroxyKetanserin
-
ME509497
-
-
1.537
-
6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutar...
-
ME508557
-
-
1.421
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate
-
ME509498
-
C04584
5.672
-
6-(Isopropylthio)purine
-
ME506640
-
C15347
1.0309688
-
6k-PGF1alpha-d4
6-Keto-PGF1alpha
ME509499
-
C05961
1.233
-
6-Methylmercaptopurine
6-Methylthiopurine
ME507902
-
C16614
2.1215
-
6-Methylmercaptopurine -2.3945
6-Methylthiopurine
ME508558
-
C16614
2.3945
-
6-Methylmercaptopurine -3.3528
6-Methylthiopurine
ME507712
-
C16614
3.3528
-
6?-Methylprednisolone Acetate
-
ME507214
-
C08179
1.0760999
-
6?-Methylprednisolone Acetate -1.0103333
-
ME508155
-
C08179
1.0103333
-
6?-Methylprednisolone Acetate -1.056
-
ME508554
-
C08179
1.056
-
6?-Methylprednisolone Acetate -1.097
-
ME509494
-
C08179
1.097
-
6-Methylthiopurine ribonucleotide
-
ME509500
-
C16615
0.998
-
6-Oxocineole
6-Oxocineole
ME508559
-
C00848
1.2035
-
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-aden...
(S)-NADHX
ME509302
-
C04856
1.114
-
6-Sialyl-N-acetyllactosamine
-
ME507713
-
-
1.0754
-
6-Thioguanosine monophosphate
-
ME507903
-
C16619
2.78275
-
6-Thioguanosine monophosphate -2.9136667
-
ME508156
-
C16619
2.9136667
-
6-Thiouric acid
-
ME507562
-
C16613
1.2576666
-
6-Thiouric acid -1.289
-
ME509501
-
C16613
1.289
-
6-Thiouric acid -2.2332501
-
ME507904
-
C16613
2.2332501
-
6-Thiouric acid -3.2354999
-
ME508560
-
C16613
3.2354999
-
6-Thiouric acid -3.318
-
ME509502
-
C16613
3.318
-
6-Thioxanthine
-
ME508157
-
-
2.3656666
-
6-Thioxanthine -2.2635
-
ME508561
-
-
2.2635
-
6Z,11Z-octadecadienoic acid
-
ME509503
-
-
1.087
-
7,4'-Dihydroxy-8-prenylflavone
-
ME509504
-
-
2.129
-
7-Chloroethyltheophylline
-
ME507457
-
-
2.4405713
-
7-Chloroethyltheophylline -2.9164999
-
ME507905
-
-
2.9164999
-
7-Chlorokynurenic Acid
-
ME509506
-
-
1.477
-
7-Dehydrologanin tetraacetate
7-Dehydrologanin tetraacetate
ME507563
-
C11668
0.9208333
-
7-Deoxyloganate
-
ME509507
-
C11636
2.776
-
7?-Hydroxy-3-oxochola-1,4-dien-24-oic Acid
-
ME509505
-
-
1.212
-
7-Hydroxy-5,8,2'-trimethoxyflavanone
-
ME509508
-
-
1.175
-
7?-Hydroxy-5?-cholan-24-oic Acid
-
ME506760
-
-
1.1748002
-
7-Hydroxyrisperidone
-
ME508158
-
-
1.0943333
-
7-hydroxy Tetranor Iloprost
-
ME508562
-
-
2.4264998
-
7-keto-n-caprylic acid
-
ME508563
-
-
2.369
-
7-Methylxanthine
7-Methylxanthine
ME507010
-
C16353
1.1597143
-
7-Methylxanthine -1.7006316
7-Methylxanthine
ME506863
-
C16353
1.7006316
-
7-Methylxanthine -3.438
7-Methylxanthine
ME509509
-
C16353
3.438
-
7-nonynoic acid
-
ME508564
-
-
1.0975001
-
7-nonynoic acid -1.258
-
ME508159
-
-
1.258
-
7-nonynoic acid -1.544
-
ME509510
-
-
1.544
-
7-Oxoheptanoic acid
-
ME507714
-
C16590
1.4223999
-
7-Oxoheptanoic acid -2.083
-
ME509511
-
C16590
2.083
-
7-Sulfocholic acid
7-Sulfocholic acid
ME506904
-
-
1.1529412
-
7-Sulfocholic acid -1.2636191
7-Sulfocholic acid
ME506827
-
-
1.2636191
-
7-Sulfocholic acid -1.3797001
7-Sulfocholic acid
ME507215
-
-
1.3797001
-
7-Sulfocholic acid -1.459
7-Sulfocholic acid
ME508565
-
-
1.459
-
7-Sulfocholic acid -1.4835
7-Sulfocholic acid
ME507216
-
-
1.4835
-
7-Sulfocholic acid -1.775588
7-Sulfocholic acid
ME506905
-
-
1.775588
-
7-Sulfocholic acid -1.8697693
7-Sulfocholic acid
ME507059
-
-
1.8697693
-
8-Demethyllatifolin
-
ME509512
-
-
1.788
-
8-Demethyllatifolin -1.946
-
ME508160
-
-
1.946
-
8-Demethyllatifolin -2.4451668
-
ME507564
-
-
2.4451668
-
8-Dimethylallyllisetin
-
ME507288
-
-
7.3444443
-
8-D-Olivosyl-landomycin
-
ME508566
-
C18778
5.4315
-
8-D-Olivosyl-landomycin -5.52
-
ME508567
-
C18778
5.52
-
8-D-Olivosyl-landomycin -5.631
-
ME508568
-
C18778
5.631
-
8-D-Olivosyl-landomycin -5.689
-
ME509513
-
C18778
5.689
-
8E,10E-Pentadecadienyl acetate
-
ME508569
-
-
1.1115
-
(Ñ©8-gingerol
-
ME507203
-
-
0.81930006
-
(Ñ©8-gingerol -1.1225
-
ME507343
-
-
1.1225
-
(Ñ©8-gingerol -1.3866667
-
ME507542
-
-
1.3866667
-
8-Hydroxy-7-methylguanine
8-Hydroxy-7-methylguanine
ME506906
-
-
2.972
-
8-Hydroxyadenine
8-Hydroxyadenine
ME509514
-
-
2.951
-
8-Hydroxyadenine -3.929
8-Hydroxyadenine
ME509515
-
-
3.929
-
8-Hydroxyprochlorperazine glucuronide
-
ME507715
-
-
1.6295999
-
8-Hydroxypurine
-
ME509516
-
-
5.706
-
8-Hydroxyquercetagetin
-
ME506907
-
-
1.111353
-
8-Iodocatechin Tetramethyl Ether
-
ME509517
-
-
1.501
-
8-oxo-9,11-octadecadiynoic acid
-
ME509518
-
-
1.441
-
8S-hydroxy-2E-Decene-4,6-diynoic acid
-
ME509519
-
-
1.34
-
8-tridecynoic acid
-
ME506747
-
-
1.1728461
-
8-tridecynoic acid -1.115
-
ME508570
-
-
1.115
-
8Z-undecenoic acid
-
ME507906
-
-
1.2455001
-
9,10-epoxy-13-hydroxy-11-octadecenoic acid
-
ME507060
-
C14834
1.1334615
-
9,10-Epoxy-18-hydroxystearate
-
ME507907
-
C19620
1.11625
-
9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,...
-
ME509520
-
-
1.354
-
9,11-Octadecadiynoic acid, 8-oxo-
-
ME508161
-
-
1.1379999
-
9,12-dioxo-dodecanoic acid
9,12-Dioxo-dodecanoic acid
ME506908
-
-
1.2331764
-
9,12-dioxo-dodecanoic acid -1.3846666
9,12-Dioxo-dodecanoic acid
ME508162
-
-
1.3846666
-
9,12-dioxo-dodecanoic acid -1.4482608
9,12-Dioxo-dodecanoic acid
ME506791
-
-
1.4482608
-
9,12-dioxo-dodecanoic acid -1.4790001
9,12-Dioxo-dodecanoic acid
ME508163
-
-
1.4790001
-
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydro...
-
ME507908
-
C14638
0.87475
-
9-cis-Retinoic acid
9-cis-Retinoic acid
ME507161
-
C15493
1.0896364
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid
-
ME506775
-
-
1.3806666
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME509521
-
-
1.505
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME508571
-
-
1.6275
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME509522
-
-
1.731
-
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid...
-
ME508164
-
-
1.7983333
-
9-hydroxy-16-oxo-hexadecanoic acid
-
ME509523
-
-
1.203
-
9-hydroxy-16-oxo-hexadecanoic acid -1.517
-
ME509524
-
-
1.517
-
9-Hydroxy-2,6-dichlorodibenzofuran
-
ME508572
-
C15247
1.247
-
9-hydroxy-hexadecan-1,16-dioic acid
xi-8-Hydroxyhexadecanedioic acid
ME507112
-
-
1.2950834
-
9-hydroxy-hexadecan-1,16-dioic acid -2.198
xi-8-Hydroxyhexadecanedioic acid
ME509525
-
-
2.198
-
9-Hydroxyrisperidone
-
ME508165
-
-
0.85700005
-
9-Hydroxyrisperidone -1.2563334
-
ME508166
-
-
1.2563334
-
9-Hydroxyrisperidone -1.6941334
-
ME506972
-
-
1.6941334
-
9R,10S,18-trihydroxy-stearic acid
-
ME507362
-
-
1.335125
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME506806
-
-
1.3171362
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid -1.260...
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME507162
-
-
1.2605456
-
9S,12S,13S-trihydroxy-10E-octadecenoic acid
9,12,13-TriHOME
ME508167
-
C14833
1.2133332
-
9-undecynoic acid
-
ME508573
-
-
1.2490001
-
Abu-Asp-OH
-
ME508574
-
-
2.0865002
-
Abu-Asp-OH -2.118
-
ME508575
-
-
2.118
-
Acamprosate
Acamprosate
ME507565
-
-
2.6606667
-
Acamprosate -2.12
Acamprosate
ME509526
-
-
2.12
-
Acamprosate -5.9867997
Acamprosate
ME507716
-
-
5.9867997
-
Acamprosate -6.04405
Acamprosate
ME506836
-
-
6.04405
-
Acarbose (component 1)
-
ME508576
-
-
1.3594999
-
Acarbose (Glucobay)
Acarbose
ME508577
-
C06802
6.0565
-
Acarbose (M8)
-
ME508578
-
-
1.832
-
Acenaphthenequinone
Acenaphthenequinone
ME508168
-
C02807
6.1456666
-
Acesulfame-K
-
ME508579
-
-
0.8965
-
Acetic acid
Acetic acid
ME507289
-
C00033
2.8979998
-
Acetic acid -2.748
Acetic acid
ME509527
-
C00033
2.748
-
Acetic acid -2.8195999
Acetic acid
ME507717
-
C00033
2.8195999
-
Acetic acid -2.899
Acetic acid
ME509528
-
C00033
2.899
-
Acetylcorynoline
-
ME507718
-
-
0.919
-
Acetylenedicarboxylate
Acetylenedicarboxylate
ME506704
-
C03248
5.691934
-
Acetylenedicarboxylate -5.7765
Acetylenedicarboxylate
ME507566
-
C03248
5.7765
-
Acetylshikonin
-
ME507217
-
C17413
1.1028001
-
Acetylshikonin -1.1595384
-
ME507061
-
C17413
1.1595384
-
Acetylshikonin -1.3303845
-
ME507062
-
C17413
1.3303845
-
Acetylshikonin -1.4697
-
ME507218
-
C17413
1.4697
-
Acetylshikonin -1.5375884
-
ME506909
-
C17413
1.5375884
-
Acetylshikonin -1.6105001
-
ME508580
-
C17413
1.6105001
-
Aclacinomycin S
-
ME506642
-
C18635
1.0401251
-
Adenine
Adenine
ME509529
-
C00147
3.612
-
Agavegenin A
-
ME507458
-
-
1.4074286
-
Agavegenin A -1.162
-
ME509530
-
-
1.162
-
ajugalactone
-
ME506935
-
C08810
1.2216876
-
Akeboside Ste
-
ME508169
-
C17548
1.6890001
-
Aknadicine
Aknadicine
ME507909
-
C09325
1.342
-
AK-toxin I
AK toxin I
ME507567
-
C16787
1.499
-
Ala Gln Phe
Ala-Gln-Phe
ME508581
-
-
2.9185
-
Alanylclavam
-
ME508582
-
C17360
5.6745
-
Alanylclavam -1.13
-
ME508583
-
C17360
1.13
-
alatolide
-
ME508584
-
C09290
2.063
-
alatolide -2.8825
-
ME508585
-
C09290
2.8825
-
Ala Trp Ala
Ala-Trp-Ala
ME509531
-
-
1.32
-
Ala Trp Arg
Ala-Trp-Arg
ME509532
-
-
1.478
-
albendazole (V)
-
ME509533
-
-
3.022
-
Alfentanil
Alfentanil
ME507363
-
C08005
1.684875
-
Alfentanil -1.5295
Alfentanil
ME508586
-
C08005
1.5295
-
Alfentanil -1.8429999
Alfentanil
ME508587
-
C08005
1.8429999
-
Allamandin
Allamandin
ME509534
-
C09766
1.396
-
Allopregnanalone sulfate
-
ME507011
-
-
0.9220714
-
allopurinol
Allopurinol
ME506686
-
C06816
2.7853875
-
Allosamidine
-
ME508588
-
C05346
5.969
-
Allyxycarb
-
ME509535
-
C18947
2.41
-
alpha-Antiarin
alpha-Antiarin
ME509536
-
C08847
1.112
-
alpha-Fluoro-beta-alanine
-
ME509537
-
C16632
1.196
-
alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid
-
ME508589
-
C15120
1.5109999
-
alpha-Terthienyl
-
ME509538
-
C08460
1.214
-
Alteichin
Alteichin
ME509539
-
C10295
3.148
-
Alteichin -3.4125
Alteichin
ME508590
-
C10295
3.4125
-
Alteichin -4.123
Alteichin
ME509540
-
C10295
4.123
-
altretamine
Altretamine
ME508170
-
-
1.1283332
-
Amisulbrom
-
ME509541
-
C18581
0.762
-
AMPA
Ampa
ME509542
-
C13672
1.697
-
Amprenavir
Amprenavir
ME508591
-
C08086
1.9015
-
Amprenavir -3.2565
Amprenavir
ME508592
-
C08086
3.2565
-
Ancitabine
Ancitabine
ME508593
-
-
2.161
-
Androsterone glucuronide
Androsterone 3-glucuronide
ME508594
-
C11135
1.8594999
-
Angolensic Acid, Methyl Ester
-
ME506936
-
-
1.077625
-
Angolensic Acid, Methyl Ester -1.1289166
-
ME507113
-
-
1.1289166
-
Angolensic Acid, Methyl Ester -1.4619999
-
ME507568
-
-
1.4619999
-
Anibine
-
ME507719
-
C10127
6.0309997
-
Anibine -6.026
-
ME509543
-
C10127
6.026
-
Anisole
Anisole
ME507364
-
C01403
1.2725
-
Anisole -0.775
Anisole
ME508595
-
C01403
0.775
-
Antimony tartrate
-
ME508596
-
C11340
5.773
-
Antirrhinoside
Antirrhinoside
ME508597
-
C09768
6.053
-
APC
ApC
ME507720
-
C16542
1.3873999
-
Arabinosylhypoxanthine
-
ME507163
-
-
2.3115454
-
Arabinosylhypoxanthine -1.1125001
-
ME507910
-
-
1.1125001
-
Arabinosylhypoxanthine -3.0118744
-
ME506643
-
-
3.0118744
-
Aralionine A
Aralionine A
ME509544
-
C09999
0.924
-
Archaetidylglycerol-myo-inositol
-
ME508598
-
-
1.3599999
-
Archangelolide
-
ME508599
-
C09296
3.2565
-
Arene oxide
-
ME507911
-
C01782
1.18625
-
Arg Glu Gly
Arg-Glu-Gly
ME507912
-
-
2.1635
-
Arg Glu Gly -2.217
Arg-Glu-Gly
ME509545
-
-
2.217
-
Arg Met Lys
Arg-Met-Lys
ME507913
-
-
1.8365
-
Arg Phe Pro
Arg-Phe-Pro
ME508600
-
-
1.3299999
-
Arg Phe Thr
Arg-Phe-Thr
ME506837
-
-
1.0494499
-
Arg Trp Arg
Arg-Trp-Arg
ME507365
-
-
1.345
-
Arg Trp Arg -2.537
Arg-Trp-Arg
ME508601
-
-
2.537
-
Arg Trp Trp
Arg-Trp-Trp
ME509546
-
-
1.24
-
Argyrolobine
Argyrolobine
ME507721
-
C10754
2.1355999
-
Argyrolobine -2.787
Argyrolobine
ME509547
-
C10754
2.787
-
Argyrolobine -2.971
Argyrolobine
ME509548
-
C10754
2.971
-
Argyrolobine -3.367
Argyrolobine
ME508602
-
C10754
3.367
-
Argyrolobine -3.5085
Argyrolobine
ME508603
-
C10754
3.5085
-
Artemether
Artemether
ME508604
-
-
1.535
-
Artemetin
-
ME509549
-
-
2.589
-
Artemetin -1.2420001
-
ME508171
-
-
1.2420001
-
Artocarpetin B
-
ME508172
-
-
0.92333335
-
Artoindonesianin A
-
ME507366
-
-
1.6935
-
Artoindonesianin A -3.2625
-
ME508605
-
-
3.2625
-
(-)-Asbestinine 2
-
ME509288
-
-
1.249
-
Asn Asn Asn
Asn-Asn-Asn
ME508173
-
-
2.9693334
-
Asn Asp
Asn-Asp
ME507164
-
-
0.9912727
-
Asn Asp Tyr
Asn-Asp-Tyr
ME509550
-
-
1.118
-
Asn His Ile
Asn-His-Ile
ME509551
-
-
2.745
-
Asn Phe Lys
Asn-Phe-Lys
ME508606
-
-
1.3915
-
Asn Trp Leu
Asn-Trp-Leu
ME508607
-
-
1.58
-
Asn-Trp-OH
-
ME507063
-
-
0.9773076
-
Asn-Trp-OH -1.111
-
ME508174
-
-
1.111
-
Asp-Asn-OH
-
ME508175
-
-
1.5336666
-
Asp Cys
Asp-Cys
ME507722
-
-
5.7468004
-
Asp Cys -5.786266
Asp-Cys
ME506973
-
-
5.786266
-
Asp Cys -6.03619
Asp-Cys
ME506828
-
-
6.03619
-
Aspidinol
Aspidinol
ME506761
-
C10673
1.4776399
-
Aspidinol -1.513
Aspidinol
ME509554
-
C10673
1.513
-
Aspirin
Aspirin
ME508176
-
C01405
1.2406667
-
Asp-Lys-OH
-
ME509555
-
-
1.492
-
Asp-Met-OH
-
ME509556
-
-
1.185
-
Asp Phe Lys
Asp-Phe-Lys
ME509552
-
-
1.47
-
Asp Pro Gln
Asp-Pro-Gln
ME509553
-
-
4.09
-
Asp Thr Phe
Asp-Thr-Phe
ME507914
-
-
2.0005
-
Asp Trp Arg
Asp-Trp-Arg
ME507459
-
-
1.3390001
-
Astaxanthin glucoside
Astaxanthin glucoside
ME507723
-
-
1.3782
-
Auranofin
-
ME509557
-
C06836
1.039
-
Aurasperone D
Aurasperone D
ME508608
-
C08995
1.463
-
Auricularine
Auricularine
ME507064
-
C09043
0.8333077
-
Avenacin B-2
-
ME507219
-
C08927
1.0451
-
Avermectin A2a aglycone
Avermectin A2a aglycone
ME508609
-
C11972
1.344
-
Avermectin B1b aglycone
-
ME507915
-
C11963
5.945
-
Avermectin B1b aglycone -1.0295
-
ME508610
-
C11963
1.0295
-
Ayapin
-
ME508611
-
C18078
2.4245
-
Azafenidin
-
ME507114
-
C10895
1.526
-
Azathioprine
Azathioprine
ME508177
-
C06837
1.3383335
-
Aziridyl benzoquinone
-
ME506732
-
C19333
2.091852
-
Aziridyl benzoquinone -2.111
-
ME508178
-
C19333
2.111
-
Bacterio-chlorophyll b
-
ME509558
-
C11243
1.518
-
bacteriohopane-32,33, 34-triol-35-carbamate
-
ME506864
-
-
1.0320525
-
Baptifoline
Baptifoline
ME508179
-
C10755
2.4156668
-
Baptifoline -2.939
Baptifoline
ME507916
-
C10755
2.939
-
Baptifoline -2.954
Baptifoline
ME509559
-
C10755
2.954
-
Baptifoline -3.5265002
Baptifoline
ME508612
-
C10755
3.5265002
-
Baptifoline -3.586
Baptifoline
ME508613
-
C10755
3.586
-
Baptifoline -3.629
Baptifoline
ME509560
-
C10755
3.629
-
Baptifoline -3.72
Baptifoline
ME509561
-
C10755
3.72
-
Barbatoflavan
-
ME506937
-
-
1.0128126
-
Barbatoflavan -1.032
-
ME509562
-
-
1.032
-
Barbatoflavan -1.1152856
-
ME507460
-
-
1.1152856
-
BAY-60-7550
-
ME507367
-
-
1.972875
-
BAY-60-7550 -1.42225
-
ME507917
-
-
1.42225
-
BAY-60-7550 -2.0805001
-
ME508614
-
-
2.0805001
-
bayogenin 3-O-cellobioside
-
ME507115
-
C08932
1.0991668
-
bayogenin 3-O-cellobioside -1.045
-
ME509563
-
C08932
1.045
-
bayogenin 3-O-cellobioside -1.1213332
-
ME508180
-
C08932
1.1213332
-
Beclomethasone dipropionate
-
ME508615
-
C07813
1.494
-
Beclomethasone dipropionate -1.713
-
ME509564
-
C07813
1.713
-
Benfuresate
-
ME509565
-
C18452
5.85
-
Benodanil
-
ME509566
-
C18907
1.252
-
Benoxacor
-
ME506938
-
C10964
2.2159998
-
Benoxacor -2.2353334
-
ME508181
-
C10964
2.2353334
-
Benoxacor -2.357
-
ME509567
-
C10964
2.357
-
Benoxacor -2.492
-
ME509568
-
C10964
2.492
-
Benquinox
-
ME509569
-
C18924
2.052
-
Benthiavalicarb isopropyl
-
ME508616
-
C18415
2.1
-
Benzal chloride
-
ME507116
-
C19165
7.222917
-
Benzal chloride -7.2395
-
ME508617
-
C19165
7.2395
-
Benzal chloride -7.2725005
-
ME507220
-
C19165
7.2725005
-
Benzal chloride -7.327
-
ME509570
-
C19165
7.327
-
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME507918
-
C09816
1.1899999
-
Bestatin
Bestatin
ME508618
-
C00732
2.611
-
Bestatin -2.7367501
Bestatin
ME507919
-
C00732
2.7367501
-
Bestatin -2.857
Bestatin
ME508182
-
C00732
2.857
-
Bestatin -3.302
Bestatin
ME509571
-
C00732
3.302
-
Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol
-
ME509572
-
C05860
5.702
-
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosp...
