Data for (Study ST002094)

(Analysis AN003421)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2
10,11-Dihydro-10,11-dihydroxyprotriptyline	0.0005	1.7497
10,12-Tetradecadiene-4,6-diynoic acid, (E,E)-	1.3417	0.7437
10-[3]-ladderane-decanoic acid	1.0000	1.0000
10-(beta-Dimethylaminopropionyl)phenothiazine	1.0461	0.9654
10-Carboxy-13-deoxycarminomycin	1.0000	1.0000
10-Deacetyl-2-debenzoylbaccatin III	0.8470	1.1148
10-Deacetyl-2-debenzoylbaccatin III +1.1528888	1.3736	0.7198
10-Desacetyltaxuyunnanin C	1.0000	1.0000
10-dodecynoic acid	1.0000	1.0000
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	1.0000	1.0000
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.1	1.0000	1.0000
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.286	0.0005	1.7497
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +1.513	1.0000	1.0000
10-Hydroxymorroniside	2.3328	0.0004
10-Hydroxymorroniside +6.0585003	1.0000	1.0000
10-keto stearic acid	1.0761	0.9429
10-keto stearic acid +1.135	1.0000	1.0000
10-nitro-9E-octadecenoic acid	1.0000	1.0000
10-nitro-9E-octadecenoic acid +1.10425	2.3323	0.0007
10-nitro,9Z,12Z-octadecadienoic acid	0.0006	1.7496
10-oxo-nonadecanoic acid	1.0000	1.0000
(10S)-Juvenile hormone III acid diol	1.0000	1.0000
(10S)-Juvenile hormone III acid diol +1.689	1.0000	1.0000
(10S)-Juvenile hormone III diol	0.0007	1.7495
11,12-dihydroxy stearic acid	0.0013	1.7490
1,1,2-Triphenylpropane	1.2699	0.7976
1,1,2-Triphenylpropane +1.262	0.0008	1.7494
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-one	1.0000	1.0000
11-beta-hydroxyandrosterone-3-glucuronide	2.3325	0.0006
1,1-Bis(4-hydroxyphenyl)ethane	1.0000	1.0000
11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chloromethyl)-1?,25-dihydroxycholecalciferol	0.0013	1.7490
1,1-Diphenyl-2-(4-methoxyphenyl)propene	0.0002	1.7499
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.267	1.0000	1.0000
1,1-Diphenyl-2-(4-methoxyphenyl)propene +6.3176665	1.0000	1.0000
11E,13-Tetradecadienyl acetate	1.0000	1.0000
11H-Benz[bc]aceanthrylene	1.0000	1.0000
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	1.0000	1.0000
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.1934286	0.0008	1.7494
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3325	0.0005	1.7496
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.3794999	0.0004	1.7497
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +1.6285	0.0008	1.7494
11-Ketoetiocholanolone	0.0001	1.7500
11-Ketoetiocholanolone +1.17	1.0000	1.0000
11-Ketoetiocholanolone +1.264	1.0000	1.0000
11-lauroleic acid	0.0005	1.7497
11-lauroleic acid +1.2702	0.0004	1.7497
11-lauroleic acid +1.42	0.0008	1.7494
11-Methyl-9Z,12-tridecadienyl acetate	1.4485	0.6636
11-Methyl-9Z,12-tridecadienyl acetate +1.175	1.0000	1.0000
11-Methyl-9Z,12-tridecadienyl acetate +1.222	1.0000	1.0000
11?-Prostaglandin F1?	2.3326	0.0006
11(R)-HETE	0.0011	1.7492
11(S)-HEPE	1.0000	1.0000
11(S)-HEPE +1.099	1.0000	1.0000
(11Z)-8,18-methano-retinal	1.0000	1.0000
(11Z)-8,18-propano-retinal	1.0000	1.0000
11Z-Eicosenal	1.0504	0.9622
11Z-Eicosenal +6.7185	1.0000	1.0000
11Z-tetradecenoyl-CoA	1.5268	0.6049
12,13-DiHOME	0.0004	1.7497
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	2.3325	0.0006
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid	0.0011	1.7492
12-amino-octadecanoic acid	1.4472	0.6646
1,2-Didecanoyl-sn-glycerol	1.0000	1.0000
1^,2^-Dihydrochlorobactene	1.0000	1.0000
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene	0.8416	1.1188
1,2-Epoxybutane	1.0000	1.0000
1,2-Epoxybutane +1.281	2.3324	0.0007
1,2-Epoxypropane	0.7228	1.2079
1,2-Epoxypropane +1.1515	1.0000	1.0000
12-HETE-GABA	0.9831	1.0127
12?-Hydroxy-3,6-dioxo-5?-cholan-24-oic Acid	1.0000	1.0000
12-Hydroxybenzo[a]pyrene	0.0004	1.7497
12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-Ol	0.0005	1.7496
12-methyl-10-oxo-tridecanoic acid	1.0000	1.0000
1,2-O-Diacetylzephyranthine	1.0000	1.0000
1,2-O-Diacetylzephyranthine +6.27975	1.0000	1.0000
12-oxo-10Z-octadecenoic acid	1.5972	0.5521
12-oxo-10Z-octadecenoic acid +1.092	1.0991	0.9256
12-oxo-10Z-octadecenoic acid +1.3195	1.0000	1.0000
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid	1.1693	0.8730
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]	1.0000	1.0000
12R-acetoxy-7Z-punaglandin 3	1.0000	1.0000
12R-HETrE	0.0013	1.7490
12S-acetoxy-punaglandin 5	2.3323	0.0008
12S-acetoxy-punaglandin 5 +1.088	1.0000	1.0000
12S-acetoxy-punaglandin 5 +1.128	1.0000	1.0000
12S-hydroxy-16-heptadecynoic acid	2.3319	0.0011
13,14-dihydro-15-keto Prostaglandin J2	0.0002	1.7498
13,14-dihydro-15-keto Prostaglandin J2 +1.1516666	0.0007	1.7494
13,14-epoxy Fluprostenol Isopropyl Ester	0.0010	1.7493
13,17-octadecadiynoic acid	0.0009	1.7493
1?,3?,4?-p-menthane-3,8-diol	1.0000	1.0000
1,3,5-Trimethoxybenzene	2.3317	0.0013
1-(3-Aminopropyl)-4-aminobutanal	2.2019	0.0985
1-(3-Aminopropyl)-4-aminobutanal +2.719	1.0000	1.0000
1-(3-Aminopropyl)-4-aminobutanal +6.0804996	2.3333	0.0001
1,3-Butadiene	0.9787	1.0160
13-Deoxytedanolide	1.0000	1.0000
13-Deoxytedanolide +1.468	1.0000	1.0000
13-Deoxytedanolide +1.72	1.0000	1.0000
13-Docosenamide	0.9975	1.0019
13-Docosenamide +1.1372187	1.5553	0.5835
13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one	1.0000	1.0000
1(3)-glyceryl-PGH2	1.0000	1.0000
13H-Dibenzo[a,g]fluorene	0.0001	1.7500
13-hydroxy-docosanoic acid	1.0000	1.0000
13-tetradecen-2,4-diyn-1-ol	1.0000	1.0000
13Z-octadecenoic acid	0.0005	1.7496
1400W	1.0000	1.0000
1,4^-Bipiperidine-1^-carboxylic acid	1.4966	0.6275
1,4-Dioxane	0.0006	1.7496
14E-Octadecenal	1.0000	1.0000
14-Fluoro-11Z-tetradecenyl acetate	0.7054	1.2210
14-Fluoro-11Z-tetradecenyl acetate +1.0993912	0.6496	1.2628
14R-hydroxy-11Z-eicosenoic acid	1.0000	1.0000
15-epi-15-A2c-IsoP	1.0000	1.0000
(±)15-HEDE	1.0000	1.0000
15-HETE-G	1.0000	1.0000
15-HETE-GABA	1.0000	1.0000
1-(5-Hydroxy-2-pyrimidinyl)piperazine	0.0002	1.7499
1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.067	1.0000	1.0000
1,5-Naphthalenediamine	1.0000	1.0000
1,5-Naphthalenediamine +1.5698	0.8186	1.1360
15-octadecene-9,11,13-triynoic acid	0.0005	1.7496
15-octadecene-9,11,13-triynoic acid +1.3425	2.3327	0.0005
15-oxo-18Z-tetracosenoic acid	1.0000	1.0000
15-Oxo-5?-cholan-24-oic Acid	0.0001	1.7499
15-Oxo-5?-cholan-24-oic Acid +1.051	1.0000	1.0000
15-Oxo-5?-cholan-24-oic Acid +1.256	2.3318	0.0011
15-Oxo-5?-cholan-24-oic Acid +1.336	1.5871	0.5597
15(R)-15-methyl Prostaglandin A2	1.1970	0.8523
15(R)-17-phenyl trinor PGF2? isopropyl ester	1.0000	1.0000
15R-PGE2 methyl ester, 15-acetate	1.0000	1.0000
15(S)-HETE-biotin	1.0000	1.0000
15(S)-HETE-biotin +4.476	1.0000	1.0000
15(S)-Latanoprost	1.0000	1.0000
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester	1.0000	1.0000
16-Feruloyloxypalmitate	1.0000	1.0000
16-Feruloyloxypalmitate +1.3405	1.0000	1.0000
16-fluoro-hexadecanoic acid	1.0000	1.0000
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	1.0000	1.0000
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	0.0003	1.7498
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one +1.125	1.0000	1.0000
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	0.0002	1.7498
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one	1.9436	0.2923
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one +1.1287777	1.0149	0.9888
17beta-Methylestra-1,3,5(10)-trien-3-ol	0.0012	1.7491
17beta-Methylestra-1,3,5(10)-trien-3-ol +4.5179996	2.3322	0.0008
17beta-Methylestra-1,3,5(10)-trien-3-ol +7.948	1.0000	1.0000
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	1.0000	1.0000
1,7-Dihydroxytacrine	0.0012	1.7491
17-Epiestriol	1.0000	1.0000
17-Epiestriol +6.6743994	1.0000	1.0000
17-hydroxyandrostane-3-glucuronide	1.0000	1.0000
17-hydroxyandrostane-3-glucuronide +2.4515	2.3329	0.0003
17-oxo-20Z-hexacosenoic acid	1.0000	1.0000
17-phenyl trinor PGF2? cyclohexyl amide	1.0000	1.0000
17-phenyl trinor Prostaglandin E2 serinol amide	1.0054	0.9959
1,8-Diazacyclotetradecane-2,9-dione	0.0004	1.7497
1,8-Diazacyclotetradecane-2,9-dione +5.534	1.0000	1.0000
1,8-Diazacyclotetradecane-2,9-dione +6.753293	1.3625	0.7281
18-hydroxy-9R,10S-epoxy-stearic acid	1.7204	0.4597
18-hydroxy-9R,10S-epoxy-stearic acid +1.2876667	1.0000	1.0000
1,9-Dimethyluric acid	1.0000	1.0000
19-methyl-heneicosanoic acid	0.7878	1.1591
19-oxo-22Z-octacosenoic acid	1.0000	1.0000
19-Oxo-9-cis-retinoic acid	0.0010	1.7493
19(R)-hydroxy-PGB2	0.0014	1.7490
1a,1b-dihomo-PGE1	1.0000	1.0000
1a,1b-dihomo-PGE1 +1.1812857	1.0000	1.0000
1a,1b-dihomo-PGE1 +1.338	1.0000	1.0000
1-amino-3,3-diethoxypropane	1.0000	1.0000
1-Aminocyclohexanecarboxylic acid	0.8867	1.0850
1-Aminocyclohexanecarboxylic acid +1.9605	1.0000	1.0000
1-Aminocyclohexanecarboxylic acid +4.9695625	2.0383	0.2213
1-Aminocyclohexanecarboxylic acid +5.130333	2.3331	0.0002
1-Aminocyclohexanecarboxylic acid +5.94425	0.0002	1.7499
1-Aminocyclohexanecarboxylic acid +6.065	1.0000	1.0000
1-Aminocyclohexanecarboxylic acid +7.973	1.0000	1.0000
1-Aminocyclohexanecarboxylic acid +8.2985	2.3329	0.0003
1-Benzyl-1,2,3,4-tetrahydroisoquinoline	1.0000	1.0000
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one	0.0003	1.7498
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	0.0009	1.7493
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +2.863	1.0000	1.0000
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +3.215	1.0000	1.0000
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	1.0000	1.0000
1-Fluorocyclohexadiene-cis,cis-1,2-diol	0.0009	1.7493
1-Hexadecylamine	0.8690	1.0983
1-Hexadecylamine +3.8715	1.0000	1.0000
1-Hexadecylamine +4.050226	0.9269	1.0548
1-Hexen-1-ol	1.0000	1.0000
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	1.0000	1.0000
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +3.01	1.0000	1.0000
1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide	1.0000	1.0000
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide	1.0000	1.0000
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +4.196	1.0000	1.0000
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +6.515	1.0000	1.0000
1-Methylhypoxanthine	1.4116	0.6913
1-Methylhypoxanthine +2.371	1.0000	1.0000
1-Methylhypoxanthine +2.587	1.0000	1.0000
1-Methylhypoxanthine +2.74	1.0000	1.0000