-
ME509573
-
C04830
5.675
-
beta-Snyderol
-
ME509574
-
C17179
2.94
-
b-Glucose
Glucose
ME507368
-
C00221
2.8125
-
b-Glucose -2.9282498
Glucose
ME507920
-
C00221
2.9282498
-
Bicalutamide
Bicalutamide
ME509575
-
C08160
0.984
-
Bifonazole
-
ME509576
-
-
2.453
-
BILA 2185BS
-
ME509577
-
C15657
1.207
-
Biliverdin IX
Biliverdin
ME508619
-
C00500
1.0295
-
Bis(4-hydroxyphenyl)methanol
-
ME508620
-
C18215
1.2305
-
bis(7)-Tacrine
-
ME507921
-
-
0.838
-
Bisindolylmaleimide I
Bisindolylmaleimide i
ME507290
-
C11238
0.93011105
-
Bisindolylmaleimide I -0.988
Bisindolylmaleimide i
ME509578
-
C11238
0.988
-
Bismuth subsalicylate
Bismuth Subsalicylate
ME507165
-
C07870
1.6025453
-
Bisulfite
-
ME509579
-
C11481
2.261
-
Boc-Asn
-
ME507065
-
C01410
6.204539
-
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe
-
ME509580
-
-
3.395
-
Borreverine
Borreverine
ME507461
-
C09082
0.836
-
Braxoron
-
ME508621
-
C14647
2.236
-
Brevetoxin C
-
ME508622
-
C20015
1.01
-
brinzolamide
Brinzolamide
ME509581
-
C07760
1.967
-
Bromacil
Bromacil
ME509582
-
C10911
2.349
-
Bromhexine
-
ME506939
-
-
1.106
-
Bromobutide
-
ME509583
-
C14568
0.851
-
Bromophos-ethyl
-
ME506733
-
C18966
6.0662594
-
Bromophos-ethyl -6.239
-
ME509584
-
C18966
6.239
-
Bruceantin
Bruceantin
ME507922
-
C08749
1.07725
-
Brugine
Brugine
ME509585
-
C10849
1.499
-
Bryophyllin A
-
ME508623
-
C08852
1.2625
-
Bryophyllin A -1.4825001
-
ME508624
-
C08852
1.4825001
-
Bryostatin 1
-
ME507724
-
C05149
1.0366
-
Bryotoxin A
Bryotoxin A
ME509586
-
C08853
1.36
-
Busulfan
Busulfan
ME508625
-
C06862
1.8745
-
Buthiobate
-
ME506940
-
C18930
1.1663126
-
Butopyronoxyl
-
ME507569
-
C19142
1.3928334
-
Butopyronoxyl -1.2939999
-
ME508626
-
C19142
1.2939999
-
Butopyronoxyl -1.455
-
ME509587
-
C19142
1.455
-
BW 246C
-
ME509588
-
-
1.117
-
Byakangelicin
-
ME508627
-
C09141
1.3759999
-
C16-OH Sulfatide
-
ME507744
-
-
0.9912001
-
C24:1-OH Sulfatide
-
ME508751
-
-
0.97
-
C75
-
ME508939
-
-
1.346
-
Caffeoquinone
-
ME508951
-
C16828
1.1784999
-
Caffeoylputrescine
N-Caffeoylputrescine
ME509970
-
C03002
3.379
-
Calomelanol D
Calomelanol D
ME508952
-
-
5.6885
-
Calycanthidine
-
ME508953
-
C09097
1.121
-
Camoensine
Camoensine
ME507792
-
C10758
1.1858
-
Candletoxin A
-
ME508025
-
C09068
1.58075
-
Canthiumine
-
ME507506
-
C10000
1.016
-
Caohuoside D
-
ME506664
-
-
1.1108749
-
Capillarin
-
ME507405
-
C16926
1.101375
-
Capsianoside I
-
ME507632
-
-
1.6911665
-
Captafol
Captafol
ME509971
-
C18754
1.589
-
Carbadox
-
ME509972
-
-
6.067
-
Carbidopa
-
ME508026
-
C07562
3.205
-
Carbidopa -3.8990002
-
ME508954
-
C07562
3.8990002
-
Carboxyibuprofen
Carboxyibuprofen
ME509973
-
-
1.368
-
Carboxyprimaquine
Carboxyprimaquine
ME508955
-
-
1.8685
-
Carboxyprimaquine -1.9376665
Carboxyprimaquine
ME508295
-
-
1.9376665
-
Carboxyprimaquine -2.131
Carboxyprimaquine
ME509974
-
-
2.131
-
Carboxytolbutamide
Carboxytolbutamide
ME507633
-
-
2.3978333
-
Carteolol
Carteolol
ME509975
-
C06874
1.883
-
Carumonam
-
ME507634
-
C13016
1.4278332
-
Caryoptin
Caryoptin
ME508956
-
C09070
2.1799998
-
Catechin 3'-O-gallate
-
ME509976
-
-
0.8
-
Catechin 7-O-alpha-L-rhamnopyranoside
-
ME509977
-
-
5.583
-
CAY10401
-
ME509978
-
-
1.267
-
CAY10408
-
ME507793
-
-
1.5094
-
CAY10464
-
ME509979
-
-
2.34
-
CAY10487
-
ME508296
-
-
3.5856667
-
CAY10510
-
ME509980
-
-
0.912
-
CAY10561
-
ME507252
-
-
1.0892999
-
CAY10593
-
ME509981
-
-
1.826
-
CAY10594
-
ME506665
-
-
0.9445938
-
CAY10594 -1.7255001
-
ME508957
-
-
1.7255001
-
CAY10622
-
ME508958
-
-
2.0655
-
CAY10622 -2.1100001
-
ME508959
-
-
2.1100001
-
CAY10625
-
ME507794
-
-
1.3370001
-
CAY10625 -1.0355
-
ME508960
-
-
1.0355
-
CCT018159
-
ME508297
-
-
2.0563333
-
CCT018159 -0.774
-
ME509982
-
-
0.774
-
Ceanothine B
-
ME507406
-
C10001
1.68725
-
Ceanothine B -1.525
-
ME509983
-
C10001
1.525
-
Ceanothine B -1.8405001
-
ME508961
-
C10001
1.8405001
-
Cefacetrile
Cephacetrile sodium
ME508962
-
C12691
6.238
-
Cefacetrile -1.6444999
Cephacetrile sodium
ME508027
-
C12691
1.6444999
-
Cefotaxime
Cefotaxime
ME507317
-
C06885
1.1113333
-
celecoxib carboxylic
-
ME507795
-
-
1.3185999
-
Cephalothin
Cefalotin
ME508028
-
C07761
1.505
-
Cepharanthine
-
ME509984
-
C09391
2.127
-
Cerasin
-
ME509985
-
-
1.175
-
Cetiedil
-
ME508963
-
C13786
1.379
-
CGH 2466
CGH 2466
ME509986
-
C14128
1.705
-
CGP 28014
-
ME508964
-
C15477
1.1065
-
Chaksine
Chaksine
ME507507
-
C09940
1.3725713
-
Chaksine -1.3955
Chaksine
ME508965
-
C09940
1.3955
-
Chaksine -1.4250001
Chaksine
ME508029
-
C09940
1.4250001
-
Chalcolactone
-
ME509987
-
C18848
1.259
-
Chenodeoxycholic acid 3-sulfate
Chenodeoxycholic acid 3-sulfate
ME506895
-
-
1.0387777
-
Chenodeoxycholic acid 3-sulfate -1.041
Chenodeoxycholic acid 3-sulfate
ME508030
-
-
1.041
-
Chenodeoxycholic acid 3-sulfate -1.1172273
Chenodeoxycholic acid 3-sulfate
ME506816
-
-
1.1172273
-
Chloraminophenamide
Chloraminophenamide
ME508966
-
C07460
1.194
-
Chloramphenicol
Chloramphenicol
ME509988
-
C00918
0.825
-
Chlorate
-
ME509989
-
C01485
5.774
-
Chlorbromuron
Chlorbromuron
ME509990
-
C11009
7.222
-
Chlorfenson
-
ME509991
-
C19024
2.159
-
Chlorfensulphide
-
ME509992
-
C19025
5.769
-
Chlorfenvinphos
-
ME507508
-
C18654
1.5057143
-
Chlorfenvinphos -1.507
-
ME508031
-
C18654
1.507
-
Chlorhexidine
Chlorhexidine
ME508967
-
C06902
4.579
-
Chlorobenside
-
ME506795
-
C14584
2.1926086
-
Chlorobenside -2.2506666
-
ME506986
-
C14584
2.2506666
-
Chlorobenside -2.321
-
ME506849
-
C14584
2.321
-
Chlorobenside -2.3636665
-
ME508298
-
C14584
2.3636665
-
Chlorophyll b
Chlorophyll B
ME508968
-
C05307
1.4749999
-
Chlorotoluron
-
ME508032
-
C18817
1.1274999
-
Chlorotoluron -2.191
-
ME509993
-
C18817
2.191
-
Chlorphenesin
-
ME506877
-
C07928
2.2994208
-
Chlorphenesin -2.7385454
-
ME507181
-
C07928
2.7385454
-
Chlorquinaldol
-
ME507635
-
-
1.1193334
-
cholesterol sulfate
Cholesterol sulfate
ME506666
-
C18043
0.83409363
-
cholesteryl beta-D-glucoside
Cholesteryl beta-D-glucoside
ME508033
-
C03855
1.382
-
Cholic Acid Methyl Ester
-
ME508969
-
-
1.5225
-
Chromotropic acid
Chromotropic acid
ME509994
-
C11323
3.089
-
Chrysin Dimethyl Ether
Chrysin 5,7-dimethyl ether
ME509995
-
C10029
1.255
-
Chryso-obtusin glucoside
-
ME509996
-
C10313
1.34
-
CI Acid Orange 3
-
ME508299
-
C19370
0.7826667
-
CI Acid Orange 3 -0.829
-
ME509997
-
C19370
0.829
-
Cinegalline
-
ME508970
-
C10762
0.93
-
Cinnamodial
-
ME507796
-
C09638
1.0680001
-
Cinnavalininate
Cinnavalininate
ME506987
-
C05640
1.0638667
-
Cinnavalininate -1.067
Cinnavalininate
ME507318
-
C05640
1.067
-
Cinnavalininate -1.0693332
Cinnavalininate
ME508300
-
C05640
1.0693332
-
Cinnavalininate -1.111
Cinnavalininate
ME509998
-
C05640
1.111
-
Cinncassiol C3
-
ME507319
-
C17641
1.7936666
-
Ciprofibrate
-
ME508971
-
-
0.7425
-
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
-
ME507797
-
C14102
0.91400003
-
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
-
ME507253
-
C14092
2.7628
-
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene...
-
ME510001
-
C14092
1.531
-
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene...
-
ME508301
-
C14092
2.7853334
-
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene...
-
ME508034
-
C14092
2.8327498
-
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene...
-
ME507131
-
C14092
2.9145832
-
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene
ME508035
-
C06721
2.872
-
cis-2-Carboxycyclohexyl-acetic acid
cis-2-Carboxycyclohexyl-acetic acid
ME510002
-
C14112
1.709
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME508036
-
C11456
1.59775
-
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-di...
-
ME508972
-
C11456
1.855
-
cis-Chlorobenzene dihydrodiol
-
ME510003
-
C18238
7.223
-
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadieno...
-
ME509999
-
C18318
1.266
-
cis-?-octenoic acid
-
ME510000
-
-
1.278
-
Cisplatin
-
ME510004
-
C06911
1.436
-
cis-Tephrostachin
-
ME510005
-
-
1.158
-
Clavam-2-carboxylate
-
ME510006
-
C17358
6.644
-
Clobetasol propionate
Clobetasol propionate
ME510007
-
-
9.348
-
clocortolone pivalate
-
ME510008
-
-
2.532
-
Clofazimine
Clofazimine
ME510009
-
C06915
2.921
-
Clofoctol
-
ME510010
-
-
1.117
-
Clonidine Metabolite VI
-
ME507798
-
-
0.97459996
-
Clorgyline
Clorgyline
ME508973
-
C11685
3.021
-
Clozapine
Clozapine
ME507799
-
C06924
1.9492
-
Coformycin
Coformycin
ME510011
-
C01677
2.387
-
Colchicine
-
ME508974
-
C07592
1.538
-
Collettiside I
-
ME508037
-
-
2.3604999
-
Collettiside I -2.412
-
ME510012
-
-
2.412
-
(+)-Columbianetin
-
ME508417
-
C19707
2.3865
-
Convicine
Convicine
ME508302
-
C08430
1.5806667
-
Convoline
Convoline
ME510013
-
C10855
2.13
-
Coprine
Coprine
ME510014
-
C08271
6.052
-
Corey PG-Lactone Diol
-
ME507407
-
-
1.257375
-
Coronene
Coronene
ME508975
-
C19375
2.1765
-
Cortancyl
Cortancyl
ME507132
-
C14668
0.95416665
-
Cortancyl -1.0347143
Cortancyl
ME507509
-
C14668
1.0347143
-
Cortisone acetate
Cortisone acetate
ME508976
-
C08173
1.028
-
Creatinol-O-Phosphate
-
ME508977
-
-
1.4254999
-
Crenatine A
-
ME508303
-
C10002
0.846
-
Crenatine A -0.89433336
-
ME508304
-
C10002
0.89433336
-
Crenatine A -1.007
-
ME508305
-
C10002
1.007
-
Crimidine
-
ME508978
-
C19138
6.057
-
Crimidine -1.579
-
ME510015
-
C19138
1.579
-
Crossbyanol A di-acetate
-
ME508979
-
-
5.7745
-
Cucumopine
Cucumopine
ME510016
-
C08475
1.309
-
Cucurbitacin D
-
ME510017
-
C08796
1.206
-
Cucurbitacin F
Cucurbitacin F
ME508980
-
C08798
1.3464999
-
Cucurbitacin F -1.5815
Cucurbitacin F
ME508981
-
C08798
1.5815
-
Cucurbitacin S
Cucurbitacin S
ME510018
-
C08806
2.248
-
Cybutryne
-
ME510019
-
C10927
0.779
-
Cyclacillin
Cyclacillin
ME508982
-
C12766
2.6665
-
cyclandelate
Cyclandelate
ME510020
-
-
1.118
-
Cycleanine
-
ME510021
-
C17387
3.907
-
Cyclic 2,3-bisphospho-D-glycerate
-
ME508306
-
C06189
1.1936667
-
Cyclocreatine
-
ME506724
-
-
2.159643
-
Cyclohexylsulfamate
Cyclamic acid
ME507254
-
C02824
0.8752001
-
Cyclokievitone
Cyclokievitone
ME510022
-
C10207
1.197
-
Cyclopentanone
Cyclopentanone
ME507800
-
C00557
1.483
-
Cyhalothrin
Cyhalothrin
ME508983
-
C10983
1.0145
-
Cymoxanil
-
ME506850
-
C18498
3.10565
-
Cys Cys Cys
Cys-Cys-Cys
ME508984
-
-
0.6745
-
Cys Gly Asn
Cys-Gly-Asn
ME510023
-
-
2.426
-
Cys Lys His
Cys-Lys-His
ME510024
-
-
1.339
-
Cys Ser Ser
Cys-Ser-Ser
ME508038
-
-
2.304
-
Cysteine-S-sulfate
Cysteine-S-sulfate
ME510025
-
C05824
2.383
-
Cys Trp Trp
Cys-Trp-Trp
ME508985
-
-
1.69
-
Cys Tyr
Cys-Tyr
ME508039
-
-
3.39225
-
Cytochalasin E
-
ME507255
-
-
0.9204
-
Cytotrienin A
-
ME508986
-
-
2.9415002
-
D1927
-
ME507182
-
C11717
1.1098181
-
D-Apiitol
Apiitol
ME508040
-
C01569
2.3780003
-
DAPT
-
ME510026
-
-
2.658
-
D-Biotin
Biotin
ME507133
-
C00120
2.3800833
-
DCI
-
ME510027
-
C11772
2.415
-
Deacetoxy(7)-7-Oxokhivorinic Acid
-
ME508307
-
-
0.83599997
-
Debromoaplysiatoxin
-
ME507134
-
C05148
1.4138333
-
Debromoaplysiatoxin -3.5830002
-
ME508987
-
C05148
3.5830002
-
Debromoaplysiatoxin -3.611
-
ME510028
-
C05148
3.611
-
Debromoaplysiatoxin -3.648
-
ME510029
-
C05148
3.648
-
Debromohymenialdisine
-
ME508988
-
C19897
6.451
-
Decanoyl m-Nitroaniline
-
ME510030
-
-
1.439
-
Decarbamoylsaxitoxin
-
ME510031
-
C20021
1.585
-
Decoside
Decoside
ME508989
-
C08860
3.2480001
-
Decoside -3.231
Decoside
ME510032
-
C08860
3.231
-
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME508990
-
C06559
1.0115
-
Dehydroisoandrosterone 3-glucuronide
-
ME508991
-
C03033
1.6025
-
Dehydropachyrrhizone
-
ME508992
-
-
0.742
-
Deidaclin
-
ME507085
-
C08329
2.2546923
-
Deisopropyldeethylatrazine
-
ME510033
-
C06560
1.345
-
Delavirdine
-
ME510034
-
C06941
3.103
-
Delcosine
Delcosine
ME508993
-
C08676
1.2175
-
Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-g...