1-Methylhypoxanthine +3.0830002	0.0002	1.7498
1-Naphthylamine	2.1189	0.1608
1-Naphthylamine +1.528	1.0000	1.0000
1-NBD-decanoyl-2-decanoyl-sn-Glycerol	1.0000	1.0000
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.251	1.0000	1.0000
1-NBD-decanoyl-2-decanoyl-sn-Glycerol +3.287	1.0000	1.0000
1-Nitro-5,6-dihydroxy-dihydronaphthalene	1.0000	1.0000
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.6002351	1.4808	0.6394
1-Nitro-5,6-dihydroxy-dihydronaphthalene +1.8775	1.0000	1.0000
1-Nitro-5,6-dihydroxy-dihydronaphthalene +2.098	1.0000	1.0000
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol	1.0000	1.0000
1-O-alpha-D-glucopyranosyl-1,2-eicosandiol	1.0000	1.0000
1-Octadecanamine	0.9535	1.0349
1-Octadecanamine +3.8815	1.0000	1.0000
1-Phenylbiguanide	1.2248	0.8314
1-Phenylbiguanide +6.426	1.0000	1.0000
1-Pyrroline	1.1328	0.9004
1-Pyrroline +5.592	1.0000	1.0000
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	0.6119	1.2911
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol	2.3330	0.0003
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid	1.7202	0.4598
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.1285	1.0000	1.0000
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +1.657	1.0000	1.0000
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +4.813	1.0000	1.0000
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid	1.0000	1.0000
20-HETE-d6	2.3323	0.0008
2-(1-Aziridinyl)ethanol	0.9713	1.0215
2-(1-Aziridinyl)ethanol +5.599	1.0000	1.0000
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid	0.5437	1.3422
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.34	1.0000	1.0000
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.838182	2.1190	0.1607
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +1.99	1.0000	1.0000
2,3,3-Triphenylacrylonitrile	0.0000	1.7500
2,3,3-Triphenylacrylonitrile +8.0605	0.0000	1.7500
2,3,5-Trimethacarb	1.0300	0.9775
2,3,5-Trimethacarb +5.9592	1.0000	1.0000
2,3,5-Trimethacarb +6.6106663	1.0000	1.0000
2,3,5-Trimethacarb +6.6637497	1.0000	1.0000
2,3,5-Trimethacarb +6.914	1.0000	1.0000
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid	1.0000	1.0000
2,3-Dihydroxynaphthalene	1.0000	1.0000
2,3-Dihydroxynaphthalene +1.494	1.0000	1.0000
2,3-Diketo-13,14-dihydro-PGF1a	1.0000	1.0000
2,3-Dinor-11b-PGF2?	0.0003	1.7498
2,3-dinor, 6-keto-PGF1?	1.1578	0.8816
2,3-Dinor-6-keto-prostaglandin F1 a	0.0007	1.7495
2,3-dinor Thromboxane B1	0.0002	1.7498
2,3-dinor Thromboxane B1 +1.07	1.0000	1.0000
2,3-dinor Thromboxane B1 +1.2349999	0.0004	1.7497
2,3-dinor Thromboxane B1 +1.2355	1.0000	1.0000
2,3-dinor Thromboxane B1 +1.391	0.0000	1.7500
2,3-Diphenyl-1-indanone	0.0001	1.7500
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	1.3281	0.7539
2-(3^-Methylthio)propylmalic acid	1.6586	0.5060
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol	0.0010	1.7493
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	1.0000	1.0000
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol	1.0000	1.0000
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol +1.8376665	2.3324	0.0007
2,4,6,8,10-dodecapentaenal	1.0000	1.0000
2,4,6-Trimethylacetophenone imine	0.8762	1.0928
2,4,7-tridecatrienal	1.2971	0.7772
2,4,7-tridecatrienal +1.107	1.0000	1.0000
2,4,7-tridecatrienal +1.464	1.0000	1.0000
2,4-Diamino-6,7-dimethoxyquinazoline	1.0000	1.0000
2,4-Diamino-6,7-dimethoxyquinazoline +2.2867498	1.0000	1.0000
2,4-Diamino-6,7-dimethoxyquinazoline +2.3823335	2.3332	0.0001
2,4-Diamino-6-hydroxylaminotoluene	0.7432	1.1926
2,4-Diaminoanisole	2.3327	0.0004
2,4-Diaminoanisole +3.5993335	1.8438	0.3672
2,4-Dichlorophenoxybutyric Acid, Methyl Ester	1.0000	1.0000
2,4-heptadienal	0.0010	1.7492
24-hydroxy-10Z-tetracosenoic acid	0.9337	1.0497
24-hydroxy-10Z-tetracosenoic acid +4.199875	1.2966	0.7775
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	0.0002	1.7498
2,4-octadienal	1.0000	1.0000
(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol	0.3285	1.5036
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol	2.3315	0.0014
2,5-Dichloro-4-oxohex-2-enedioate	1.0075	0.9944
2,5-Dichloro-4-oxohex-2-enedioate +5.9761996	1.0000	1.0000
2-(5^-Methylthio)pentylmalic acid	0.0011	1.7492
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine	1.0000	1.0000
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine +3.6455	1.0000	1.0000
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	0.6129	1.2903
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol +1.3365	0.0008	1.7494
2,5-undecadienal	1.0000	1.0000
2,5-undecadienal +6.441	1.0000	1.0000
2,5-undecadienal +7.4126	0.0004	1.7497
2,5-Xylidine	1.0000	1.0000
2,6-Diamino-4-nitrotoluene	2.3332	0.0001
2,6-Diamino-4-nitrotoluene +4.256	1.0000	1.0000
2,6-Dimethoxyphenol	1.0000	1.0000
26-Hydroxybrassinolide	0.9066	1.0700
26-Hydroxybrassinolide +1.102	2.3325	0.0006
26-Hydroxybrassinolide +1.263	1.0000	1.0000
26-Hydroxybrassinolide +1.3845	0.0009	1.7494
26-Hydroxybrassinolide +1.479	1.0000	1.0000
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	1.2783	0.7913
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +1.2	1.0000	1.0000