-
ME510035
-
-
2.783
-
(-)-Deltoin
-
ME509289
-
C17482
1.121
-
Deoxygomisin A
-
ME510036
-
C10555
0.908
-
Deoxythymidine triphosphate (dTTP)
dTTP
ME507408
-
C00459
1.445375
-
Deoxythymidine triphosphate (dTTP) -1.425
dTTP
ME508994
-
C00459
1.425
-
Deschlorobenzoyl Indomethacin glucuronide
-
ME510037
-
-
1.394
-
Desflurane
-
ME510038
-
C07519
2.233
-
deslanoside
-
ME507801
-
-
1.056
-
Desmethyldescarbamoylnovobiocin
-
ME507636
-
C12475
1.0083333
-
Desmethyldescarbamoylnovobiocin -1.462
-
ME510040
-
C12475
1.462
-
Desmethyldeschlorobenzoyl Indomethacin
-
ME506851
-
-
1.5233499
-
Desmethyl fluvoxamine
-
ME507802
-
-
1.5
-
Desmethyl fluvoxamine -2.155143
-
ME507510
-
-
2.155143
-
Desmethyl fluvoxamine -2.951
-
ME508995
-
-
2.951
-
Desmethyl fluvoxamine -3.574
-
ME510039
-
-
3.574
-
Desmethylnaproxen-6-O-sulfate
-
ME507409
-
-
1.5245001
-
Desmethylnaproxen-6-O-sulfate -0.794
-
ME510041
-
-
0.794
-
Deuteroporphyrin IX
-
ME508308
-
-
1.4753333
-
dexbrompheniramine
-
ME507410
-
-
6.0617504
-
Dextrorphan sulfate
-
ME506920
-
-
0.96247053
-
Dextrorphan sulfate -0.91760004
-
ME507803
-
-
0.91760004
-
D-Fructofuranose 1,2':2,3'-dianhydride
-
ME510042
-
C04420
2.609
-
D-Fructofuranose 1,2':2,3'-dianhydride -2.779
-
ME510043
-
C04420
2.779
-
D-Fructofuranose 1,2':2,3'-dianhydride -3.231
-
ME510044
-
C04420
3.231
-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)
DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*
ME508309
-
-
1.1006666
-
DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
DG 17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME506921
-
-
1.0837647
-
DG(17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
DG 17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME507411
-
-
1.08425
-
DG(17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] -3...
DG 17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME508996
-
-
3.1875
-
DG(18:2(9Z,12Z)/15:0/0:0)
DG 18:2(9Z,12Z)/15:0/0:0*
ME510045
-
-
1.09
-
DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)
DG 18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0*
ME508997
-
-
3.209
-
DG(18:3(9Z,12Z,15Z)/15:0/0:0)
DG 18:3(9Z,12Z,15Z)/15:0/0:0*
ME508310
-
-
1.0946666
-
DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
DG 22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0*
ME506667
-
-
1.115875
-
DG(22:4(7Z,10Z,13Z,16Z)/15:0/0:0)
DG 22:4(7Z,10Z,13Z,16Z)/15:0/0:0*
ME507256
-
-
1.0868
-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)
DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0*
ME506668
-
-
1.1097813
-
DGDG(18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
DGDG 18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*
ME510046
-
-
1.051
-
DGDG(18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) -...
DGDG 18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*
ME510047
-
-
1.085
-
Diallyl Trisulfide
-
ME508998
-
-
0.978
-
Diallyl Trisulfide -1.4774001
-
ME507804
-
-
1.4774001
-
Diamidafos
-
ME510048
-
C19035
2.241
-
Dianoside A
-
ME510049
-
C08941
1.008
-
Diazinon
Diazinon
ME510050
-
C14324
2.412
-
Dibutyl succinate
-
ME506922
-
C19143
1.1827648
-
Dibutyl succinate -1.5015
-
ME508999
-
C19143
1.5015
-
Dibutyl succinate -1.5624617
-
ME507086
-
C19143
1.5624617
-
Dicamba
-
ME507511
-
C18597
0.9154286
-
Dichlormid
-
ME507320
-
C18782
4.575222
-
Dichlorophene
-
ME509000
-
C14292
1.6324999
-
Dichlorophene -1.8540001
-
ME509001
-
C14292
1.8540001
-
Diclofop methyl
-
ME510051
-
C11021
0.771
-
Diclofop methyl -0.774
-
ME509002
-
C11021
0.774
-
dicloxacillin
Dicloxacillin
ME507637
-
C06950
1.73
-
Dicyclohexyl phthalate
Dicyclohexyl phthalate
ME509003
-
C14529
1.672
-
Didesmethylimipramine
-
ME510052
-
-
1.561
-
Didymocalyxin B
-
ME510053
-
-
1.225
-
Diethyl Oxalpropionate
4-Heptenal diethyl acetal
ME508311
-
C04067
1.816
-
Diethyl Oxalpropionate -1.583
4-Heptenal diethyl acetal
ME510054
-
C04067
1.583
-
Diethyl Oxalpropionate -2.398
4-Heptenal diethyl acetal
ME508312
-
C04067
2.398
-
Diethyl Oxalpropionate -2.7005
4-Heptenal diethyl acetal
ME509004
-
C04067
2.7005
-
Diethylpropion(metabolite VIII-glucuronide)
-
ME510055
-
-
2.133
-
Diethylstilbestrol
Diethylstilbestrol
ME509005
-
C07620
1.5840001
-
Difenoxuron
-
ME507412
-
C19076
1.236625
-
Diflufenican
Diflufenican
ME510056
-
C18549
0.945
-
Diflufenican -0.98749995
Diflufenican
ME509006
-
C18549
0.98749995
-
Diflunisal phenolic glucuronide
-
ME510057
-
-
0.986
-
Dihydroartemisinin
Dihydroartemisinin
ME509007
-
-
1.619
-
Dihydroartemisinin -1.3089999
Dihydroartemisinin
ME508313
-
-
1.3089999
-
Dihydroartemisinin -2.682
Dihydroartemisinin
ME510058
-
-
2.682
-
Dihydrocelastrol
-
ME507805
-
-
1.676
-
Dihydrocelastryl Diacetate
-
ME507638
-
-
0.86583346
-
Dihydrocodeine-6-glucuronide
-
ME509008
-
-
1.4925001
-
Dihydrogedunin
-
ME508041
-
-
1.18225
-
Dihydroisolysergic acid II
-
ME507413
-
-
1.4848751
-
Dihydroisolysergic acid II -1.494
-
ME509009
-
-
1.494
-
Dihydroisolysergic acid II -1.996
-
ME510059
-
-
1.996
-
Dihydrojasmonic Acid, Methyl Ester
-
ME507806
-
-
1.3524001
-
Dihydrojasmonic Acid, Methyl Ester -1.28
-
ME510060
-
-
1.28
-
Dihydrojasmonic Acid, Methyl Ester -1.441
-
ME510061
-
-
1.441
-
Dihydrojasmonic Acid, Methyl Ester -1.7295
-
ME509010
-
-
1.7295
-
Dihydromacarpine
-
ME507639
-
C05316
0.8985
-
Dihydropteroic acid
-
ME510062
-
C00921
6.057
-
Dihydroxycarteolol M2
-
ME507031
-
-
2.1001427
-
Dihydroxycarteolol M2 -2.7732854
-
ME507512
-
-
2.7732854
-
Dihydroxycarteolol M2 -2.7884998
-
ME509011
-
-
2.7884998
-
Dihydroxycarteolol M2 -2.9599998
-
ME507257
-
-
2.9599998
-
Dihydroxycarteolol M2 -3.3618
-
ME507258
-
-
3.3618
-
Dihydroxycarteolol M2 -3.5038238
-
ME506923
-
-
3.5038238
-
Dikegulac
-
ME510063
-
C18825
2.091
-
Dimethoxane
-
ME506852
-
C19402
1.3184
-
Dimethoxane -1.382
-
ME507807
-
C19402
1.382
-
Dimethyldisulfide
Dimethyldisulfide
ME509013
-
C08371
2.2154999
-
Dimethylenetriurea
Dimethylenetriurea
ME510065
-
C06385
2.104
-
Dimethyl suberate
-
ME506817
-
C17803
1.2291363
-
Dimethyl sulfate
-
ME507414
-
C19177
2.007
-
Dimethyl sulfate -1.1625
-
ME509012
-
C19177
1.1625
-
Dimethyl sulfate -2.08
-
ME510064
-
C19177
2.08
-
Dimethyl sulfone
Dimethyl sulfone
ME506958
-
C11142
3.0900624
-
Dinoflagellate luciferin
-
ME507183
-
C19704
2.2353637
-
Dinoflagellate luciferin -1.104
-
ME508314
-
C19704
1.104
-
Dinoflagellate luciferin -2.40025
-
ME507415
-
C19704
2.40025
-
Dinoflagellate luciferin -2.4478002
-
ME507808
-
C19704
2.4478002
-
Dinoterb
-
ME506725
-
C18671
0.9644643
-
Dinoterb -2.1529999
-
ME509014
-
C18671
2.1529999
-
Di-n-pentyl phthalate
Dipentyl phthalate
ME508042
-
C14300
1.113
-
Dioxacarb
-
ME508315
-
C18953
2.0743334
-
Dioxacarb -1.326
-
ME509015
-
C18953
1.326
-
Diphenylcarbazide
-
ME506988
-
C11232
1.5335332
-
Diterpenoid EF-D
-
ME507809
-
C09086
1.4835999
-
Diterpenoid EF-D -1.398
-
ME510066
-
C09086
1.398
-
Divostroside
-
ME509016
-
C08864
1.411
-
DL-8-hydroxy stearic acid
-
ME506694
-
-
1.111387
-
DL-Glycerol 1-phosphate
-
ME508316
-
C03189
2.1713333
-
D-Lombricine
D-Lombricine
ME510067
-
C01726
2.102
-
D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-d...
-
ME506989
-
C19855
2.3136666
-
D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-d...
-
ME507416
-
C19855
2.213
-
D-myo-Inositol-1,4,5,6-tetraphosphate
-
ME510068
-
C11555
1.434
-
Docosanediol-1,14-disulfate
-
ME510069
-
-
1.48
-
Doisynoestrol
-
ME506695
-
C15453
1.0028065
-
Doisynoestrol -1.1116666
-
ME507321
-
C15453
1.1116666
-
Doisynoestrol -2.0982997
-
ME506709
-
C15453
2.0982997
-
Doisynoestrol -2.398
-
ME510070
-
C15453
2.398
-
Doisynoestrol -2.4055
-
ME506726
-
C15453
2.4055
-
Dolichol-20
Dolichol-20
ME510071
-
-
2.31
-
Dothistromin
Dothistromin
ME510072
-
C10334
0.82
-
D-Phenyllactic acid
L-3-Phenyllactic acid
ME507184
-
-
1.1913638
-
DPPP
-
ME510073
-
-
0.979
-
dTDP-D-oliose
-
ME510074
-
C12446
1.101
-
D-Threitol
Threitol
ME507259
-
C16884
1.1931
-
D-Urobilinogen
D-Urobilinogen
ME506959
-
C05791
5.994687
-
D-Urobilinogen -2.1362858
D-Urobilinogen
ME507513
-
C05791
2.1362858
-
Dyphylline
Dyphylline
ME509017
-
C07819
3.2565
-
Dyphylline -3.3130002
Dyphylline
ME509018
-
C07819
3.3130002
-
(E)-2-Butenyl-4-methyl-threonine
2-Butenyl-4-methylthreonine
ME506967
-
C12029
1.5299332
-
(E)-2-(Methoxycarbonylmethyl)butenedioate
-
ME507148
-
C11515
1.1932727
-
(E)-2-(Methoxycarbonylmethyl)butenedioate -2.877
-
ME509303
-
C11515
2.877
-
E3040 glucuronide
-
ME510075
-
C11595
1.113
-
E-64c
-
ME509019
-
-
1.129
-
ecdysone palmitate
Ecdysone palmitate
ME509020
-
C02681
1.0764999
-
Echitovenine
-
ME508043
-
C11784
1.39125
-
Elatin(flavonoid)
-
ME510076
-
-
1.055
-
Elatin(flavonoid) -1.09075
-
ME508044
-
-
1.09075
-
Embigenin 2''-(2'''-acetylrhamnoside)
-
ME509021
-
-
1.8375001
-
Enalkiren
Enalkiren
ME509022
-
C07466
1.6745
-
Endothal
-
ME506990
-
C18724
0.8892667
-
Endothal -1.089
-
ME508317
-
C18724
1.089
-
Endothal -1.568
-
ME510077
-
C18724
1.568
-
Endothal -2.9179997
-
ME508045
-
C18724
2.9179997
-
Endothal -3.2610002
-
ME507810
-
C18724
3.2610002
-
Enicoflavine
Enicoflavine
ME509023
-
C09946
1.3245001
-
ent-6beta-Hydroxybuphanisine
-
ME508046
-
C12191
1.25525
-
ent-8-epi-15-D2c-IsoP
-
ME508047
-
-
0.81825
-
ent-8-epi-15-D2c-IsoP -1.052
-
ME510078
-
-
1.052
-
Ent-afzelechin-7-O-beta-D-glucopyranoside
-
ME509024
-
-
5.6184998
-
Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyra...
-
ME510079
-
-
1.118
-
Epicatechin 5,7,3'-trimethyl ether
-
ME506991
-
-
1.3994668
-
Epicatechin 5,7,3'-trimethyl ether -1.369
-
ME510080
-
-
1.369
-
Epicatechin 5,7,3'-trimethyl ether -2.3925717
-
ME507032
-
-
2.3925717
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME508048
-
-
2.78075
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate ...
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME510081
-
-
2.798
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate ...
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME507811
-
-
2.8212
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate ...
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME509025
-
-
2.9115
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate ...
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME509026
-
-
2.9169998
-
Epigallocatechin
Epigallocatechin
ME507033
-
-
1.1076428
-
Epimedoside
-
ME509027
-
-
5.9484997
-
Epimedoside A
-
ME509028
-
-
1.9
-
Epimedoside A -3.2555
-
ME509029
-
-
3.2555
-
epi-Tulipinolide diepoxide
-
ME510082
-
C09568
2.498
-
epothilone D
Epothilone D
ME507417
-
C12039
0.83475
-
Epoxybergamottin
-
ME510083
-
-
1.656
-
Equilin sulfate
-
ME507640
-
C13416
5.688667
-
Ergoline-8-methanol, 10-methoxy-, (8b)-
-
ME510084
-
-
2.165
-
Erioflorin methacrylate
-
ME508049
-
C09413
1.31425
-
Erosone
-
ME507641
-
-
1.466
-
Erosone -1.304
-
ME510085
-
-
1.304
-
Erosone -1.542125
-
ME507418
-
-
1.542125
-
Erosone -1.611
-
ME510086
-
-
1.611
-
Erosone -6.057
-
ME510087
-
-
6.057
-
Eruberin A
-
ME510088
-
-
1.021
-
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triace...