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +2.394625	2.3329	0.0004
27-Norcholestanehexol	0.0007	1.7495
27-Norcholestanehexol +1.256	1.0000	1.0000
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	1.0000	1.0000
2alpha-Methylpregn-4-ene-3,20-dione	1.0000	1.0000
2-amino-14,16-dimethyloctadecan-3-ol	0.4829	1.3878
2-amino-14,16-dimethyloctadecan-3-ol +1.1455	1.0000	1.0000
2-Amino-2-methyl-1-propanol	1.0838	0.9371
2-Amino-2-methyl-1-propanol +1.5301111	0.7987	1.1510
2-Amino-2-methyl-1-propanol +5.436218	1.0275	0.9794
2-Amino-2-methyl-1-propanol +5.7185	1.0000	1.0000
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	1.0000	1.0000
2-Amino-3-methyl-1-butanol	1.2049	0.8463
2-Amino-3-methyl-1-butanol +5.621	1.0000	1.0000
2-Amino-3-methyl-9H-pyrido[2,3-b]indole	1.0000	1.0000
2-amino-4-cyano-butanoic acid	1.0000	1.0000
2-amino-4^-hydroxy-Propiophenone	1.0000	1.0000
2-amino-4^-hydroxy-Propiophenone +2.058	0.0003	1.7498
2-amino-4^-hydroxy-Propiophenone +2.133	0.0004	1.7497
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate	1.0000	1.0000
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate +7.869	1.0000	1.0000
2-Amino-5-oxohexanoate	2.3333	0.0000
2-Amino-5-oxohexanoate +6.7047143	0.0010	1.7493
2-amino-8-oxo-9,10-epoxy-decanoic acid	1.0000	1.0000
2-amino-8-oxo-9,10-epoxy-decanoic acid +1.9973334	1.0000	1.0000
2-amino-8-oxo-9,10-epoxy-decanoic acid +2.8276	1.0000	1.0000
2-amino-tetradecanoic acid	1.0000	1.0000
2-amino-tetradecanoic acid +4.135	1.0000	1.0000
2-Benzimidazolylguanidine	0.5850	1.3112
2-Benzimidazolylguanidine +6.064	1.0000	1.0000
2-Benzimidazolylguanidine +7.707	1.0000	1.0000
2-(beta-D-Glucosyl)-sn-glycerol	1.0000	1.0000
2-(beta-D-Glucosyl)-sn-glycerol +3.324	1.0000	1.0000
2 -(Butylamido)-4-hydroxybutanoic acid	0.0005	1.7497
2-Chloro-1,4-naphthoquinone	1.0000	1.0000
2-Dehydro-3-deoxy-L-rhamnonate	1.0000	1.0000
2-demethylmenaquinone-8	0.0012	1.7491
2-Deoxy-2-dimethylamino-alpha-D-Glucose	0.0007	1.7495
2^-Deoxymugineic acid	1.8231	0.3827
2^-Deoxymugineic acid +6.1390667	2.1111	0.1667
2^-Deoxymugineic acid +6.6060004	1.0000	1.0000
2^-Deoxyuridine	1.4551	0.6586
2^-Deoxyuridine +7.0474167	2.3332	0.0001
2-(diethylamino)-4^-hydroxy-Propiophenone	1.0000	1.0000
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	0.8162	1.1379
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +7.501401	0.4012	1.4491
2E,4E,8E,10E-Dodecatetraenedioic acid	1.0000	1.0000
2E,4E,8Z,10E-dodecatetraenoic acid	2.3332	0.0001
2E,4E,8Z,10E-dodecatetraenoic acid +1.2168571	2.3329	0.0003
2E-hexenol	0.9775	1.0169
2E-hexenol +1.193	0.0005	1.7496
2-Ethyl-2-methyl-3-hydroxysuccinimide	1.7765	0.4176
2-Ethyl-2-methyl-3-hydroxysuccinimide +2.755	1.0000	1.0000
2-Ethyltoluene	2.3333	0.0001
2-glyceryl-PGF2?	0.0007	1.7495
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-	0.0002	1.7499
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +6.837	1.0000	1.0000
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- +7.1365004	1.0000	1.0000
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,11-tetrahydro-11-(4-piperidinylidene)-	1.0000	1.0000
2-Hexylglycerol	0.0001	1.7499
2-Hexynoic acid, 6-hydroxy-	1.0000	1.0000
2-Hexynoic acid, 6-hydroxy- +7.239529	2.3333	0.0000
2-Hexynoic acid, 6-hydroxy- +7.24475	1.0000	1.0000
2-Hexynoic acid, 6-hydroxy- +7.3039994	1.0000	1.0000
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-	1.0000	1.0000
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- +6.9265003	1.0000	1.0000
2^-Hydroxy-2,4^,6^-trimethoxychalcone	1.0849	0.9363
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone	0.7748	1.1689
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +1.5135	1.0000	1.0000
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +2.1165	0.0008	1.7494
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +2.384	2.3320	0.0010
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +2.398	1.0000	1.0000
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +2.598	2.3324	0.0007
2-hydroxy-4- (methylthio) butyric acid	0.7880	1.1590
2-hydroxy-4- (methylthio) butyric acid +3.388	1.0000	1.0000
2-Hydroxyethinylestradiol	1.7377	0.4468
2-Hydroxyfelbamate	1.5459	0.5905
2-Hydroxyfelbamate +6.2269998	2.3332	0.0001
2-hydroxy-heptadecanoic acid	1.0000	1.0000
2-Hydroxypyridine	1.0000	1.0000
2-Hydroxypyridine +4.9263334	1.0000	1.0000
2-Imino-4-methylpiperidine	0.0002	1.7499
2-Imino-4-methylpiperidine +4.792	2.3318	0.0012
2-Methoxyestradiol-17? 3-sulfate	1.0000	1.0000
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	1.0000	1.0000
2-methylbutanal oxime	0.0007	1.7495
2-methylbutanal oxime +5.7497144	1.0000	1.0000
2-methylbutanal oxime +8.576	1.0000	1.0000
2-Methylbutyroylcarnitine	2.3327	0.0005
2-Methylbutyroylcarnitine +1.2622858	1.6227	0.5329
2-methyl-hexanoic acid	1.4735	0.6448
2-Methylindoline	1.0000	1.0000
2-Methylpyridine	0.0004	1.7497
2-methyl-tridecanedioic acid	0.0002	1.7498
2-methyl-tridecanedioic acid +1.652	1.0000	1.0000
2-Naphthylalanine	1.0000	1.0000
(2-Naphthyl)methanol	1.0000	1.0000
(2-Naphthyl)methanol +1.33	0.0003	1.7498
2-(N-morpholino)ethanesulfonic acid	0.0003	1.7498
2-(N-morpholino)ethanesulfonic acid +2.368	1.0000	1.0000
2-(N-morpholino)ethanesulfonic acid +6.4026666	0.9215	1.0589
2-O-Acetylpseudolycorine	1.0000	1.0000
2-(Octylthio)ethanol	1.6333	0.5250
2-Oxo-6-methylthiohexanoic acid	1.0000	1.0000
2-oxo-docosanoic acid	0.9103	1.0672
2-oxo-docosanoic acid +1.0406001	1.0000	1.0000
2-oxo-docosanoic acid +3.9759285	0.7263	1.2053
2-oxo-docosanoic acid +4.238	1.0000	1.0000
2-oxo-docosanoic acid +4.595	1.0000	1.0000
2-oxo-dodecanoic acid	0.7451	1.1912
2-oxo-dodecanoic acid +1.188	2.3323	0.0008
2-oxo-dodecanoic acid +1.218	1.0000	1.0000
2-oxo-heneicosanoic acid	1.0101	0.9924
2-oxo-tetradecanoic acid	0.9349	1.0488
2-oxo-tetradecanoic acid +1.1325	0.0006	1.7495
2-Pentacosenoic acid, 2,4-dimethyl-	1.3371	0.7472
2-Phenylbutyramide	1.0000	1.0000
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)-	1.0000	1.0000
2-propyl-tridecanoic acid	1.0000	1.0000
2-Pyridylethanol	0.0003	1.7498
2-Pyridylethanol +5.4207144	1.0000	1.0000
2-Pyridylethanol +5.8159995	1.0000	1.0000
2-Pyridyl hydroxymethane sulfonic acid	1.5415	0.5939
2-Pyridyl hydroxymethane sulfonic acid +1.5120001	0.0008	1.7494
(2R)-2-Hydroxy-2-methylbutanenitrile	0.8478	1.1142
(2R)-2-Hydroxy-2-methylbutanenitrile +1.5564287	0.0001	1.7499
(2R)-2-Hydroxy-2-methylbutanenitrile +1.6293334	1.0000	1.0000
(2R)-2-Hydroxy-2-methylbutanenitrile +1.9082668	0.0000	1.7500
(2R)-2-Hydroxy-2-methylbutanenitrile +6.33775	2.3332	0.0001
(2R)-2-Hydroxy-2-methylbutanenitrile +6.4586663	1.0000	1.0000
(2R,4S)-2,4-Diaminopentanoate	0.0001	1.7499
2R-aminoheptanoic acid	0.3081	1.5189
2R-aminoheptanoic acid +1.449	1.0000	1.0000
2R-aminoheptanoic acid +1.8225	0.0003	1.7498
2R-aminoheptanoic acid +6.2402	0.0002	1.7499
2R-aminoheptanoic acid +6.4694	1.9131	0.3152
2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid	0.0004	1.7497
2R-hydroxy-pentadecanoic acid	0.0013	1.7490
(2S,5S)-trans-Carboxymethylproline	0.0005	1.7497
2-Succinylbenzoate	1.0000	1.0000
2-tetracosanamidoethanesulfonic acid	1.7538	0.4346
2-tridecene-4,7-diynal	1.1505	0.8871
2-undecenal	1.0000	1.0000
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	0.9551	1.0337
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.137	1.0000	1.0000
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.231	1.0000	1.0000
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.2441562	0.5507	1.3369
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.527	1.0000	1.0000
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.6843333	1.0000	1.0000
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +1.8395	1.0000	1.0000
3?,12?-Dihydroxy-5?-cholan-24-oic Acid	1.2847	0.7865
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid	2.3322	0.0008
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +1.326	1.0000	1.0000
3-(1-Carboxyvinyloxy)anthranilate	0.0010	1.7492
3-(1-Carboxyvinyloxy)anthranilate +2.365	1.0000	1.0000
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	2.3324	0.0007
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol +1.0705	1.0000	1.0000
3,3-Difluoro-5alpha-androstan-17beta-yl acetate	1.0000	1.0000
3,3^-Dimethoxybenzidine	1.0000	1.0000
3,3-Dimethyl-butanoic acid	2.3328	0.0004
3,4,5-Trimethoxybenzoic acid	1.0000	1.0000
3,4,5-Trimethoxytoluene	0.7041	1.2219
3,4,5-Trimethoxytoluene +2.46	1.0000	1.0000
3,4-Dihydrospheroidenone	1.0000	1.0000
3,4-Dihydroxy-3,4-dihydro-9-fluorenone	1.0000	1.0000
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	1.0000	1.0000
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate +1.228	1.0000	1.0000
3,5,7,2^,4^,5^-Hexamethoxyflavone	0.0009	1.7493
35-aminobacteriohopane-32,33,34-triol	0.7455	1.1909
3,5-dichlorosalicylic acid	1.0000	1.0000
3,5-dichlorosalicylic acid +7.2250004	2.3328	0.0004
3?,5?-Tetrahydronorethindrone glucuronide	1.0000	1.0000
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid	0.0013	1.7490
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +1.187	1.0000	1.0000
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid +4.138	1.0000	1.0000
3,6-Dideoxy-L-galactose	1.0000	1.0000
3,6-dioxo-decanoic acid	0.9322	1.0509
3,6-dioxo-decanoic acid +1.368	1.0000	1.0000
3,6-dioxo-decanoic acid +6.36	1.0000	1.0000
3,6-dioxo-decanoic acid +6.77	1.0000	1.0000
3-(6^-Methylthio)hexylmalic acid	1.4625	0.6531
3-(6^-Methylthio)hexylmalic acid +1.595	1.0000	1.0000
3-(6^-Methylthio)hexylmalic acid +2.389	2.3330	0.0002
(+)-3,7(11)-Acoradiene	0.0008	1.7494
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	1.7618	0.4287
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.3784286	1.0000	1.0000
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4499999	1.0000	1.0000
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.478	1.0000	1.0000
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.4879231	0.4743	1.3943
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +1.518	1.0000	1.0000
3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid	1.0000	1.0000
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid	1.0000	1.0000