-
ME506924
-
C15440
1.0737059
-
Ethacrynic acid M1
Ethacrynic acid
ME509030
-
-
0.77
-
Ethadione
-
ME510089
-
C17724
5.685
-
Ethionamide
-
ME509031
-
C07665
1.191
-
Ethionine
L-Ethionine
ME508050
-
C11227
2.0435
-
Ethionine -2.1085
L-Ethionine
ME508051
-
C11227
2.1085
-
Ethofumesate
-
ME509032
-
C18829
0.8655
-
Ethopropazine
Ethopropazine
ME510090
-
D03276
1.187
-
Ethoxysulfuron
-
ME510091
-
C18440
1.428
-
Ethyl methanesulfonate
-
ME510092
-
C19239
1.008
-
Ethyl Oxalacetate
-
ME509033
-
-
1.7375
-
Ethyl syringate
-
ME509034
-
-
1.5055
-
Euchrenone b3
-
ME509035
-
-
3.092
-
(+)-Eudesmin
-
ME506823
-
C10561
0.95433325
-
(+)-Eudesmin -0.9653334
-
ME507276
-
C10561
0.9653334
-
(+)-Eudesmin -0.993
-
ME509291
-
C10561
0.993
-
(+)-Eudesmin -1.0606667
-
ME508112
-
C10561
1.0606667
-
(+)-Eudesmin -1.0937369
-
ME506856
-
C10561
1.0937369
-
Eupatundin
-
ME510093
-
C09448
2.992
-
Euphornin
-
ME509036
-
C19991
1.2665
-
Euphornin -1.4065
-
ME509037
-
C19991
1.4065
-
Euxanthone
Euxanthone
ME507812
-
C10061
1.122
-
EX-527
-
ME510094
-
-
2.763
-
F4-Neuroprostane (7-series)
-
ME509038
-
C13819
1.247
-
Fampridine
4-Aminopyridine
ME507514
-
C13728
2.6942859
-
Faropenem
Faropenem
ME509039
-
C13310
2.4015
-
Faropenem -2.43
Faropenem
ME510095
-
C13310
2.43
-
Felbamate monocarboxylate
-
ME509040
-
C16591
1.823
-
Ferimzone
Ferimzone
ME509041
-
C18579
2.3865
-
Fetidine
Fetidine
ME510096
-
C09441
2.425
-
Filicin
-
ME509042
-
C10693
3.0955
-
Finaconitine
-
ME510097
-
C08684
1.47
-
FK463
-
ME509043
-
C15819
5.691
-
Flaviolin
Flaviolin
ME510098
-
C18012
2.017
-
Flemichapparin
-
ME510099
-
-
2.412
-
Fluacrypyrim
-
ME510100
-
C18595
6.053
-
Fludrocortisone acetate
Fludrocortisone acetate
ME507515
-
C08186
0.9365714
-
flumethasone pivalate
-
ME510101
-
-
1.578
-
flumethasone pivalate -2.0745
-
ME509044
-
-
2.0745
-
Flunarizine
Flunarizine
ME508052
-
-
1.4835
-
Fluorofelbamate
-
ME509045
-
C15341
2.8404999
-
Fluotrimazole
-
ME508053
-
C18939
1.3185
-
Fluphenazine (further oxidation of piperazine ring...
-
ME509046
-
-
2.9295
-
Fluphenazine (further oxidation of piperazine ring...
-
ME510102
-
-
2.958
-
Flupropanate
-
ME510103
-
C18854
0.664
-
Flurogestone acetate
-
ME507642
-
C15432
0.91
-
Fluticasone 17-carboxylic acid
-
ME509047
-
-
3.899
-
Flutolanil
-
ME509048
-
C18502
2.8600001
-
Flutrimazole
-
ME510104
-
-
6.053
-
Fluvoxamine
Fluvoxamine
ME506696
-
C07571
2.0098388
-
Fluvoxamine -2.0961537
Fluvoxamine
ME506750
-
C07571
2.0961537
-
Fluvoxamine acid
Fluvoxamino acid
ME510105
-
-
1.124
-
Formestane-4-O-glucuronide
-
ME506960
-
-
1.9855626
-
Formimino-L-glutamic acid
Formiminoglutamic acid
ME508318
-
C00439
1.7736667
-
Formimino-L-glutamic acid -1.8066667
Formiminoglutamic acid
ME508319
-
C00439
1.8066667
-
Formimino-L-glutamic acid -2.1475
Formiminoglutamic acid
ME509049
-
C00439
2.1475
-
Formimino-L-glutamic acid -2.313
Formiminoglutamic acid
ME509050
-
C00439
2.313
-
Fosinoprilat
-
ME507813
-
-
1.0716001
-
Furafylline
Furafylline
ME507322
-
-
6.056333
-
Furafylline -6.058
Furafylline
ME509051
-
-
6.058
-
Furamizole
-
ME509052
-
C14304
2.2684999
-
Furamizole -2.31
-
ME510106
-
C14304
2.31
-
Furfural diethyl acetal
-
ME509053
-
C14280
1.522
-
Furfural diethyl acetal -1.7055
-
ME509054
-
C14280
1.7055
-
Furfural diethyl acetal -2.4085002
-
ME509055
-
C14280
2.4085002
-
Furfural diethyl acetal -2.93
-
ME510107
-
C14280
2.93
-
Furmecyclox
Furmecyclox
ME510108
-
C18912
0.997
-
Furocaespitane
-
ME509056
-
C17113
0.9095
-
Furosemide
Furosemide
ME510109
-
D00331
3.166
-
Fusarenone X
-
ME510110
-
C19583
2.116
-
Fusicoccin H
-
ME509057
-
C09093
2.3055
-
Fusicoccin H -2.337
-
ME510111
-
C09093
2.337
-
(-)-Fusicoplagin A
-
ME508111
-
-
1.3863333
-
(-)-Fusicoplagin A -1.483
-
ME509290
-
-
1.483
-
Futalosine
Futalosine
ME509058
-
C16999
1.537
-
G��83
-
ME507819
-
-
0.8868
-
Gabaculine
-
ME507814
-
C12110
1.3046
-
Gal?1-3GlcNAc?-Sp
-
ME510112
-
-
1.704
-
Galactinol dihydrate
Galactinol
ME510113
-
-
5.678
-
Galactinol dihydrate -5.777
Galactinol
ME509059
-
-
5.777
-
Galactitol 1-phosphate
-
ME509060
-
C06311
2.148
-
Gallic acid
Gallic acid
ME510114
-
C01424
2.318
-
Ganglioside GD3 (d18:1/12:0)
-
ME510115
-
C06133
5.709
-
Ganglioside GM2 (d18:1/14:0)
-
ME508320
-
-
2.2703335
-
Gardenoside
-
ME507034
-
C09779
0.9844286
-
Gardoside
-
ME510116
-
C16963
6.055
-
Gemfibrozil, metabolite II
-
ME507643
-
-
1.0911667
-
geodisterol-O-sulfite
-
ME509061
-
-
1.048
-
gibberellin A2 O-beta-D-glucoside
-
ME508321
-
-
1.1186666
-
Gibberellin A8
Gibberellin A8
ME510117
-
C03579
2.667
-
Gingerdione
-
ME507815
-
C10459
1.1242001
-
Ginkgolide C
-
ME509062
-
C07603
0.967
-
Glabrescione B
-
ME510118
-
-
1.265
-
Glaucarubin
Glaucarubin
ME510119
-
C08760
1.073
-
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)...
-
ME508322
-
-
5.715
-
Gliotoxin
Gliotoxin
ME507816
-
C10595
3.0108
-
Gln Gln Trp
Gln-Gln-Trp
ME508323
-
-
1.3906666
-
Gln Glu Ile
Gln-Glu-Ile
ME507644
-
-
1.2344999
-
Gln Glu Ile -5.707
Gln-Glu-Ile
ME507817
-
-
5.707
-
Gln Glu Phe
Gln-Glu-Phe
ME510120
-
-
2.37
-
Gln Phe Leu
Gln-Phe-Leu
ME507645
-
-
1.7915001
-
Gln Phe Leu -1.6831665
Gln-Phe-Leu
ME507646
-
-
1.6831665
-
Gln Pro Trp
Gln-Pro-Trp
ME508324
-
-
1.3313333
-
Gln Thr Glu
Gln-Thr-Glu
ME509063
-
-
1.1675
-
Gln Thr Ile
Gln-Thr-Ile
ME510121
-
-
1.38
-
Gln Trp Lys
Gln-Trp-Lys
ME509064
-
-
2.321
-
Glu Arg Glu
Glu-Arg-Glu
ME507035
-
-
1.338
-
Glu Asp Trp
Glu-Asp-Trp
ME507419
-
-
1.0466251
-
Glucoarabin
-
ME508325
-
C17272
1.311
-
Glucocheirolin
-
ME509069
-
C08405
2.1205
-
Glucocheirolin -2.117
-
ME510124
-
C08405
2.117
-
Glucoconringiin
-
ME510125
-
C08408
2.677
-
Glucoheptonic acid
Glucoheptonic acid
ME508326
-
-
2.8263333
-
Glucohirsutin
-
ME509070
-
C17271
1.34
-
Gluconapoleiferin
-
ME510126
-
C08416
2.939
-
Gluconapoleiferin -3.586
-
ME510127
-
C08416
3.586
-
Gluconolactone
Gluconolactone
ME510128
-
C00198
2.324
-
Glucosisymbrin
-
ME508054
-
C17275
6.24175
-
?-Glu-Cys
Glu-Cys
ME507688
-
C00669
6.0564
-
Glu Gln
Glu-Gln
ME510122
-
-
7.459
-
Glu Gln Gln
Glu-Gln-Gln
ME510123
-
-
1.072
-
Glu Gln Ile
Glu-Gln-Ile
ME509065
-
-
5.711
-
Glu Glu Arg
Glu-Glu-Arg
ME509066
-
-
1.266
-
Glu Leu Trp
Glu-Leu-Trp
ME509067
-
-
1.1800001
-
Glu-P-2
-
ME510129
-
C19245
1.954
-
Glu-P-2 -2.215
-
ME508327
-
C19245
2.215
-
Glu Trp Trp
Glu-Trp-Trp
ME509068
-
-
1.1745
-
Glyburide
Glyburide
ME508328
-
C07022
1.474
-
Glycyl-L-leucine
Gly-Leu
ME510132
-
C02155
6.653
-
Glycyl-L-leucine -6.7135
Gly-Leu
ME509071
-
C02155
6.7135
-
Gly Gln Glu
Gly-Gln-Glu
ME510130
-
-
2.12
-
Gly Leu Leu
Gly-Leu-Leu
ME510131
-
-
6.296
-
Gly-Ser-OH
-
ME507517
-
-
1.6022856
-
Gly Tyr Asn
Gly-Tyr-Asn
ME507516
-
-
2.0845714
-
Gnididin
Gnididin
ME508055
-
C09096
2.7827501
-
Gnididin -2.9125001
Gnididin
ME508056
-
C09096
2.9125001
-
Goitrin
-
ME509072
-
C16817
2.2055001
-
(Ñ©-Goniothalesdiol
-
ME507344
-
-
1.6430001
-
(Ñ©-Goniothalesdiol -1.344
-
ME508425
-
-
1.344
-
(Ñ©-Goniothalesdiol -1.575
-
ME509310
-
-
1.575
-
GPInsP2[4',5'](17:0/20:4(5Z,8Z,11Z,14Z))
-
ME510133
-
-
1.461
-
Gracillin
-
ME510134
-
C08901
1.128
-
Granisetron metabolite 3
-
ME508329
-
-
2.4193332
-
Granisetron metabolite 4
-
ME510135
-
-
2.391
-
Granisetron metabolite 4 glucuronide
-
ME508057
-
-
1.24025
-
Grayanotoxin I
Grayanotoxin I
ME507818
-
C09103
1.4304
-
Grayanotoxin I -1.328
Grayanotoxin I
ME510136
-
C09103
1.328
-
Grepafloxacin glucuronide
Grepafloxacin glucuronide
ME508330
-
C11597
1.026
-
Grepafloxacin glucuronide -3.035
Grepafloxacin glucuronide
ME509073
-
C11597
3.035
-
Guanosine diphosphate adenosine
-
ME510137
-
-
1.054
-
GW 842166X
-
ME507135
-
-
1.08625
-
GYKI 52895
-
ME509074
-
C15094
1.1099999
-
H 182/26
-
ME507260
-
-
1.9706001
-
Haginin A
-
ME507136
-
-
1.0965834
-
Haginin A -1.201
-
ME510138
-
-
1.201
-
halazone
-
ME510139
-
-
6.722
-
Hallactone A
-
ME508331
-
C09104
1.6126666
-
Hallactone A -1.263
-
ME510140
-
C09104
1.263
-
Harderoporphyrinogen
-
ME507647
-
-
1.4175
-
Harderoporphyrinogen -1.4571667
-
ME507648
-
-
1.4571667
-
HC Yellow No. 4
-
ME506770
-
C19431
1.5755599
-
HC Yellow No. 4 -1.11225
-
ME508058
-
C19431
1.11225
-
Hematoporphyrin
Hematoporphyrin
ME510141
-
-
1.099
-
Hemibrevetoxin B
-
ME510142
-
C20016
1.406
-
Heteroflavanone A
-
ME507820
-
-
1.3958
-
Heudelottin C
-
ME509075
-
-
1.0445
-
Hexacosanedioic acid
Hexacosanedioic acid
ME509076
-
-
1.267
-
?-Hexalactone
-
ME509312
-
-
1.38
-
Hexanoylglycine
Hexanoylglycine
ME510143
-
-
2.49
-
Hildgardtene
-
ME507261
-
-
2.2116
-
Hippeastrine
-
ME508332
-
C08528
1.099
-
Hippuric acid
Hippuric acid
ME510144
-
C01586
2.37
-
Hippurin-1
-
ME509077
-
-
1.3355
-
Hippurin-1 -1.72
-
ME510145
-
-
1.72
-
His Arg Arg
His-Arg-Arg
ME509078
-
-
3.639
-
His Cys Gln
His-Cys-Gln
ME507649
-
-
0.8076667
-
His Glu Asp
His-Glu-Asp
ME507821
-
-
6.058
-
His-HoPhe-OH
-
ME510148
-
-
2.084
-
His Lys His
His-Lys-His
ME508333
-
-
1.3316666
-
His Lys Met
His-Lys-Met
ME508059
-
-
1.001
-
His Met Phe
His-Met-Phe
ME506818
-
-
7.341409
-
His Pro
His-Pro
ME510146
-
-
6.214
-
His Trp Thr
His-Trp-Thr
ME510147
-
-
2.94
-
HMB-Val-Ser-Leu-VE
-
ME510149
-
-
1.526
-
Homaline
Homaline
ME509079
-
C10599
1.3615
-
Homaline -5.9490004
Homaline
ME509080
-
C10599
5.9490004
-
Homatropine
Homatropine
ME507822
-
C07814
1.2656
-
Homatropine -1.339
Homatropine
ME509081
-
C07814
1.339
-
Homobaldrinal
-
ME506925
-
C16812
1.182
-
Homocysteine-penicillamine disulfide
-
ME510150
-
-
2.114
-
Homocysteinesulfinic acid
Homocysteinesulfinic acid
ME507420
-
-
3.2068748
-
Homocystine
Homocystine
ME508060
-
C01817
1.4712499
-
Huperzine B
-
ME507823
-
C09866
1.4932001
-
Hyaluronic acid
Hyaluronic acid
ME509082
-
C00518
5.4225
-
Hydrocortisone butyrate propionate
Hydrocortisone butyrate propanoate
ME506786
-
C13358
1.3387083
-
Hydrocortisone butyrate propionate -1.259
Hydrocortisone butyrate propanoate
ME509083
-
C13358
1.259
-
Hydroxyibuprofen
Hydroxyibuprofen
ME507421
-
-
1.2298751
-
Hydroxyibuprofen -1.5834999
Hydroxyibuprofen
ME509084
-
-
1.5834999
-
Hydroxytinidazole glucuronide
-
ME507087
-
-
1.1123077
-
Hydroxytinidazole glucuronide -1.003
-
ME510151
-
-
1.003
-
Hydroxytinidazole glucuronide -2.764
-
ME510152
-
-
2.764
-
Hydroxyvernolide
-
ME510153
-
C09477
1.366
-
Hypercalin B
-
ME509085
-
C09941
1.247
-
Hypotaurocyamine
Hypotaurocyamine
ME509086
-
C02419
1.2114999
-
Hypoxanthine
Hypoxanthine
ME508334
-
C00262
3.0043333
-
(Ñ©-Ibuprofen
Ibuprofen
ME507345
-
C01588
1.167625
-
Idebenone Metabolite (Benzenedecanoic acid, 2-hydr...
-
ME507650
-
-
1.4141668
-
Idebenone Metabolite (?-D-Glucopyranosiduronic aci...
-
ME510154
-
-
1.074
-
Idebenone Metabolite (QS-10)
-
ME507651
-
-
1.7088332
-
Iduronic acid
Iduronic acid
ME510155
-
C16245
6.064
-
Ile-HoPhe-OH
-
ME509088
-
-
2.426
-
Ile-lle-OH
-
ME509089
-
-
2.217
-
Ile Pro Gln
Ile-Pro-Gln
ME508061
-
-
0.9405
-
Ile Trp Met
Ile-Trp-Met
ME510156
-
-
1.974
-
Ile Val Trp
Ile-Val-Trp
ME509087
-
-
6.5985003
-
(-)-Illudin M
-
ME508414
-
C09687
1.2605
-
Imidazoleacetic acid
Imidazoleacetic acid
ME506787
-
C02835
2.1584582
-
Imidazolone
Imidazolone
ME510157
-
C06195
5.713
-
Inabenfide
Inabenfide
ME508062
-
C10942
0.93925
-
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME506796
-
C08493
1.1447827
-
Indole-3-carboxaldehyde -1.6016666
1H-Indole-3-carboxaldehyde
ME508335
-
C08493
1.6016666
-
Indole-3-carboxaldehyde -2.083
1H-Indole-3-carboxaldehyde
ME510158
-
C08493
2.083
-
Indole-3-carboxaldehyde -4.4820004
1H-Indole-3-carboxaldehyde
ME509090
-
C08493
4.4820004
-
Ingenol 3,20-dibenzoate
Ingenol 3,20-dibenzoate
ME507323
-
C09113
1.6935555
-
Ingenol 3,20-dibenzoate -3.257
Ingenol 3,20-dibenzoate
ME509091
-
C09113
3.257
-
Inosine
Inosine
ME507262
-
C00294
3.1448998
-
Inosine -2.816
Inosine
ME510159
-
C00294
2.816
-
Inosine -3.05
Inosine
ME510160
-
C00294
3.05
-
Inosine-5'-carboxylate
-
ME510161
-
C03280
2.156
-
Inulicin
-
ME510162
-
C09483
1.476
-
Inuline
-
ME508336
-
C08659
2.121
-
Inumakilactone A glycoside
Inumakilactone A glycoside
ME507324
-
C09114
1.0544444
-
Inumakilactone A glycoside -1.053
Inumakilactone A glycoside
ME508063
-
C09114
1.053
-
Inumakilactone A glycoside -1.1206429
Inumakilactone A glycoside
ME507036
-
C09114
1.1206429
-
Inumakilactone A glycoside -1.138
Inumakilactone A glycoside
ME510163
-
C09114
1.138
-
Inumakilactone A glycoside -1.144
Inumakilactone A glycoside
ME510164
-
C09114
1.144
-
Ipecoside
-
ME510165
-
C09464
1.507
-
iPF2?-IV
-
ME507263
-
-
1.286
-
Iprobenfos
Iprobenfos
ME509092
-
C15230
4.445
-
Iprodione
Iprodione
ME510166
-
C11208
1.271
-
Iprovalicarb
-
ME510167
-
C18866
1.341
-
Irinotecan
-
ME510168
-
C16641
2.426
-
Isatin
-
ME508337
-
C11129
2.0939999
-
Isocaespitol
-
ME508338
-
C17112
1.4256667
-
Isocaespitol -1.426
-
ME510169
-
C17112
1.426
-
Isochorismate
-
ME510170
-
C00885
1.107
-
Isodalbergin
-
ME509093
-
-
1.1600001
-
Isodalbergin -1.199
-
ME509094
-
-
1.199
-
Isoferulic acid
Isoferulic acid
ME508064
-
C10470
1.24325
-
Isoglabrachromene
-
ME510171
-
-
6.054
-
Isoglycyrol
-
ME510172
-
-
2.456
-
Isoguanosine
Crotonoside
ME506878
-
C08432
3.8672104
-
Isoguanosine -2.4029999
Crotonoside
ME509095
-
C08432
2.4029999
-
Isopropenylacetic acid
Isopropenylacetic acid
ME510173
-
-
1.225
-
Isoprothiolane
Isoprothiolane
ME510174
-
C11111
3.048
-
Isorhamnetin 3-gentiotrioside
-
ME509096
-
-
7.172
-
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-p...
-
ME510175
-
-
2.068
-
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-p...
-
ME510176
-
-
2.008
-
Isradipine Metabolite (3,5-Pyridinedicarboxylic ac...
-
ME508065
-
-
1.17925
-
I-Urobilin
-
ME507518
-
C05794
2.2288573
-
Jamaicamide C
-
ME507824
-
C18214
1.9736
-
JP104
-
ME509097
-
-
1.5285001
-
JWH 018 6-methoxyindole analog
-
ME509098
-
-
1.378
-
JWH 200
-
ME510177
-
-
1.109
-
Kaempferol 3-(2''-(E)-p-coumaroyl-6''-acetylglucos...
-
ME509099
-
-
1.3180001
-
Kalbreclasine
-
ME509100
-
C08529
1.4684999
-
Kalbreclasine -1.498
-
ME510178
-
C08529
1.498
-
Kanokoside C
-
ME509101
-
C17430
1.1025
-
Kanokoside C -1.0735
-
ME509102
-
C17430
1.0735
-
(-)-Kanshone A
-
ME507444
-
-
1.1518571
-
KAPA
Acetoacetic acid
ME510179
-
C01092
2.211
-
Karanjachromene
-
ME510180
-
-
2.392
-
Karwinskione
Karwinskione
ME506961
-
C09944
1.9976876
-
Khellin
Khellin
ME509103
-
C09010
1.48
-
Kni 102
-
ME507652
-
C15654
1.4143332
-
Kni 102 -1.4572856
-
ME507519
-
C15654
1.4572856
-
Kreysigine
-
ME510181
-
C16714
0.761
-
Kurilensoside J
-
ME509104
-
-
1.9005
-
Kurilensoside J -1.8994999
-
ME509105
-
-
1.8994999
-
Kurilensoside J -2.531
-
ME510182
-
-
2.531
-
Kurilensoside J -3.255
-
ME509106
-
-
3.255
-
Kurilensoside J -3.256
-
ME509107
-
-
3.256
-
L-365260
-
ME507185
-
C15026
0.888909
-
L-365260 -0.98875004
-
ME508066
-
C15026
0.98875004
-
L-365260 -1.024
-
ME510183
-
C15026
1.024
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME510184
-
-
1.336
-
Lactone of PGF-MUM
-
ME509108
-
-
1.382
-
L-Alanine, N-propyl-
-
ME510185
-
-
5.972
-
L-alpha-Aspartyl-L-hydroxyproline
-
ME507137
-
-
1.8319167
-
L-alpha-glutamyl-L-hydroxyproline
-
ME507088
-
-
1.1822308
-
L-alpha-glutamyl-L-hydroxyproline -6.05
-
ME510186
-
-
6.05
-
lambda Isostearic acid
-
ME506751
-
-
1.0751538
-
lambda Isostearic acid -1.111125
-
ME507422
-
-
1.111125
-
Lamioside
Lamioside
ME508339
-
C11645
0.9086667
-
Lamioside -0.912
Lamioside
ME510187
-
C11645
0.912
-
Lanceotoxin A
Lanceotoxin A
ME509109
-
C08872
2.1505
-
Lanceotoxin A -1.71
Lanceotoxin A
ME510188
-
C08872
1.71
-
Lanceotoxin B
-
ME509110
-
C08873
1.425
-
Lanceotoxin B -2.429
-
ME509111
-
C08873
2.429
-
Lanceotoxin B -2.6065001
-
ME509112
-
C08873
2.6065001
-
Lanceotoxin B -2.924
-
ME510189
-
C08873
2.924
-
Landomycin D
-
ME509113
-
C18684
1.8985
-
Lankacidin C
-
ME510190
-
C15758
2.526
-
Lathyrine
Lathyrine
ME509114
-
C08290
3.3385
-
Lathyrine -5.696
Lathyrine
ME509115
-
C08290
5.696
-
Laurencione diacetate
-
ME507520
-
-
2.2668571
-
Laurencione diacetate -1.407
-
ME510191
-
-
1.407
-
Lauryl hydrogen sulfate
Dopamine
ME506669
-
C11166
0.83265626
-
Lauryl hydrogen sulfate -1.11
Dopamine
ME510192
-
C11166
1.11
-
Lauryl hydrogen sulfate -2.102
Dopamine
ME510193
-
C11166
2.102
-
Lauryl hydrogen sulfate -2.4088
Dopamine
ME507264
-
C11166
2.4088
-
L-beta-aspartyl-L-alanine
beta-Aspartylalanine
ME507265
-
-
2.1642
-
L-beta-aspartyl-L-alanine -2.2725
beta-Aspartylalanine
ME507266
-
-
2.2725
-
L-beta-aspartyl-L-alanine -2.31
beta-Aspartylalanine
ME510194
-
-
2.31
-
LDS-751
-
ME507653
-
C11601
2.1375
-
Leu Ala
Leu-Ala
ME509116
-
-
6.479
-
Leucyl-leucine
Leu-Leu
ME508340
-
C11332
5.6866665
-
Leucyl-leucine -5.76
Leu-Leu
ME510195
-
C11332
5.76
-
Leukotriene E4 methyl ester
-
ME509117
-
-
1.3355
-
Leukotriene F4
LTF4
ME508341
-
C06462
1.448
-
Leukotriene F4 -1.583
LTF4
ME510196
-
C06462
1.583
-
Leupeptin
Leupeptin
ME507325
-
C01591
1.1904445
-
Leupeptin -1.479
Leupeptin
ME507825
-
C01591
1.479
-
Leu-Phe-OH
-
ME510197
-
-
2.443
-
Leu Tyr Trp
Leu-Tyr-Trp
ME506717
-
-
1.1098622
-
Levoamine (Chloramphenicol D base)
-
ME510198
-
-
1.989
-
LFM-A13
-
ME509118
-
-
7.21
-
L-glycyl-L-hydroxyproline
L-Glycyl-L-hydroxyproline
ME507186
-
-
1.9075454
-
L-Homocysteine sulfonic acid
-
ME510199
-
-
2.219
-
L-Homoserine lactone
-
ME506879
-
C19777
5.699895
-
L-Homoserine lactone -5.675
-
ME509119
-
C19777
5.675
-
L-Homotyrosine
Homotyrosine
ME510200
-
C18622
1.432
-
L-Iditol
L-Iditol
ME510201
-
C01507
6.053
-
Limonoate
-
ME508067
-
C01593
1.6834999
-
Linalyl diphosphate
-
ME510202
-
C05308
0.708
-
Linderalactone
-
ME510203
-
C17425
2.488
-
Lipoxin C4
Lipoxin C4
ME510204
-
-
2.433
-
Lipoxin E4
Lipoxin E4
ME509120
-
-
1.0435
-
Lipoxin E4 -2.373
Lipoxin E4
ME510205
-
-
2.373
-
Liquiritigenin
Liquiritigenin
ME507089
-
C09762
1.1021539
-
Lisuride
-
ME508068
-
-
0.82325
-
Lisuride -0.8995
-
ME509121
-
-
0.8995
-
lithocholic acid sulfate
Lithocholic acid sulfate
ME507037
-
-
0.9212144
-
lithocholic acid sulfate -1.1495
Lithocholic acid sulfate
ME509122
-
-
1.1495
-
lithocholic acid sulfate -1.176
Lithocholic acid sulfate
ME510206
-
-
1.176
-
lithocholic acid sulfate -1.3424
Lithocholic acid sulfate
ME507826
-
-
1.3424
-
L-Lyxonate
-
ME510207
-
C05412
1.104
-
L-Mimosine
Mimosine
ME507827
-
C04771
0.71520007
-
L-Olivosyl-oleandolide
L-Olivosyl-oleandolide
ME509123
-
C11991
2.3985
-
L-Olivosyl-oleandolide -1.337
L-Olivosyl-oleandolide
ME510208
-
C11991
1.337
-
Lophotoxin
Lophotoxin
ME509124
-
C13680
1.1255
-
Loroxanthin ester/ Loroxanthin dodecenoate
Loroxanthin dodecenoate
ME507654
-
-
1.3386666
-
L-prolyl-L-glycine
Pro-Gly
ME508342
-
-
5.3700004
-
L-threo-3-Methylmalate
-
ME509125
-
C06029
1.6010001
-
Luliconazole
Luliconazole
ME510209
-
C13478
1.576
-
Lunarine
Lunarine
ME509126
-
-
1.804
-
L-Urobilin
L-Urobilin
ME507187
-
C05793
1.4717273
-
L-Urobilin -1.5023334
L-Urobilin
ME506992
-
C05793
1.5023334
-
L-Urobilin -1.569
L-Urobilin
ME510210
-
C05793
1.569
-
L-Urobilin -5.948636
L-Urobilin
ME507188
-
C05793
5.948636
-
L-Urobilinogen
L-Urobilinogen
ME506926
-
C05789
1.5170587
-
L-Urobilinogen -2.1114998
L-Urobilinogen
ME509127
-
C05789
2.1114998
-
Lusitanicoside
Lusitanicoside
ME509128
-
C10474
3.0895
-
Luteolin 5,3'-dimethyl ether
-
ME508343
-
-
2.167
-
Luteolin 5,3'-dimethyl ether -2.235
-
ME510211
-
-
2.235
-
LY364947
-
ME510212
-
-
1.248
-
Lys Arg Arg
Lys-Arg-Arg
ME506752
-
-
1.1101153
-
Lys His Thr
Lys-His-Thr
ME508069
-
-
3.5285
-
Lys Lys Trp
Lys-Lys-Trp
ME507267
-
-
1.2626
-
Lys Lys Trp -1.3388147
Lys-Lys-Trp
ME506741
-
-
1.3388147
-
Lys Phe Gln
Lys-Phe-Gln
ME507521
-
-
1.2694285
-
Lys Thr His
Lys-Thr-His
ME510213
-
-
2.912
-
Machaerol C
-
ME510214
-
-
1.342
-
Maculosine
-
ME507828
-
C10718
1.1184
-
Madecassic Acid
-
ME510215
-
-
1.38
-
Magnoshinin
Magnoshinin
ME506896
-
C10658
0.9927778
-
Mahuannin D
Mahuannin D
ME510216
-
C10234
0.947
-
Makisterone A
-
ME507326
-
C16874
1.3667779
-
Makisterone A -1.456
-
ME508344
-
C16874
1.456
-
Maleic hydrazide
-
ME507090
-
C18474
1.4623845
-
Mallotophenone
Mallotophenone
ME509129
-
C10708
1.3234999
-
Malvidin 3-caffeylrutinoside-5-glucoside
-
ME510217
-
-
6.562
-
Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyrano...
-
ME509130
-
-
6.061
-
Malyngamide T
-
ME506670
-
-
1.1111563
-
m-Aminophenol
-
ME510218
-
C05058
0.918
-
m-Aminophenol -3.897
-
ME510219
-
C05058
3.897
-
Mannosyl-1beta-phosphomycoketide C34
-
ME507522
-
-
1.2547143
-
Maximaisoflavone H
-
ME510220
-
-
6.059
-
Mayolene-18
Mayolene-18
ME510221
-
-
1.082
-
MC-5127
-
ME509131
-
C11068
2.8249998
-
m-Chlorophenylbiguanide
-
ME506962
-
C13646
3.33775
-
Mecarbinzid
-
ME507423
-
C18942
1.1357499
-
Mecarbinzid -1.2121668
-
ME507655
-
C18942
1.2121668
-
Mefloquine
Mefloquine
ME508345
-
C07633
6.0563335
-
MeIQ
-
ME510222
-
C19254
1.198
-
Melampodin A
-
ME509132
-
C09500
1.3859999
-
Melampodin A -1.45
-
ME510223
-
C09500
1.45
-
Melezitose
Melezitose
ME509133
-
C08243
6.174
-
Melezitose -6.32
Melezitose
ME510224
-
C08243
6.32
-
(-)-menthyl beta-D-glucoside
Menthyl beta-D-glucoside
ME508415
-
C03962
1.4995
-
Mephenesin
-
ME507038
-
-
1.5254999
-
Mephenesin -1.5735
-
ME509134
-
-
1.5735
-
Mequitazine
-
ME507138
-
C12755
2.9391668
-
Mequitazine -3.077875
-
ME507424
-
C12755
3.077875
-
Mequitazine -3.583143
-
ME507523
-
C12755
3.583143
-
Mequitazine -3.7196665
-
ME507656
-
C12755
3.7196665
-
Merphalan
-
ME507657
-
C19256
3.7935002
-
Mesobilirubinogen
Mesobilirubinogen
ME507189
-
C05790
1.4527272
-
Mesoporphyrin IX
-
ME507658
-
-
5.9943333
-
meso-Tartaric acid
Meso-tartaric acid
ME506671
-
C00552
1.0287187
-
Metalaxyl-M
Metalaxyl-M
ME506819
-
C18626
1.0097274
-
Metalaxyl-M -0.98
Metalaxyl-M
ME510228
-
C18626
0.98
-
Met Asn His
Met-Asn-His
ME507425
-
-
0.816
-
Met-Asn-OH
-
ME509136
-
-
1.4085
-
Metazachlor
Metazachlor
ME510229
-
C10948
2.187
-
Met Cys Asn
Met-Cys-Asn
ME510225
-
-
1.389
-
Met-Gly-OH
-
ME507829
-
-
1.6698
-
Methanesulfonic acid
Methanesulfonic acid
ME507327
-
C11145
2.3561113
-
?methasone valerate
-
ME507865
-
-
0.98825
-
Methasulfocarb
-
ME508346
-
C18746
2.2626667
-
Methazolamide
Methazolamide
ME510230
-
C07764
2.18
-
Methazole
-
ME509137
-
C19123
0.913
-
Methdilazine
Methdilazine
ME510231
-
C07175
1.188
-
Methenolone
-
ME507830
-
-
1.0794001
-
Met His Met
Met-His-Met
ME508070
-
-
5.4179997
-
Met His Met -5.555
Met-His-Met
ME510226
-
-
5.555
-
Methitural
Methitural
ME508071
-
C07558
6.1744995
-
Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-...
-
ME510232
-
C11495
2.421
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME507426
-
-
0.82875
-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...
-
ME509138
-
-
1.3875
-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...
-
ME509139
-
-
0.84099996
-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...
-
ME510233
-
-
0.96
-
Methyl acetate
Methyl acetate
ME507659
-
C17530
1.8395001
-
Methyl acetate -1.895
Methyl acetate
ME510234
-
C17530
1.895
-
Methyl Gamboginate
-
ME509140
-
-
2.4685001
-
Methyl Parathione
Parathion-methyl
ME508072
-
C14228
5.41475
-
Methylprednisolone succinate
-
ME508347
-
C07907
1.4923334
-
Methylsuccinic acid
Methylsuccinic acid
ME506742
-
C08645
1.6078148
-
Met-Ile-OH
-
ME510235
-
-
3.521
-
Met Ser Met
Met-Ser-Met
ME510227
-
-
6.061
-
Met Trp
Met-Trp
ME509135
-
-
1.379
-
Metyrapol
-
ME509141
-
-
1.2
-
MG(0:0/18:0/0:0)
MG 0:0/18:0/0:0
ME506672
-
-
1.1099688
-
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)
MG 0:0/18:4(6Z,9Z,12Z,15Z)/0:0*
ME508348
-
-
0.81400007
-
MG(0:0/20:3(8Z,11Z,14Z)/0:0)
MG 0:0/20:3(8Z,11Z,14Z)/0:0*
ME509142
-
-
1.2639999
-
MG(0:0/20:3(8Z,11Z,14Z)/0:0) -1.17
MG 0:0/20:3(8Z,11Z,14Z)/0:0*
ME510236
-
-
1.17
-
MG(16:0/0:0/0:0)[rac]
MG 16:0/0:0/0:0
ME510237
-
-
1.122
-
MG(16:1(9Z)/0:0/0:0)
MG 16:1(9Z)/0:0/0:0
ME510238
-
-
1.478
-
MGDG(18:1(9Z)/18:1(9Z))
MGDG 18:1(9Z)/18:1(9Z)*
ME508073
-
-
1.3399999
-
Miconazole
-
ME507524
-
C07223
1.2148572
-
Microlenin
-
ME507139
-
C09510
1.0507499
-
Microlenin -1.114389
-
ME506897
-
C09510
1.114389
-
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R...
-
ME507427
-
-
1.18375
-
MID41953:(6RS)-22-hydroxy-23,24,25,26,27-pentanorv...
-
ME506993
-
-
0.90066665
-
MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-1...
-
ME510239
-
-
1.338
-
MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-2...
-
ME509143
-
-
1.4735
-
MID42085:(6RS)-6,19-epidioxy-24,24-difluoro-25-hyd...
-
ME509144
-
-
1.856
-
MID42131:(23S,25R)-1?,25-dihydroxyvitamin D3 26,23...
-
ME507525
-
-
1.3417143
-
MID42321:1?-hydroxy-22-(3-methylphenyl)-23,24,25,2...
-
ME508074
-
-
1.1677499
-
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-...
-
ME509145
-
-
1.21
-
MID42439:1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl...
-
ME508349
-
-
2.127
-
MID42477:1?,25-dihydroxy-2?-(3-hydroxypropoxy)-19-...
-
ME507190
-
-
1.3214545
-
MID42477:1?,25-dihydroxy-2?-(3-hydroxypropoxy)-19-...
-
ME509146
-
-
1.2555
-
MID42519:1?-hydroxy-18-(4-hydroxy-4-methyl-2-penty...
-
ME507328
-
-
1.1121111
-
MID73229:(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11...
-
ME510240
-
C19559
1.099
-
MID84159:26-O-beta-D-glucopyranosyl-3beta,26-dihyd...
-
ME510241
-
-
2.35
-
Millettin
-
ME510242
-
-
1.078
-
Milrinone
Milrinone
ME509147
-
C07224
6.053
-
Minabeolide-8
-
ME506788
-
-
1.1120833
-
Minosaminomycin
-
ME507268
-
C17969
1.5194
-
Mirasan
Mirasan
ME507526
-
C11716
1.4954287
-
Mirasan -1.356
Mirasan
ME510243
-
C11716
1.356
-
Mitragynine
-
ME509148
-
C09226
1.3740001
-
Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tet...
-
ME510244
-
-
1.831
-
MK 0457
-
ME506963
-
-
1.9858125
-
MK826
MK826
ME510245
-
C12017
1.22
-
Moexipril
-
ME509149
-
C07704
3.0335002
-
Mollupentin
-
ME509150
-
-
2.6655002
-
Mometasone Metabolite (Pregna-1,4-diene-3,20-dione...