3,7,23-Trioxo-5?-cholan-24-oic Acid	1.0000	1.0000
3-Acetamidopropanal	0.0001	1.7499
3-Acetamidopropanal +2.0993886	2.1276	0.1543
3-Acetamidopropanal +2.5709996	1.1808	0.8644
3-Acetamidopropanal +6.534374	0.9470	1.0398
3-Acetamidopropanal +6.6522503	1.0000	1.0000
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	2.3322	0.0009
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide +6.516	1.0000	1.0000
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid	1.0000	1.0000
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid	1.7471	0.4397
3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one	1.5958	0.5532
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid	1.0000	1.0000
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid +1.339	1.0000	1.0000
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	2.3332	0.0001
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.054	2.3327	0.0005
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +2.199	1.0000	1.0000
3-Amino-4-hydroxybenzoic acid	1.0000	1.0000
3-Aminobenzamide	0.7963	1.1528
3-Amino-L-Tyrosine	2.3329	0.0003
3-Amino-?-pinene	1.0763	0.9427
3-Aminoquinoline	0.0009	1.7494
?-3 Arachidonic Acid ethyl ester	1.0000	1.0000
3-Aza-A-homocholest-4a-en-4-one	2.3321	0.0009
3beta-Acetoxy-4-oplopanone	1.0000	1.0000
3-Buten-1-amine	1.3700	0.7225
3-Buten-1-amine +5.163	1.0000	1.0000
3-Buten-1-amine +5.4347005	1.0014	0.9989
3-Buten-1-amine +6.5351114	1.3586	0.7310
3-Butylidene-7-hydroxyphthalide	0.6419	1.2686
3-Dehydrocarnitine	0.8011	1.1492
3-Dehydrocarnitine +6.185	2.3325	0.0006
3-Dehydrocarnitine +6.4708	1.0000	1.0000
3-Dehydrocarnitine +6.7865	0.0001	1.7499
3-Dehydrocarnitine +6.873667	2.3330	0.0002
3-Deoxy-3-azido-25-hydroxyvitamin D3	2.3327	0.0005
3-Deoxyestradiol	2.3327	0.0004
3-Deoxyguanosine	2.3327	0.0005
3-Deoxyvitamin D3	1.0000	1.0000
3^-dihydroxyflurbiprofen	2.3331	0.0002
3-Epimacronine	0.0007	1.7495
3-Geranyl-4,2^,4^,6^-tetrahydroxy-5-prenyldihydrochalcone	2.3317	0.0012
3-Guanidinopropanoate	0.0002	1.7499
3-Guanidinopropanoate +6.677	1.0000	1.0000
3-heptenal	1.0000	1.0000
3-hexenal	1.0000	1.0000
3-hexenedial	0.0001	1.7499
3-hexenedial +2.2870002	1.0000	1.0000
3-hexenedial +2.3813334	2.3328	0.0004
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid	2.3325	0.0006
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.1826668	0.1571	1.6322
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +1.239	1.0000	1.0000
3-Hydroxy-1-indanone	0.0002	1.7499
3-Hydroxy-1-indanone +1.078	1.0000	1.0000
3?-Hydroxy-5?-chol-7-en-24-oic Acid	1.0000	1.0000
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid	1.2251	0.8312
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.2442415	0.5741	1.3194
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.246	1.0000	1.0000
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.467	1.0000	1.0000
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.5216666	1.0000	1.0000
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.6846249	0.0004	1.7497
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +1.8387144	2.3331	0.0002
3-Hydroxy-5-methylhex-4-enoyl-CoA	1.0000	1.0000
3-Hydroxyanthranilic acid	0.0003	1.7497
3-Hydroxybiphenyl	1.0000	1.0000
3-Hydroxybiphenyl +4.5870004	1.0000	1.0000
3-hydroxy-dodecanedioic acid	1.1730	0.8703
3-hydroxy-dodecanedioic acid +1.1628001	0.9582	1.0314
3-hydroxy-dodecanedioic acid +1.497	1.0000	1.0000
3-Hydroxyisovalerylcarnitine	0.3602	1.4798
3-Hydroxyisovalerylcarnitine +1.212	1.0000	1.0000
3-Hydroxyisovalerylcarnitine +1.3431001	0.9888	1.0084
(+)-3-hydroxy pelargonic acid	1.0231	0.9826
(+)-3-hydroxy pelargonic acid +4.8395	1.0000	1.0000
3-hydroxy-tetradecanedioic acid	1.0000	1.0000
3-hydroxy-tridecanoic acid	1.0000	1.0000
3-Indoleacetic Acid	1.0000	1.0000
3-Indolebutyric acid	1.0000	1.0000
3-Isopropylcatechol	2.3329	0.0003
3-ketosphingosine	0.9672	1.0246
3-Methoxyestra-1,3,5(10),16-tetraene	0.9106	1.0671
3-Methoxyestra-1,3,5(10),16-tetraene +1.501	0.0004	1.7497
3-methoxy Prostaglandin F1?	2.3322	0.0008
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol	1.0000	1.0000
3-Methylamino-1,2-propandiol	0.9297	1.0527
3-Methylamino-1,2-propandiol +6.059719	0.9441	1.0419
3-Methylamino-1,2-propandiol +6.5626197	1.1705	0.8722
3-Methylbutanamine	0.0001	1.7500
3-Methylbutanamine +4.68	1.0000	1.0000
3-Methylorsellinic Acid	2.3323	0.0008
3-Methylorsellinic Acid +2.2306666	1.0000	1.0000
3-Methylorsellinic Acid +4.6575	1.0000	1.0000
3-Methyluridine	1.0000	1.0000
3-(N-Nitrosomethylamino)propionitrile	0.1262	1.6554
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid	1.0000	1.0000
3-O-Methylisoetharine	0.0013	1.7490
3-O-Methylrimiterol	2.3321	0.0009
3-O-Methylrimiterol +6.508	1.0000	1.0000
3-O-Methylrimiterol +7.7005997	1.0563	0.9578
3-Oxo-5beta-chola-7,11-dien-24-oic Acid	1.0000	1.0000
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.1821666	0.0003	1.7498
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +1.47975	1.0000	1.0000
3-oxohexacosanoic acid	0.0014	1.7490
3-oxo-nonanoic acid	1.0000	1.0000
3-oxo-nonanoic acid +4.9768	1.0000	1.0000
3-oxo-nonanoic acid +6.1675	1.0000	1.0000