-
ME510246
-
-
3.402
-
monodesmethyl chlorpheniramine
-
ME509151
-
-
0.9745
-
Monomethyl sulfate
Methyl sulfate
ME509152
-
C02704
0.953
-
Monomethyl sulfate -1.109
Methyl sulfate
ME510247
-
C02704
1.109
-
Mono-N-depropylprobenecid
-
ME510248
-
-
2.1
-
Montanin
Montanin
ME509153
-
C09135
1.3610001
-
MRE-269
-
ME507329
-
-
1.3256668
-
MRE-269 -1.2697144
-
ME507527
-
-
1.2697144
-
MRE-269 -1.315
-
ME510249
-
-
1.315
-
m-Trifluoromethylhippuric acid
-
ME507091
-
-
1.6921538
-
Multifidol
Multifidol
ME508075
-
C10709
1.21225
-
Multifidol -1.2563999
Multifidol
ME506994
-
C10709
1.2563999
-
Mycalamide A
-
ME509154
-
C17008
3.033
-
Myclozolin
-
ME507092
-
C18921
6.2381535
-
Mycophenolic Acid
Mycophenolic acid
ME510250
-
-
3.548
-
Myristic Acid Alkyne
-
ME509155
-
-
1.132
-
Myristic Acid Alkyne -1.2988571
-
ME507528
-
-
1.2988571
-
Myristic Acid ethyl ester
Ethyl tetradecanoate
ME507660
-
-
1.0945
-
N-(2,3-Dihydroxybenzoyl)-L-serine
N-(2,3-Dihydroxybenzoyl)-L-serine
ME510251
-
C04204
0.745
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME506964
-
C12986
6.238062
-
N2-Acetyl-L-aminoadipate -6.0755
N-Acetyl-2-aminoadipic acid
ME509160
-
C12986
6.0755
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME509158
-
C04020
6.427
-
N2-(D-1-Carboxyethyl)-L-lysine -6.521
D-Lysopine
ME510255
-
C04020
6.521
-
N2,N5-Dibenzoyl-L-ornithine
-
ME509159
-
C03712
2.01
-
N2,N5-Dibenzoyl-L-ornithine -2.098
-
ME510256
-
C03712
2.098
-
N,6-O-Disulfo-D-glucosamine
-
ME507831
-
C03789
1.6944001
-
N,6-O-Disulfo-D-glucosamine -1.6922382
-
ME506832
-
C03789
1.6922382
-
N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid
-
ME510252
-
C15466
1.248
-
Nabam
-
ME507330
-
C18748
13.390888
-
N-Acetyl-9-O-lactoylneuraminic acid
N-Acetyl-9-O-lactoylneuraminic acid
ME509161
-
-
6.0535
-
N-Acetyl-L-2-amino-6-oxopimelate
-
ME509162
-
C05539
6.059
-
N-Acetyl-leu-leu-tyr-amide
NAc-LLY-amide
ME509163
-
C11297
1.1135
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME507832
-
C00624
6.0658
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME510257
-
C00645
3.339
-
N-Acetylsulfadiazine
-
ME509164
-
-
2.8845
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME510258
-
-
2.381
-
Nafenopin glucuronide
-
ME507661
-
C11608
0.9004999
-
Nalbuphine-6-glucuronide
-
ME507833
-
-
1.4408001
-
N(alpha)-gamma-L-Glutamylhistamine
N(alpha)-gamma-Glutamylhistamine
ME508350
-
C04138
3.268
-
N(alpha)-gamma-L-Glutamylhistamine -3.49
N(alpha)-gamma-Glutamylhistamine
ME510253
-
C04138
3.49
-
Naphthalic anhydride
-
ME510259
-
C19125
1.402
-
Nap-Nap-OH
-
ME509165
-
-
3.914
-
(Ñ©-Naringenin
Naringenin
ME509311
-
-
1.632
-
NBD-FTY720 phenoxy
-
ME507428
-
-
1.6021249
-
N-Benzylformamide
N-benzylformamide
ME510260
-
C15561
1.603
-
n-Butyl-2-cyanoacrylate
-
ME509166
-
C13415
1.447
-
N-Desmethyltolmetin
-
ME509167
-
-
1.074
-
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME510261
-
C03142
1.107
-
N-Didesethylquinagolide sulfate
-
ME510262
-
-
6.059
-
N-D-Ribosylpurine
Nebularine
ME506880
-
C15586
3.0348423
-
N-D-Ribosylpurine -2.4475
Nebularine
ME507662
-
C15586
2.4475
-
N-D-Ribosylpurine -2.468
Nebularine
ME510263
-
C15586
2.468
-
N-D-Ribosylpurine -2.6238
Nebularine
ME507834
-
C15586
2.6238
-
N-D-Ribosylpurine -2.9313333
Nebularine
ME507663
-
C15586
2.9313333
-
N-D-Ribosylpurine -3.302
Nebularine
ME510264
-
C15586
3.302
-
Nebramycin factor 5'
-
ME508076
-
C18001
0.9465
-
Nefazodone
Nefazodone
ME510265
-
C07256
1.118
-
Neosakuranin
-
ME506673
-
-
4.026593
-
Neosaxitoxin
-
ME510266
-
C17208
2.62
-
N-Feruloylglycine
N-Feruloylglycine
ME509168
-
C02564
3.3485
-
N-Hydroxy-L-phenylalanine
-
ME507429
-
C19712
6.031125
-
Nigakilactone M
-
ME509169
-
C17035
2.9275
-
Nimustine
-
ME509170
-
-
5.71
-
Nimustine -5.713
-
ME510267
-
-
5.713
-
Niridazole
-
ME510268
-
C19268
1.188
-
N-isovalerylglycine
Isovalerylglycine
ME508077
-
-
1.907
-
Nithiazide
-
ME508078
-
C19468
1.6947501
-
Nitrilotriacetic acid
Nitrilotriacetic acid
ME510269
-
C14695
1.703
-
Nitroprusside
-
ME508079
-
C07269
13.38125
-
Nitrotyrosine
Nitrotyrosine
ME510270
-
-
2.289
-
Nitrotyrosine -0.7335
Nitrotyrosine
ME509171
-
-
0.7335
-
Nitrotyrosine -2.313
Nitrotyrosine
ME510271
-
-
2.313
-
Nitrovin
-
ME509172
-
C19487
2.4060001
-
Nitrovin -3.603
-
ME510272
-
C19487
3.603
-
N-Methylanthranilic Acid
2-(Methylamino)benzoic acid
ME507664
-
C03005
1.1851667
-
N-Methylanthranilic Acid -0.859
2-(Methylamino)benzoic acid
ME510273
-
C03005
0.859
-
N-Methylanthranilic Acid -2.37
2-(Methylamino)benzoic acid
ME510274
-
C03005
2.37
-
N-methylundec-10-enamide
-
ME506710
-
-
1.3350669
-
N-Monodesmethyldiltiazem
-
ME510275
-
-
2.132
-
N,N'-bis(2-chloroethyl)- Urea (Carmustine Metaboli...
-
ME509156
-
-
1.1265
-
N,N-Dihydroxy-L-tyrosine
N,N-Dihydroxy-tyrosine
ME509157
-
C15503
1.213
-
N-Nitrosoguvacine
-
ME510276
-
C19481
1.774
-
N-Nitrosoguvacine -2.218
-
ME510277
-
C19481
2.218
-
N-Nitrosoproline
N-Nitrosoproline
ME507140
-
C19485
1.5064167
-
N-Nitrosoproline -1.4154999
N-Nitrosoproline
ME509173
-
C19485
1.4154999
-
Nocardicin B
-
ME510278
-
C17350
5.419
-
N,O-Didesmethylverapamil
-
ME510254
-
-
1.223
-
Nonate
Nonate
ME506674
-
-
1.2706873
-
Nonate -1.7033333
Nonate
ME508351
-
-
1.7033333
-
Norbormide
-
ME508352
-
C19139
1.3356667
-
Norepinephrine sulfate
Norepinephrine sulfate
ME510279
-
-
2.014
-
N-ornithinyl-35-aminobacteriohopane-32,33,34-triol
-
ME508080
-
-
1.0827501
-
NPC
-
ME507529
-
C16543
5.697
-
n-Propyl gallate
-
ME510280
-
C11155
2.284
-
NS-102
-
ME510281
-
C13731
2.242
-
(N-Sulfoindol-3-yl)methylglucosinolate
-
ME509304
-
C08428
1.427
-
NU 7026
-
ME509174
-
-
1.3915
-
Nystatin A1
-
ME509175
-
C12155
1.0085
-
O-Acetylhomoserine
O-Acetyl-homoserine
ME508081
-
C01077
2.4685
-
o-Benzosemiquinone
-
ME509176
-
C05060
1.99
-
o-Hydroxyatorvastatin (Glucoronide_2)
-
ME509177
-
-
5.967
-
Okanin
-
ME508353
-
C08724
2.1676667
-
Olanzapine
Olanzapine
ME507530
-
C07322
3.5584285
-
Olanzapine -3.569
Olanzapine
ME510282
-
C07322
3.569
-
Olanzapine -3.5884998
Olanzapine
ME507665
-
C07322
3.5884998
-
Oligomycin B
Oligomycin B
ME508354
-
C11312
1.3390001
-
omega-Carboxy-N-acetyl-LTE4
-
ME506927
-
C11629
1.0922352
-
omega-Carboxy-N-acetyl-LTE4 -1.1268333
-
ME507666
-
C11629
1.1268333
-
Onnamide A
-
ME510283
-
C15762
2.528
-
Ophiopogonin B
-
ME510284
-
C17038
0.924
-
Orotidine
Orotidine
ME507093
-
C01103
6.238076
-
Orotidine -1.119
Orotidine
ME509178
-
C01103
1.119
-
Orotidine -2.288
Orotidine
ME508355
-
C01103
2.288
-
Orthoform
-
ME510285
-
C14171
1.242
-
Otonecine
Otonecine
ME508356
-
C10356
2.2643335
-
Ouabain
Ouabain
ME509179
-
C01443
3.257
-
Ouabain -1.9
Ouabain
ME510286
-
C01443
1.9
-
Oxaloglutarate
2-Oxaloglutaric acid
ME510287
-
C05533
2.588
-
Oxaloglutarate -2.0813334
2-Oxaloglutaric acid
ME508357
-
C05533
2.0813334
-
Oxidized dinoflagellate luciferin
Oxidized dinoflagellate luciferin
ME510288
-
C19705
3.191
-
Oxidized Photinus luciferin
Oxidized Photinus luciferin
ME510289
-
C03797
1.167
-
Oxmetidine
Oxmetidine
ME510290
-
C11803
1.513
-
P1,P2-Bis(5'-adenosyl) triphosphate
-
ME510292
-
C04307
1.165
-
PA(19:3(10Z,13Z,16Z)/0:0)
PA 19:3(10Z,13Z,16Z)/0:0*
ME510293
-
-
5.683
-
PA(20:1(11Z)/0:0)
PA 20:1(11Z)/0:0
ME508358
-
-
1.3436667
-
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,...
PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME506853
-
-
5.6710997
-
Paeonilactone A
-
ME510294
-
C17454
1.097
-
Paeonilactone A -1.278
-
ME510295
-
C17454
1.278
-
Paeonilactone C
-
ME510296
-
C17456
1.668
-
Paeonolide
Paeonolide
ME509180
-
C10715
0.97150004
-
Palisadin B
-
ME510297
-
-
1.208
-
Pandaroside A
-
ME509181
-
-
1.0044999
-
Pandaroside A -1.4645
-
ME509182
-
-
1.4645
-
Pantetheine
Pantetheine
ME509183
-
C00831
1.809
-
Pantothenic Acid
Pantothenic acid
ME506697
-
C00864
2.493258
-
Pantothenic Acid -2.475
Pantothenic acid
ME510298
-
C00864
2.475
-
Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamno...
-
ME506928
-
-
1.4264706
-
Patulin
-
ME509184
-
C16748
1.1470001
-
Patulin -1.6636667
-
ME508359
-
C16748
1.6636667
-
p-Cresol sulfate
p-Cresol sulfate
ME507039
-
C06677
2.4169285
-
p-Cresol sulfate -1.167
p-Cresol sulfate
ME510299
-
C06677
1.167
-
p-Cresol sulfate -2.4483335
p-Cresol sulfate
ME508360
-
C06677
2.4483335
-
PD 98059
-
ME510300
-
-
1.583
-
PE(16:0/0:0)
LPE 16:0/0:0
ME507835
-
-
1.3396
-
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z...
PE 20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)*
ME507836
-
-
1.3354
-
Pectenotoxin 1
-
ME509185
-
C16871
0.923
-
pedilstatin
-
ME507040
-
C09143
0.9992142
-
pedilstatin -0.96036357
-
ME507191
-
C09143
0.96036357
-
Pelargonyl acetic acid
-
ME507837
-
-
1.098
-
Pendimethalin
Pendimethalin
ME508361
-
C11019
2.11
-
Penicillic acid
-
ME509186
-
C19495
5.204
-
Pentadecyl oleate
-
ME509187
-
-
1.0885
-
Pentetic acid
-
ME509188
-
-
1.393
-
Perfoliatumin B
-
ME510301
-
-
5.482
-
Perfoliatumin B -5.613
-
ME510302
-
-
5.613
-
Perindoprilat lactam A
-
ME507331
-
-
1.6041111
-
Perindoprilat lactam A -1.6065
-
ME509189
-
-
1.6065
-
Perlolyrine
Perlolyrine
ME510303
-
C09231
4.484
-
Permethrin
-
ME509190
-
C19864
1.8745
-
PF-622
-
ME510304
-
-
2.664
-
PG(14:0/0:0)
LPG 14:0/0:0
ME510305
-
-
2.552
-
PG(14:0/0:0)[U]
LPG 14:0/0:0
ME508362
-
-
1.1826668
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PG 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME507430
-
-
1.68325
-
PG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
PG 22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)*
ME509191
-
-
1.337
-
PGD2-dihydroxypropanylamine
-
ME507332
-
-
1.6872222
-
PGD2-dihydroxypropanylamine -1.5306667
-
ME508365
-
-
1.5306667
-
PGD2-dihydroxypropanylamine -1.836
-
ME507667
-
-
1.836
-
PGE1-EA
PGE1-EA
ME510307
-
-
1.108
-
PGG2
PGG2
ME508083
-
C05956
1.1175
-
PGI2-EA
PGI2-EA
ME507141
-
-
1.3390833
-
PG(O-16:0/13:0)
PG O-16:0/13:0
ME508363
-
-
1.3246666
-
PG(O-16:0/20:2(11Z,14Z))
PG O-16:0/20:2(11Z,14Z)*
ME507838
-
-
1.2622001
-
PG(O-16:0/20:2(11Z,14Z)) -1.3383572
PG O-16:0/20:2(11Z,14Z)*
ME507041
-
-
1.3383572
-
PG(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME508364
-
-
1.7363333
-
PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME510306
-
-
1.18
-
PG(P-20:0/14:0)
PG P-20:0/14:0
ME508082
-
-
1.2415
-
Phe Gln Glu
Phe-Gln-Glu
ME509192
-
-
1.333
-
Phe Ile
Phe-Ile
ME510308
-
-
2.948
-
Phenisopham
-
ME510309
-
C19061
1.334
-
Phenmedipham
-
ME508366
-
C18420
1.4573332
-
Phenyl acetate
Phenyl acetate
ME506995
-
C00548
1.1441998
-
Phenyl acetate -0.788
Phenyl acetate
ME510310
-
C00548
0.788
-
Phenyl acetate -1.201
Phenyl acetate
ME510311
-
C00548
1.201
-
Phenyl acetate -1.2441666
Phenyl acetate
ME507668
-
C00548
1.2441666
-
Phenyl beta-D-glucopyranoside
Phenylglucoside
ME509195
-
C11611
1.4955
-
Phenylbutazone glucuronide
-
ME510312
-
-
1.111
-
Phenyl glucuronide
Phenyl glucuronide
ME508084
-
-
1.26175
-
Phenyl glucuronide -1.32875
Phenyl glucuronide
ME507431
-
-
1.32875
-
Phenyl glucuronide -1.4233333
Phenyl glucuronide
ME508367
-
-
1.4233333
-
phenylglycol 3-O-sulfate
-
ME507042
-
-
2.201857
-
Phe Phe Arg
Phe-Phe-Arg
ME509193
-
-
0.9395
-
Phe Phe Ile
Phe-Phe-Ile
ME509194
-
-
1.059
-
Phe Tyr Ile
Phe-Tyr-Ile
ME506718
-
-
1.1118621
-
Phorate
-
ME507269
-
C18690
2.2054
-
Phorate -2.176
-
ME510313
-
C18690
2.176
-
Phorate -2.203
-
ME507669
-
C18690
2.203
-
Phosphatidyl glycerol
sn-Glycero-3-phosphoglycerol
ME508085
-
C03274
2.7335
-
Phosphoenol-4-deoxy-3-tetrulosonate
-
ME509196
-
C04309
1.2030001
-
Phosphoribosylamine
Phosphoribosylamine
ME509197
-
-
1.8755
-
Phosphoribosylamine -1.6001999
Phosphoribosylamine
ME507839
-
-
1.6001999
-
Phoxim
-
ME506727
-
C18757
1.0278214
-
Phoxim -1.0652499
-
ME508086
-
C18757
1.0652499
-
Phoxim -1.1015
-
ME506675
-
C18757
1.1015
-
P-Hydroxydesmethylgliquidone
-
ME508087
-
-
1.182
-
p-Hydroxyfelbamate
p-Hydroxyfelbamate
ME510314
-
C16584
1.416
-
p-Hydroxyfelbamate -1.768
p-Hydroxyfelbamate
ME510315
-
C16584
1.768
-
p-Hydroxygliquidone
-
ME509198
-
-
1.1805
-
p-Hydroxyphenylacetothiohydroximate
-
ME509199
-
C17239
1.255
-
p-Hydroxyphenylacetothiohydroximate -1.517
-
ME510316
-
C17239
1.517
-
p-Hydroxyphenylacetothiohydroximate -4.064
-
ME510317
-
C17239
4.064
-
Physovenine
-
ME508368
-
C09232
2.2523334
-
phytanoyl-Coenzyme A
Phytanoyl-CoA
ME510318
-
C02060
1.069
-
Phytuberin
Phytuberin
ME506676
-
C09709
1.1591876
-
Phytuberin -1.1075332
Phytuberin
ME506711
-
C09709
1.1075332
-
Phytuberin -2.395
Phytuberin
ME510319
-
C09709
2.395
-
Phytuberin -2.4895
Phytuberin
ME509200
-
C09709
2.4895
-
PI-103
-
ME510324
-
-
1.01
-
PI(13:0/21:0)
PI 13:0/21:0
ME507432
-
-
1.688
-
PI(13:0/21:0) -1.525
PI 13:0/21:0
ME510320
-
-
1.525
-
PI(13:0/21:0) -1.8355001
PI 13:0/21:0
ME507670
-
-
1.8355001
-
PI(16:0/18:2(9Z,12Z))
PI 16:0/18:2(9Z,12Z)*
ME509201
-
-
1.4779999
-
PI(17:1(9Z)/0:0)
PI 17:1(9Z)/0:0
ME508369
-
-
1.4703332
-
PI(19:0/0:0)
LPI 19:0/0:0*
ME510321
-
-
0.985
-
PI(20:0/0:0)
LPI 20:0/0:0*
ME510322
-
-
0.978
-
PI(20:4(5Z,8Z,11Z,14Z)/0:0)
PI 20:4(5Z,8Z,11Z,14Z)/0:0*
ME508088
-
-
1.3410001
-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PI 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME510323
-
-
2.415
-
PI(22:0/18:3(9Z,12Z,15Z))
PI 22:0/18:3(9Z,12Z,15Z)*
ME506677
-
-
1.0070313
-
PI(22:2(13Z,16Z)/0:0)
PI 22:2(13Z,16Z)/0:0*
ME507433
-
-
1.6912501
-
Picein
Picein
ME507192
-
C10720
1.629909
-
Picolinic acid
Picolinic acid
ME508370
-
C10164
4.067
-
Picrasin C
-
ME510325
-
C08776
1.897
-
Pindone
-
ME507671
-
C19141
1.1220001
-
Pinnasterol
-
ME509203
-
-
1.29
-
PIP(16:1(9Z)/18:0)
-
ME509204
-
C00626
1.0885
-
PI(P-18:0/0:0)
PI P-18:0/0:0*
ME509202
-
-
2.005
-
PIP(18:0/16:0)
PI P-18:0/16:0
ME510326
-
C00626
1.469
-
PIP(20:2(11Z,14Z)/16:0)
-
ME510327
-
C00626
1.083
-
Piplartine
Piplartine
ME510328
-
C10166
1.329
-
Pivalic acid
-
ME509205
-
-
1.4865
-
p-Nitrophenyl-O-ethyl ethylphosphonate
-
ME510329
-
C13048
3.326
-
p-[N-Propyl-N-(2-carboxyethyl)sulfamoyl]benzoic ac...
-
ME510291
-
-
2.089
-
Podecdysone B
-
ME510330
-
C08832
1.361
-
Poly-g-D-glutamate
-
ME509206
-
C05723
3.253
-
Polygonolide
-
ME507142
-
C09963
0.9131666
-
Pongamoside C
-
ME509207
-
-
1.493
-
Populin
-
ME506797
-
C10823
1.3932608
-
Populin -1.6078182
-
ME507193
-
C10823
1.6078182
-
Postin
-
ME507531
-
-
1.2057142
-
p-Phenetidine
-
ME510331
-
-
2.116
-
p-Phenetidine -2.2392502
-
ME508089
-
-
2.2392502
-
p-Phenetidine -2.8149998
-
ME508371
-
-
2.8149998
-
p-Phenetidine -3.074
-
ME510332
-
-
3.074
-
p-Phenetidine -3.722
-
ME510333
-
-
3.722
-
Prasterone sulfate
Dehydroepiandrosterone sulfate
ME507840
-
C04555
0.962
-
Prasterone sulfate -0.908
Dehydroepiandrosterone sulfate
ME508372
-
C04555
0.908
-
Precorrin 1
Precorrin-1
ME509208
-
C15527
6.547
-
Precorrin 1 -6.5553336
Precorrin-1
ME508373
-
C15527
6.5553336
-
Pregna-4,16-diene-3,11,20-trione
-
ME506698
-
C15146
0.9774839
-
Pregna-4,16-diene-3,11,20-trione -1.1098
-
ME507270
-
C15146
1.1098
-
Pregna-4,16-diene-3,11,20-trione -2.0986874
-
ME506678
-
C15146
2.0986874
-
Pregna-4,16-diene-3,11,20-trione -2.40952
-
ME506771
-
C15146
2.40952
-
Pregnanolone sulfate
-
ME509209
-
-
0.9075
-
Prekinamycin
-
ME510334
-
C12393
1.794
-
Premithramycin A2'
Premithramycin A2'
ME508374
-
C12385
6.0570006
-
Prenyl-L-cysteine
S-Prenyl-L-cysteine
ME509210
-
C06751
1.939
-
Proacacipetalin
-
ME508375
-
C08338
1.524
-
Pro His Pro
Pro-His-Pro
ME510335
-
-
1.675
-
Promacyl
-
ME508376
-
C18955
1.2556667
-
Propafenone glucuronide
-
ME510338
-
-
2.21
-
Propane, 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3...
-
ME510339
-
-
5.692
-
Propane, 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3...
-
ME509213
-
-
1.8745
-
Propanil
Propanil
ME509214
-
C14229
6.4065
-
Propanil -2.264
Propanil
ME510340
-
C14229
2.264
-
Propiconazole
-
ME508091
-
C11121
6.23725
-
Propoxur
Propoxur
ME508377
-
C14334
1.0743333
-
Pro Pro Arg
Pro-Pro-Arg
ME508090
-
-
1.379
-
Pro Pro Met
Pro-Pro-Met
ME509211
-
-
2.2125
-
Proscillaridin A
Proscillaridin A
ME507841
-
C12816
2.4094
-
Proscillaridin A -0.99600005
Proscillaridin A
ME508378
-
C12816
0.99600005
-
Prosolanapyrone III
-
ME510341
-
C19934
1.206
-
Protionamide
-
ME508379
-
C12595
1.0496668
-
Protionamide sulfoxide
-
ME509215
-
-
1.198
-
protoporphyrin IX
Protoporphyrin
ME509216
-
C02191
3.2555
-
protoporphyrin IX -0.924
Protoporphyrin
ME510342
-
C02191
0.924
-
Pro Trp Gly
Pro-Trp-Gly
ME509212
-
-
2.2350001
-
Pro Trp Gly -2.132
Pro-Trp-Gly
ME510336
-
-
2.132
-
Pro Trp Met
Pro-Trp-Met
ME507672
-
-
1.2898334
-
Pro Trp Met -1.372
Pro-Trp-Met
ME510337
-
-
1.372
-
PS(16:0/0:0)
LPS 16:0/0:0
ME509217
-
-
2.9155002
-
PS(18:1(9Z)/0:0)[U]
PS 18:1(9Z)/0:0
ME510343
-
-
1.278
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,...
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME508380
-
-
1.3413334
-
Pseudouridine
Pseudouridine
ME506679
-
C02067
1.690406
-
Pseudouridine -2.276
Pseudouridine
ME506965
-
C02067
2.276
-
PS(O-18:0/17:0)
PS O-18:0/17:0
ME508381
-
-
1.1086667
-
PtdIns-(4,5)-P2-fluorescein
-
ME510344
-
-
1.005
-
Pterine
Pterin
ME510345
-
C00715
2.701
-
Pterosterone
Pterosterone
ME507434
-
C08838
1.34225
-
Pterosterone -1.2585
Pterosterone
ME509218
-
C08838
1.2585
-
Pterosterone -1.836
Pterosterone
ME509219
-
C08838
1.836
-
Ptilosaponoside B
-
ME510346
-
-
2.91
-
Ptilosaponoside B -2.6065001
-
ME509220
-
-
2.6065001
-
Ptilosaponoside B -3.2535
-
ME509221
-
-
3.2535
-
Ptilosteroid A
-
ME507194
-
-
0.99745446
-
Ptilosteroid B
-
ME506699
-
-
1.1154517
-
Ptilosteroid C
-
ME507195
-
-
0.9949091
-
Ptilosteroid C -1.047
-
ME510347
-
-
1.047
-
Pubescenol
-
ME510348
-
-
1.103
-
Pymetrozine
Pymetrozine
ME510349
-
C18590
1.502
-
Pyrazinamide
Pyrazinamide
ME507842
-
C01956
1.1156
-
Pyrazosulfuron
-
ME507673
-
C18889
0.81049997
-
Pyributicarb
-
ME509222
-
C18422
2.9829998
-
Pyrimethamine-1-N-Oxide
-
ME509223
-
-
2.27
-
Pyrimethamine-3-N-Oxide
-
ME510350
-
-
2.093
-
Pyrithiobac
-
ME507435
-
C18805
1.3662499
-
Quercetagetin 5,6,7,3',4'-pentamethyl ether
-
ME510351
-
-
1.519
-
Quercetagetin hexamethyl ether
-
ME509224
-
-
1.1925
-
Quercetin 3-(2''-galloylrhamnoside)
-
ME510352
-
-
2.769
-
Quercetin 3-glucuronide-3'-sulfate
-
ME509225
-
-
1.4265001
-
Quetiapine
Quetiapine
ME508382
-
C07397
1.8556666
-
Quetiapine -1.9518
Quetiapine
ME507843
-
C07397
1.9518
-
Quinagolide glucuronide
-
ME510353
-
-
3.042
-
Quinidine-10,11-dihydrodiol
-
ME510354
-
-
1.26
-
Quinol glucuronide
-
ME510355
-
-
1.663
-
Quinoline-3-carboxamides
-
ME507333
-
C11694
6.060667
-
Quizalofop
-
ME509226
-
C18763
1.6405001
-
R207910
-
ME509227
-
C14122
1.0875001
-
(R)-2,3-Dihydroxypropane-1-sulfonate
(2R)-3-sulfopropanediol
ME509305
-
C19675
0.929
-
(R)-2,3-Dihydroxypropane-1-sulfonate -1.015
(2R)-3-sulfopropanediol
ME507447
-
C19675
1.015
-
(R)-2,3-Dihydroxypropane-1-sulfonate -1.256
(2R)-3-sulfopropanediol
ME508423
-
C19675
1.256
-
(R)-2,3-Dihydroxypropane-1-sulfonate -2.2194
(2R)-3-sulfopropanediol
ME507686
-
C19675
2.2194
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid
-
ME506719
-
C02237
6.063321
-
Radicicol
-
ME510356
-
-
2.378
-
Ranunculin
Ranunculin
ME510357
-
C08512
6.052
-
Ranunculin -2.1634998
Ranunculin
ME509228
-
C08512
2.1634998
-
Raucaffricine
-
ME510358
-
C02074
1.256
-
Red chlorophyll catabolite
-
ME507844
-
C18022
2.4056
-
Rehmaionoside C
-
ME507043
-
C17452
1.5079285
-
Repaglinide
Repaglinide
ME510359
-
C07670
1.262
-
Repin
-
ME507845
-
-
1.3664
-
Rescinnamine
Rescinnamine
ME507846
-
C06540
2.7793999
-
Rescinnamine -2.868
Rescinnamine
ME510360
-
C06540
2.868
-
Rescinnamine -2.9115
Rescinnamine
ME507674
-
C06540
2.9115
-
Resiniferatoxin
-
ME509229
-
C09179
2.432
-
RG-14620
-
ME510361
-
-
2.884
-
Rhipocephalin
Rhipocephalin
ME508092
-
C09714
1.3575
-
Rhipocephalin -1.191
Rhipocephalin
ME510362
-
C09714
1.191
-
(R)-(Homo)3-citrate
-
ME508422
-
C16598
1.065
-
Ribonic acid
Ribonic acid
ME506712
-
C01685
1.0301
-
Rishitin
Rishitin
ME506680
-
C09715
1.1579374
-
Rishitin -1.1070454
Rishitin
ME506820
-
C09715
1.1070454
-
Risperidone
Risperidone
ME506798
-
C07238
1.0121304
-
Risperidone -1.016
Risperidone
ME510363
-
C07238
1.016
-
Ritanserin
-
ME510364
-
-
6.056
-
(R)-Lactate
Lactic acid
ME507277
-
C00256
2.7883334
-
(R)-Lactate -2.9004
Lactic acid
ME507687
-
C00256
2.9004
-
(R)-Malate
D-Malic acid
ME508424
-
C00497
2.277
-
Ro 31-7549
-
ME510365
-
-
1.288
-
Robustin methyl ether
-
ME510366
-
-
0.808
-
Rosavin
-
ME507847
-
-
3.0916
-
Rosavin -0.967
-
ME509230
-
-
0.967
-
Rosmarinine
Rosmarinine
ME510367
-
C10380
2.208
-
(S)-2-Ethyl-3-hydroxypropionic acid
-
ME509306
-
-
1.528
-
(S)-ACPA
-
ME507541
-
C13673
2.2898333
-
(S)-ACPA -0.738
-
ME509307
-
C13673
0.738
-
Salicin
Salicin
ME507196
-
C01451
1.1928182
-
Salicyluric acid
Salicyluric acid
ME510369
-
C07588
6.126
-
Salvarsan
Salvarsan
ME510370
-
C11744
2.225
-
(-)-Salvisyriacolide
-
ME508416
-
-
3.258
-
Sarin
Sarin
ME510371
-
C11764
2.152
-
Sarmentoside B
-
ME509231
-
-
2.6065001
-
Sarmentosin epoxide
-
ME507143
-
C08341
6.2461667
-
Sarmentosin epoxide -6.139
-
ME510372
-
C08341
6.139
-
Sarothralin
Sarothralin
ME509232
-
C09969
1.834
-
SB 216763
-
ME510373
-
-
1.52
-
(S)-beta-Methylindolepyruvate
-
ME509308
-
C03914
1.253
-
Scandoside methyl ester
Scandoside methyl ester
ME509233
-
C09798
6.0525
-
Sciadopitysin
Sciadopitysin
ME507848
-
C10182
1.0884001
-
Scopolin
Scopolin
ME507197
-
C01527
1.1921818
-
Scutellarein 4'-methyl ether
-
ME507849
-
-
2.1298
-
Scutellarein 4'-methyl ether -2.158
-
ME508383
-
-
2.158
-
Se-Adenosylselenohomocysteine
-
ME507675
-
C05692
2.9160001
-
Se-Adenosylselenohomocysteine -2.7955
-
ME509234
-
C05692
2.7955
-
Secnidazole
-
ME510374
-
-
6.679
-
Secogalioside
Secogalioside
ME508384
-
C11674
0.9376667
-
Secogalioside -0.94873327
Secogalioside
ME506996
-
C11674
0.94873327
-
sec-o-Glucosylhamaudol
-
ME507334
-
C17484
2.0482223
-
sec-o-Glucosylhamaudol -1.274
-
ME510375
-
C17484
1.274
-
sec-o-Glucosylhamaudol -1.5055002
-
ME507676
-
C17484
1.5055002
-
sec-o-Glucosylhamaudol -1.6665001
-
ME509235
-
C17484
1.6665001
-
sec-o-Glucosylhamaudol -2.069
-
ME510376
-
C17484
2.069
-
sec-o-Glucosylhamaudol -2.092
-
ME510377
-
C17484
2.092
-
sec-o-Glucosylhamaudol -2.1016667
-
ME507144
-
C17484
2.1016667
-
sec-o-Glucosylhamaudol -3.1729999
-
ME509236
-
C17484
3.1729999
-
Seleno-L-methionine
Selenomethionine
ME510378
-
C05335
1.047
-
Ser-Ala-OH
-
ME507532
-
-
2.1237142
-
Ser-Ala-OH -2.709
-
ME510379
-
-
2.709
-
Ser Arg
Ser-Arg
ME509237
-
-
1.084
-
Ser-Asp-OH
-
ME507335
-
-
2.1081111
-
Ser-Asp-OH -2.391
-
ME510380
-
-
2.391
-
Ser-Gly-OH
-
ME510381
-
-
2.393
-
Ser His His
Ser-His-His
ME509238
-
-
1.2765
-
Sericetin Diacetate
-
ME508093
-
-
1.182
-
Ser-Met-OH
-
ME510382
-
-
2.61
-
Ser-Ser-OH
-
ME508094
-
-
2.3995
-
Ser-Ser-OH -2.1706667
-
ME508385
-
-
2.1706667
-
Ser-Ser-OH -2.526
-
ME510383
-
-
2.526
-
Ser-Ser-OH -2.6598332
-
ME507677
-
-
2.6598332
-
Ser-Ser-OH -2.9201999
-
ME507850
-
-
2.9201999
-
Ser-Ser-OH -3.234
-
ME510384
-
-
3.234
-
Ser-Ser-OH -3.3636665
-
ME508386
-
-
3.3636665
-
Ser-Thr-OH
-
ME510385
-
-
0.732
-
Sertraline
Sertraline
ME509239
-
C07246
3.8625
-
S-Formylmycothiol
S-Formylmycothiol
ME509240
-
C06718
2.0974998
-
Shanzhiside
-
ME510386
-
C17066
6.054
-
Shihunine
Shihunine
ME507336
-
C10615
3.1607778
-
Shihunine -3.577
Shihunine
ME508387
-
C10615
3.577
-
Shihunine -4.832
Shihunine
ME510387
-
C10615
4.832
-
Silver sulfadiazine
-
ME510388
-
C07260
1.509
-
Silver sulfadiazine -1.604
-
ME510389
-
C07260
1.604
-
Simplexin
-
ME509241
-
C09185
1.5769999
-
Simvastatin-6'-carboxylic acid
-
ME509242
-
-
3.5285
-
Sinapic acid
Sinapic acid
ME509243
-
C00482
1.3425
-
Sinapic acid -1.259
Sinapic acid
ME510390
-
C00482
1.259
-
S-Methyl-5-thio-D-ribose 1-phosphate
5-Methylthioribose 1-phosphate
ME507678
-
C04188
2.25
-
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomet...