3-oxo-nonanoic acid +6.269	1.0000	1.0000
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime	1.0000	1.0000
3-oxo-tridecanoic acid	2.3330	0.0003
3-Phenylpropionaldoxim	1.0000	1.0000
(3-Phenylpropionyl)glycine methyl ester	0.0008	1.7494
3R-hydroxy-tetradecanoic acid	0.0002	1.7498
3R-hydroxy-tetradecanoic acid +1.247	0.0007	1.7495
3S-hydroxy-dodecanoic acid	0.0003	1.7498
3-tert-Butyl-5-methylcatechol	1.0000	1.0000
3-Vinylbacteriochlorophyllide d	1.0000	1.0000
(3Z)-Phytochromobilin	0.0006	1.7495
(3Z)-Phytochromobilin +1.17	0.0013	1.7490
4-(1-Ethyl-2-phenylbutyl)phenol	2.3327	0.0005
4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid	1.0000	1.0000
4,4^-Diaminostilbene	2.3329	0.0003
4,4^-Diaminostilbene +6.469	2.3329	0.0004
4,4^-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	1.0000	1.0000
4,4^-Sulfonyldiphenol	1.0000	1.0000
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	0.5383	1.3463
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +6.738333	1.0000	1.0000
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +7.599687	1.2068	0.8449
4,5^-Dimethylangelicin	1.0000	1.0000
4,5^-Dimethylangelicin +3.153	1.0000	1.0000
4,7,10,13,16,19-Docosahexaynoic acid	1.0000	1.0000
4,7-dioxo-octanoic acid	1.0576	0.9568
4,8 dimethylnonanoyl carnitine	0.0013	1.7490
4-Amino-1-piperidinecarboxylic acid	2.3331	0.0002
4-Amino-2-hydroxylamino-6-nitrotoluene	2.3320	0.0010
4-Amino-2-methyl-5-phosphomethylpyrimidine	0.9609	1.0293
4-Amino-2-nitrotoluene	0.5763	1.3177
4-Amino-2-nitrotoluene +2.29125	2.3333	0.0001
4-Amino-2-nitrotoluene +2.524	1.0000	1.0000
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	1.0000	1.0000
4-Aminobenzenesulfonate	1.0000	1.0000
4-Aminomethylindole	1.0000	1.0000
4-Aminomethylindole +1.809	1.0000	1.0000
4-Aminomethylindole +2.752	1.0000	1.0000
4-Aminomethylindole +6.156	1.0000	1.0000
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide	1.0000	1.0000
4-Cumylphenol	0.0005	1.7497
4-(dimethylamino)cinnamaldehyde	1.0000	1.0000
4-(dimethylamino)cinnamaldehyde +4.675	1.0000	1.0000
4-Dimethylamino-L-phenylalanine	2.3333	0.0000
4-Dimethylamino-L-phenylalanine +4.039667	1.0000	1.0000
4-Dimethylamino-L-phenylalanine +6.6573753	1.0000	1.0000
4-Dimethylamino-L-phenylalanine +6.7469997	1.0000	1.0000
4-Dimethylamino-L-phenylalanine +6.7560005	1.0000	1.0000
4-Dimethylamino-L-phenylalanine +7.8358746	1.0000	1.0000
(4E,8E,10E-d18:3)sphingosine	0.9972	1.0021
(4E,8E,10E-d18:3)sphingosine +5.1455	1.0000	1.0000
(4E,8E,9Me-d19:2)sphingosine	1.0000	1.0000
4E,9Z-Tetradecadienal	1.3335	0.7498
4E-Tridecenyl acetate	1.0000	1.0000
4-Fluoroaniline	0.8178	1.1366
4-Guanidino-1-butanol	1.5967	0.5525
4-Guanidino-1-butanol +6.732857	0.8459	1.1156
4-Heptyloxyphenol	0.0000	1.7500
4-Heptyloxyphenol +1.1393203	1.7658	0.4256
4-Heptyloxyphenol +1.2421111	1.0000	1.0000
4-Heptyloxyphenol +1.33	1.0000	1.0000
4-Heptyloxyphenol +8.057	1.0000	1.0000
4-Hydroxy-2-quinolone	2.3330	0.0002
4-Hydroxy-2-quinolone +1.213	1.0000	1.0000
4-Hydroxy-2-quinolone +1.6017001	1.8044	0.3967
4-Hydroxy-2-quinolone +1.877	1.0000	1.0000
4-Hydroxy-2-quinolone +2.329	1.0000	1.0000
4-Hydroxy-2-quinolone +2.372	1.0000	1.0000
4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide	2.3326	0.0005
4-Hydroxyfurano[2^^,3^^:6,7]aurone	1.0000	1.0000
4-(Hydroxylamino)-N,N-dimethylaniline	1.0000	1.0000
4-Hydroxylevamisole Glucuronide	1.0862	0.9353
4^-Hydroxyminoxidil	2.3324	0.0007
4-Hydroxyphenylretinamide	2.3320	0.0010
4^-Hydroxytrimethoprim	0.5630	1.3277
4-Isopropylbenzoic acid	1.0000	1.0000
4-keto palmitic acid	2.3324	0.0007
4-keto palmitic acid +1.1575	1.0000	1.0000
4-keto pentadecanoic acid	1.0000	1.0000
4-Methoxytyramine	0.0001	1.7500
4-Methoxytyramine +6.6496663	1.0000	1.0000
4-Methyl-5-thiazoleethanol	0.0001	1.7499
4-Methylaminobutyrate	1.1459	0.8905
4-Methylaminobutyrate +1.7296667	2.3329	0.0003
4-Methylaminobutyrate +6.4024	0.0001	1.7499
4-Methylaminobutyrate +6.603	1.0000	1.0000
4-Methylaminobutyrate +6.781	1.0000	1.0000
4-Methylhistamine	1.0000	1.0000
4-Methylhistamine +7.272	0.0003	1.7498
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone	1.0632	0.9526
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone +7.8585	0.0005	1.7496
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol	1.0000	1.0000
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.8389999	1.0000	1.0000
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +7.8310003	2.3326	0.0006
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +8.451	2.3330	0.0003
4-Naphthalimidobutyric Acid	1.0000	1.0000
4-Nitroestrone	1.0000	1.0000
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	2.3326	0.0005
4-Nitrotoluene	0.0003	1.7498
4-Nitrotoluene +1.788	1.0000	1.0000
4-Nitrotoluene +6.6433334	0.1453	1.6411
4-octenal	1.0000	1.0000
4-octenal +1.145	1.0000	1.0000
(4OH,8Z,t18:1) sphingosine	1.1651	0.8762
(4OH,8Z,t18:1) sphingosine +1.29	1.0000	1.0000
4-Oxo-1-(3-pyridyl)-1-butanone	0.6335	1.2749
4-Oxo-1-(3-pyridyl)-1-butanone +2.414	0.0007	1.7494
4-Oxo-1-(3-pyridyl)-1-butanone +3.581	0.0006	1.7496
4-oxo capric acid	1.0000	1.0000