-
ME507864
-
C01314
1.5987501
-
SN38 glucuronide
SN-38G
ME508388
-
C11376
1.1073333
-
sn-3-O-(geranylgeranyl)glycerol 1-phosphate
-
ME509244
-
C04590
2.13
-
Solasonine
Solasonine
ME510391
-
C10824
2.185
-
Sophoracoumestan A
Sophoracoumestan A
ME510392
-
-
3.356
-
Soraphen O
-
ME507533
-
C15818
0.8215714
-
S-(Phenylacetothiohydroximoyl)-L-cysteine
-
ME510368
-
C17237
1.198
-
Spirolaurenone
-
ME507145
-
C17114
1.9838333
-
Spirolaurenone -2.211
-
ME510393
-
C17114
2.211
-
(-)-Spongiane-15,16-diol
-
ME507858
-
-
1.10025
-
Spongipregnoloside C
-
ME510394
-
-
1.117
-
SQDG(16:0/16:1(13Z))
SQDG 16:0/16:1(13Z)*
ME510395
-
-
2.29
-
ST638
-
ME510396
-
-
1.19
-
Staurosporine
Staurosporine
ME510397
-
C02079
1.854
-
Stealthin C
Stealthin C
ME510398
-
C12392
2.266
-
Steryl sulfate
-
ME509245
-
C02195
0.9225
-
Steryl sulfate -1.1473333
-
ME508389
-
C02195
1.1473333
-
stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside
-
ME507851
-
-
1.3782
-
Stigmatellin A
Stigmatellin a
ME508390
-
C12148
1.0146667
-
Stigmatellin A -0.969
Stigmatellin a
ME510399
-
C12148
0.969
-
Succinic acid
Succinic acid
ME506799
-
C00042
1.8394783
-
Succinic anhydride
Succinic anhydride
ME507534
-
C19524
5.693714
-
Succinic anhydride -1.8392501
Succinic anhydride
ME508095
-
C19524
1.8392501
-
Sucralose
Sucralose
ME506772
-
C12285
1.42672
-
Sucralose -1.429
Sucralose
ME510400
-
C12285
1.429
-
Sudan Red 7B
-
ME506997
-
C19529
0.9518667
-
Sulfacetamide
Sulfacetamide
ME508391
-
C08051
2.764
-
Sulfacetamide -2.8153334
Sulfacetamide
ME508392
-
C08051
2.8153334
-
Sulfacetamide -2.921
Sulfacetamide
ME507852
-
C08051
2.921
-
Sulfamerazine
Sulfamerazine
ME508393
-
-
2.8233335
-
Sulfanilamide
Sulfanilamide
ME509246
-
C07458
2.758
-
Sulfaphenazole
Sulfaphenazole
ME506681
-
D01954
1.0267502
-
Sulfaphenazole -1.0698388
Sulfaphenazole
ME506700
-
D01954
1.0698388
-
Sulfentrazone
Sulfentrazone
ME510401
-
C11125
1.429
-
Sulfinpyrazone sulfone
-
ME510402
-
-
2.203
-
Sulfoglycolithocholate
Sulfoglycolithocholic acid
ME508096
-
C11301
3.7887502
-
Sulfuric acid
-
ME507535
-
C00059
7.6512856
-
Sulfuric acid -2.122
TG 16:0_18:1_18:1
ME510403
-
C00059
2.122
-
Sulfuric acid -7.742
TG 16:0_18:1_18:1
ME510404
-
C00059
7.742
-
Sulindac sulfone glucuronide
-
ME510405
-
-
3.26
-
Sunitinib
-
ME510406
-
D06402
0.912
-
Surinamensin
-
ME510407
-
C10888
1.203
-
(+)-Syringaresinol
-
ME507859
-
C10889
0.89775
-
Syringin
Syringin
ME510408
-
C01533
2.407
-
Syringolin A
-
ME509247
-
C15701
3.674
-
Syringomethyl Reserpate
-
ME510409
-
-
1.429
-
Tafluprost (free acid)
-
ME510410
-
-
1.116
-
Tagitinin F
-
ME508097
-
C09554
2.4457498
-
Talampicillin
Talampicillin
ME506773
-
C11751
0.97516
-
Tartrazine
-
ME508394
-
C07574
1.427
-
Taurine
Taurine
ME507436
-
C00245
5.4113755
-
Taurochenodeoxycholic acid 7-sulfate
Taurochenodeoxycholic acid 7-sulfate
ME510411
-
-
3.553
-
Taurodeoxycholic acid
Taurodeoxycholic acid
ME508098
-
-
3.0785
-
Taurodeoxycholic acid -3.3646
Taurodeoxycholic acid
ME507853
-
-
3.3646
-
Tauropine
Tauropine
ME508099
-
C01616
2.869
-
Tauroursocholic acid
Tauroursocholic acid
ME508100
-
-
4.24
-
Tauroursocholic acid -1.6835
Tauroursocholic acid
ME509248
-
-
1.6835
-
Tauroursocholic acid -3.6415
Tauroursocholic acid
ME509249
-
-
3.6415
-
Tauroursocholic acid -3.87
Tauroursocholic acid
ME510412
-
-
3.87
-
Tauroursocholic acid -3.912
Tauroursocholic acid
ME510413
-
-
3.912
-
Tauroursocholic acid -4.2625
Tauroursocholic acid
ME509250
-
-
4.2625
-
Tauroursocholic acid -4.342
Tauroursocholic acid
ME508101
-
-
4.342
-
Tauroursocholic acid -4.4245
Tauroursocholic acid
ME509251
-
-
4.4245
-
Tecnazene
Tecnazene
ME509252
-
C18897
7.646
-
Teniposide
Teniposide
ME506743
-
C11153
1.1642592
-
Tenovin-6
-
ME509253
-
-
1.1565
-
Tephrowatsin B
-
ME509254
-
-
1.3245001
-
Terbacil
-
ME510414
-
C10963
6.05
-
Terbinafine metabolite glucuronide
-
ME509255
-
-
1.4844999
-
Testosterone sulfate
Testosterone sulfate
ME506898
-
C00535
0.90100014
-
Testosterone sulfate -0.9498889
Testosterone sulfate
ME507337
-
C00535
0.9498889
-
Tetradecyl sulfate
-
ME506744
-
D06882
0.8254815
-
Tetradecyl sulfate -0.85424995
-
ME508102
-
D06882
0.85424995
-
Tetragastrin
Tetragastrin
ME510415
-
-
2.12
-
Tetranor-PGF1alpha
Tetranor-PGF1alpha
ME507044
-
-
1.2264286
-
Thalsimine
-
ME510416
-
C09661
2.126
-
Theophylline
Theophylline
ME510417
-
C07130
1.514
-
Thiamethoxam
-
ME509256
-
C18513
1.0174999
-
Thiarubrine B
-
ME508103
-
C08462
1.1265
-
Thioacetate
Ethanethioic S-acid
ME508395
-
C01857
1.0303334
-
Thiobenzamide S,S-dioxide
-
ME506728
-
C16285
1.5110358
-
Thiodiacetic acid
Thiodiacetic acid
ME506854
-
C14872
1.2156999
-
Thiodiacetic acid -1.3479445
Thiodiacetic acid
ME506899
-
C14872
1.3479445
-
Thiodiacetic acid -1.6822501
Thiodiacetic acid
ME508104
-
C14872
1.6822501
-
Thiodiacetic acid -1.7196001
Thiodiacetic acid
ME507271
-
C14872
1.7196001
-
Thiodiacetic acid -3.144
Thiodiacetic acid
ME510418
-
C14872
3.144
-
Thiodiacetic acid sulfoxide
-
ME506713
-
C14873
1.0863667
-
Thiodiacetic acid sulfoxide -1.1063572
-
ME507045
-
C14873
1.1063572
-
Thiodiacetic acid sulfoxide -1.2115927
-
ME506745
-
C14873
1.2115927
-
Thiodiacetic acid sulfoxide -1.4025
-
ME507146
-
C14873
1.4025
-
Thiodiacetic acid sulfoxide -1.5762222
-
ME507338
-
C14873
1.5762222
-
Thiodiacetic acid sulfoxide -1.7444
-
ME507854
-
C14873
1.7444
-
Thiodiacetic acid sulfoxide -2.2310998
-
ME507272
-
C14873
2.2310998
-
Thiodiacetic acid sulfoxide -2.3166153
-
ME507094
-
C14873
2.3166153
-
Thiodiacetic acid sulfoxide -2.327
-
ME510419
-
C14873
2.327
-
Thiodiacetic acid sulfoxide -2.36225
-
ME508105
-
C14873
2.36225
-
Thiodiacetic acid sulfoxide -2.7902145
-
ME507046
-
C14873
2.7902145
-
Thiodiacetic acid sulfoxide -2.8123333
-
ME508396
-
C14873
2.8123333
-
Thionazin
-
ME510420
-
C19036
1.641
-
Thionazin -1.458
-
ME510421
-
C19036
1.458
-
Thiopurine
Mercaptopurine
ME509257
-
C01756
1.6245
-
Thiopurine -1.781
Mercaptopurine
ME510422
-
C01756
1.781
-
Thioridazine-2-sulfone-5-sulfoxide
-
ME510423
-
-
2.436
-
Thioridazine 5-sulfoxide
-
ME507536
-
-
2.4094284
-
Thiosulfic acid
-
ME510424
-
-
5.451
-
Thiosulfic acid -4.409
-
ME510425
-
-
4.409
-
Thiosulfic acid -5.493
-
ME510426
-
-
5.493
-
Thonningianin B
-
ME506714
-
-
0.9567
-
Thonningianin B -1.1073637
-
ME506821
-
-
1.1073637
-
Thonningianin B -1.174
-
ME509258
-
-
1.174
-
Thr Cys Arg
Thr-Cys-Arg
ME507437
-
-
2.089125
-
Thr Gly Cys
Thr-Gly-Cys
ME510427
-
-
3.008
-
Thr Leu
Thr-Leu
ME509259
-
-
6.259
-
Thr Leu -6.51
Thr-Leu
ME510428
-
-
6.51
-
Thr Met Thr
Thr-Met-Thr
ME506800
-
-
0.96013033
-
Thr-Phe4Cl-OH
-
ME510429
-
-
0.892
-
Thymine
Thymine
ME510430
-
C00178
1.42
-
Tiapride
Tiapride
ME509260
-
-
2.172
-
Todralazine
-
ME508397
-
-
6.0606666
-
Tolylfluanid
-
ME507679
-
C18899
1.104
-
Tolylfluanid -2.33
-
ME510431
-
C18899
2.33
-
Tos-Arg-CH2Cl
-
ME510432
-
C02087
6.054
-
Totarol-19-Carboxylic Acid
-
ME509261
-
-
1.1665001
-
Toxoflavine
-
ME508398
-
C16789
2.4176667
-
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane
-
ME508106
-
-
2.1535
-
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane ...
-
ME508399
-
-
2.397
-
trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro...
-
ME507680
-
C19232
2.4961667
-
Transfluthrin
Transfluthrin
ME509262
-
C13410
1.497
-
Transfluthrin -1.529857
Transfluthrin
ME507537
-
C13410
1.529857
-
?,?-Trehalose
Trehalose
ME507278
-
C01083
5.7026663
-
?,?-Trehalose -6.0528526
Trehalose
ME506729
-
C01083
6.0528526
-
Triacetin
Triacetin
ME507339
-
-
6.0467777
-
Triazolidinonethione
-
ME510433
-
C10975
3.109
-
TRIBOA
TRIBOA
ME508400
-
C15771
0.92
-
TRIBOA -5.6965
TRIBOA
ME509263
-
C15771
5.6965
-
Tributyrin
TG 4:0/4:0/4:0
ME507198
-
C13870
2.672364
-
Trichlormethine
-
ME508107
-
-
1.4777501
-
Trichostatin A
-
ME509264
-
-
1.3645
-
Tricyclodehydroisohumulone
-
ME507095
-
C10723
1.3200771
-
Tridesacetoxykhivorin
-
ME507855
-
-
1.3676001
-
Tridiphane
-
ME509265
-
C19130
4.014
-
Tridiphane -7.665
-
ME510434
-
C19130
7.665
-
Triflumizole
-
ME509266
-
C18493
1.7135
-
TRIM
-
ME507273
-
-
1.3096001
-
Trimeprazine sulfoxide
-
ME510435
-
-
2.388
-
Triphenyl phosphate
Triphenyl phosphate
ME510436
-
C14235
2.412
-
Triphyllin A
-
ME510437
-
-
6.073
-
Tris(butoxyethyl)phosphate
-
ME507856
-
C14446
1.2304
-
Triterpenoid
-
ME507047
-
-
0.9507143
-
Triterpenoid -0.9165
-
ME508108
-
-
0.9165
-
Tropolone
-
ME506715
-
C15474
1.1207664
-
Tropolone -1.0264
-
ME506998
-
C15474
1.0264
-
Trp His His
Trp-His-His
ME510438
-
-
2.54
-
Trp-HoPhe-OH
-
ME508402
-
-
3.4689999
-
Trp-HoPhe-OH -1.404
-
ME510441
-
-
1.404
-
Trp Met Leu
Trp-Met-Leu
ME507438
-
-
1.9722501
-
Trp Met Leu -1.485
Trp-Met-Leu
ME510439
-
-
1.485
-
Trp-Met-OH
-
ME510442
-
-
1.112
-
Trp Trp Asp
Trp-Trp-Asp
ME509267
-
-
1.51
-
Trp Tyr Phe
Trp-Tyr-Phe
ME507096
-
-
1.3397692
-
Trp Tyr Phe -1.2625
Trp-Tyr-Phe
ME509268
-
-
1.2625
-
Trp Val Ala
Trp-Val-Ala
ME508401
-
-
1.5923333
-
Trp Val Val
Trp-Val-Val
ME510440
-
-
1.219
-
Tuliposide A
Tuliposide A
ME510443
-
C08561
2.565
-
Tutin
Tutin
ME508109
-
C09570
1.3905
-
TXB2
TXB2
ME508403
-
C05963
1.3716666
-
Tylosin
Tylosin
ME509269
-
C01457
1.0525
-
Tylosin -1.0955
Tylosin
ME509270
-
C01457
1.0955
-
Tyramine glucuronide
Coenzyme Q10
ME510445
-
C03033
2.385
-
Tyramine-O-sulfate
Tyramine-O-sulfate
ME506753
-
-
1.5035771
-
Tyramine-O-sulfate -3.109
Tyramine-O-sulfate
ME510446
-
-
3.109
-
Tyrindoxyl sulfate
-
ME509274
-
C17086
3.091
-
TyrMe-Nap-OH
-
ME509275
-
-
1.4635
-
Tyr-Met-OH
-
ME509276
-
-
2.126
-
Tyr Phe Gln
Tyr-Phe-Gln
ME507199
-
-
1.1166364
-
Tyr Thr Lys
Tyr-Thr-Lys
ME507200
-
-
1.2562728
-
Tyr Tyr Phe
Tyr-Tyr-Phe
ME509271
-
-
1.6805
-
Tyr Tyr Pro
Tyr-Tyr-Pro
ME510444
-
-
6.075
-
Tyr Tyr Pro -2.411
Tyr-Tyr-Pro
ME509272
-
-
2.411
-
Tyr Tyr Trp
Tyr-Tyr-Trp
ME508404
-
-
1.0716667
-
Tyr Tyr Trp -1.5255
Tyr-Tyr-Trp
ME509273
-
-
1.5255
-
Tyr Tyr Trp -1.6867499
Tyr-Tyr-Trp
ME507439
-
-
1.6867499
-
Tyr Tyr Trp -1.8371667
Tyr-Tyr-Trp
ME507681
-
-
1.8371667
-
Tyr Tyr Tyr
Tyr-Tyr-Tyr
ME508405
-
-
1.1079999
-
Ubiquinone
-
ME510447
-
C00399
1.392
-
UDP-4-dehydro-6-deoxy-D-glucose
UDP-4-dehydro-6-deoxy-D-glucose
ME510448
-
C04089
1.42
-
UDP-alpha-D-galacto-1,4-furanose
-
ME509277
-
C03733
0.95
-
Undecanedioic acid
Undecanedioic acid
ME507538
-
-
1.2061428
-
Unoprostone isopropyl ester
-
ME507340
-
-
1.381
-
Unoprostone isopropyl ester -1.4015
-
ME509278
-
-
1.4015
-
Unoprostone isopropyl ester -1.498
-
ME510449
-
-
1.498
-
Unoprostone isopropyl ester -1.534
-
ME510450
-
-
1.534
-
Uplandicine
Uplandicine
ME509279
-
C10412
1.158
-
Uracil mustard
-
ME508406
-
C11686
1.1673334
-
Uracil mustard -1.5534999
-
ME509280
-
C11686
1.5534999
-
URB447
-
ME508407
-
-
6.0559998
-
Urdamycin B
-
ME510451
-
C12406
1.521
-
Urothion
-
ME506855
-
-
2.1663501
-
Urothion -2.154
-
ME510452
-
-
2.154
-
Ursodeoxycholic acid 3-sulfate
Ursodeoxycholic acid 3-sulfate
ME510453
-
-
1.247
-
Ursodeoxycholic acid 3-sulfate -1.401
Ursodeoxycholic acid 3-sulfate
ME510454
-
-
1.401
-
Usambarensine
-
ME509281
-
C09249
0.923
-
Valacyclovir
Valaciclovir
ME509283
-
C07184
2.671
-
Val Asn Asp
Val-Asn-Asp
ME509282
-
-
1.3345
-
Valdecoxib
Valdecoxib
ME510457
-
-
2.16
-
Valerosidatum
-
ME507441
-
C17068
1.68875
-
Valerosidatum -1.8356667
-
ME508409
-
C17068
1.8356667
-
Val His Trp
Val-His-Trp
ME507274
-
-
1.2134
-
Valinopine
-
ME510458
-
C19976
6.053
-
Valiolone
Valiolone
ME510459
-
C12113
2.557
-
Val Leu
Val-Leu
ME507440
-
-
6.05375
-
Val-Phe-OH
-
ME507857
-
-
2.414
-
Val Trp Gly
Val-Trp-Gly
ME510455
-
-
1.707
-
Val Trp Gly -2.168
Val-Trp-Gly
ME510456
-
-
2.168
-
Val Val
Val-Val
ME508408
-
-
6.19
-
Velloquercetin
Velloquercetin
ME506801
-
C10194
6.058043
-
(+)-Veraguensin
-
ME507445
-
C10892
0.95800006
-
Vernodalol
-
ME509284
-
C09577
1.3715
-
Verrucarin A
Verrucarin A
ME507682
-
C09746
1.1741667
-
Verteporfin
-
ME508410
-
-
1.0966667
-
Vinclozolin
Vinclozolin
ME510460
-
C10981
6.236
-
Vindoline
-
ME510461
-
C01626
2.193
-
Vinyl fluoride
-
ME506999
-
C19185
1.0272667
-
Volkenin
Volkenin
ME510462
-
C08344
2.396
-
W123
-
ME507442
-
-
1.398875
-
W123 -1.4343846
-
ME507097
-
-
1.4343846
-
Westiellamide
-
ME508110
-
C15739
1.2485
-
Wightin
-
ME507275
-
-
2.3999999
-
Wightin -2.09
-
ME510463
-
-
2.09
-
Wightin -2.4559999
-
ME509285
-
-
2.4559999
-
Xanthosine
Xanthosine
ME506802
-
C01762
2.3473046
-
Xanthosine -2.0793333
Xanthosine
ME508411
-
C01762
2.0793333
-
Xanthosine -2.3908572
Xanthosine
ME507539
-
C01762
2.3908572
-
Xanthosine -2.994909
Xanthosine
ME507201
-
C01762
2.994909
-
XAV939
-
ME506682
-
-
1.085625
-
Xipamide
-
ME509286
-
-
2.79
-
Xipamide O-glucuronide
-
ME509287
-
-
1.0745001
-
Xylobiose
Xylobiose
ME510464
-
C01630
1.981
-
Zapotinin
-
ME507341
-
-
1.7125555
-
Zapotinin -2.4034376
-
ME506966
-
-
2.4034376
-
zeleplon
-
ME510465
-
D00530
0.834
-
Zindoxifene
-
ME507098
-
C14745
0.91738456
-
Zingerone
Zingerone
ME507099
-
C17497
1.1152307
-
Zingerone -1.1661363
Zingerone
ME506822
-
C17497
1.1661363
-
Zinnolide
-
ME508412
-
C09983
1.441
-
Zolazepam
-
ME507683
-
-
1.1993333
-
Zygadenine
Zygadenine
ME507443
-
C10831
1.68525
-
Zygadenine -1.523
Zygadenine
ME510466
-
C10831
1.523
-
Zygadenine -1.791
Zygadenine
ME508413
-
C10831
1.791
-
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