4-Oxovalproic acid	1.1028	0.9229
4-Oxovalproic acid +6.3677998	0.0003	1.7498
4-Oxovalproic acid +6.5709996	1.0000	1.0000
4-Oxovalproic acid +7.7280765	1.3458	0.7406
4-PIOL	0.8728	1.0954
4-PIOL +7.76625	0.0002	1.7499
4-PIOL +7.914	1.0000	1.0000
4S,5S-antillatoxin A	1.0000	1.0000
4-Sulfobenzyl alcohol	1.0000	1.0000
4-tert-Octylphenol	0.0002	1.7499
4-tert-Octylphenol +5.1075	1.0000	1.0000
4-(Trimethylammonio)but-2-enoate	0.9334	1.0500
4-(Trimethylammonio)but-2-enoate +6.1977997	1.0000	1.0000
4-(Trimethylammonio)but-2-enoate +6.6723886	0.0001	1.7499
4-Vinylcyclohexene	2.3331	0.0002
4-Vinylcyclohexene +1.104	1.0000	1.0000
4-Vinylcyclohexene +1.3033333	0.0004	1.7497
4Z-tetradecenoic acid	2.3322	0.0008
4Z-tetradecenoic acid +1.25875	0.0011	1.7492
4Z-tetradecenoic acid +1.3352499	0.0008	1.7494
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin	1.0000	1.0000
54:3 SLBPA	2.3324	0.0007
5(6)-EpETrE-EA	1.1195	0.9104
5,7,3^,4^,5^-Pentahydroxyflavanone	1.0000	1.0000
5,7,3^-Trihydroxy-4^,5^-dimethoxy-6,8-di-C-methylflavanone	1.0000	1.0000
5,7,3^-Trihydroxy-6,4^,5^-trimethoxyflavanone	1.0000	1.0000
5-Acetamidovalerate	0.0002	1.7498
5-Acetamidovalerate +1.913	1.0000	1.0000
5-Amino-1-ribofuranosylimidazole-4-carboxyamide	2.1151	0.1637
5?-Androstan-3?,17?-Diol	0.7684	1.1737
5-Azacytidine	1.0000	1.0000
5beta-Chola-3,8(14),11-trien-24-oic Acid	0.0002	1.7498
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.005	1.0000	1.0000
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.2441483	0.5964	1.3027
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.5235	1.0000	1.0000
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.688125	0.0004	1.7497
5beta-Chola-3,8(14),11-trien-24-oic Acid +1.8381667	2.3331	0.0002
5?-Cholane-3?,6?,24-triol	1.0000	1.0000
5?-Cholestane-3?,7?,25,26-tetrol	1.0000	1.0000
5?-Cyprinolsulfate	1.0000	1.0000
5?-Cyprinolsulfate +1.353	1.0000	1.0000
5^-Deoxy-5^-fluoroadenosine	1.0000	1.0000
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid	2.3333	0.0001
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +7.284889	2.3332	0.0001
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid	1.0000	1.0000
5-Hydroxy-3,4-dihydrocarbostyryl	1.0000	1.0000
5-Hydroxy-3,4-dihydrocarbostyryl +1.246	1.0000	1.0000
5-Hydroxy-3,4-dihydrocarbostyryl +2.95	1.0000	1.0000
5-Hydroxy-3,4-dihydrocarbostyryl +3.5035	0.0007	1.7495
5-Hydroxybuspirone	1.0000	1.0000
5-Hydroxydopamine	0.0001	1.7499
5-Hydroxydopamine +2.564	1.0000	1.0000
5-Hydroxydopamine +2.883	1.0000	1.0000
5-Hydroxydopamine +6.352667	1.0000	1.0000
5-Hydroxydopamine +6.5967503	1.0000	1.0000
5-Hydroxyectoine	0.9840	1.0120
5-Hydroxyectoine +7.287	2.3329	0.0003
5-Hydroxyectoine +7.6464996	1.0000	1.0000
5-Hydroxyectoine +7.736	0.0012	1.7491
5-Hydroxyindol-2-carboxylic acid	1.0000	1.0000
5-Hydroxymethylcimetidine	1.0000	1.0000
5-Methoxytryptophan	1.0977	0.9268
5-methyl-octadecanoic acid	1.0000	1.0000
5-Methylthiopentanaldoxime	0.0001	1.7500
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]	1.0000	1.0000
(5-Phenyl-1,2,4-triazol-3-yl)urea	1.1139	0.9146
5-Phenyl-1,3-oxazinane-2,4-dione	0.0004	1.7497
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	0.0008	1.7494
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol +4.696	1.0000	1.0000
5-trans U-44069	0.0009	1.7494
5Z,9Z-hexadecadienoic acid	1.0000	1.0000
5Z,9Z-Tridecadienyl acetate	1.0355	0.9734
5Z,9Z-Tridecadienyl acetate +1.1930001	0.0008	1.7494
6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone	1.0000	1.0000
6-[5]-ladderane-1-hexanol	1.0000	1.0000
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid	1.0000	1.0000
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid +2.924	1.0000	1.0000
6,7-Dimethyltetrahydropterin	0.0007	1.7495
6,8-Dihydroxypurine	0.3574	1.4819
6-(Allylthio)purine	1.0000	1.0000
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	1.7500	0.4375
6-(alpha-D-Glucosaminyl)-1D-myo-inositol +3.233	2.3328	0.0004
6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate	1.0000	1.0000
6-Benzylaminopurine	1.0000	1.0000
6-Benzylaminopurine +6.399	1.0000	1.0000
6-Benzylaminopurine +6.44	1.0000	1.0000
6-bromo-5,9-hexacosadienoic acid	2.3325	0.0006
6-bromo-5,9-hexacosadienoic acid +4.328	1.0000	1.0000
6-bromo-5,9-hexacosadienoic acid +4.4300003	2.3328	0.0004
6-Dimethylaminopurine	1.0000	1.0000
6-Dimethylaminopurine +6.2795	1.0000	1.0000
6E-Dodecen-1-ol	1.2365	0.8226
6E-Dodecen-1-ol +4.278	1.0000	1.0000
6E-nonenoic acid	1.0000	1.0000
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	1.7950	0.4037
6-hydroxy caproic acid	1.0000	1.0000
6?-Hydroxy-castasterone	2.3322	0.0009
6-Hydroxyindolelactate	1.0000	1.0000
6-Hydroxyindolelactate +1.861	1.0000	1.0000
6^?-Hydroxylovastatin	0.0006	1.7495
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	0.0011	1.7492
6-Methylpretetramide	1.0000	1.0000
6-methyltetrahydropterin	1.1574	0.8820
6-nonenal	0.0002	1.7498
6-nonenal +1.1750001	2.3324	0.0007
6-nonenal +1.763	1.0000	1.0000
6-nonenal +5.1619997	1.0000	1.0000
6-O-Methylguanine	1.1395	0.8954
6-Oxocineole	0.7205	1.2096
6-Oxocineole +1.26005	1.7705	0.4221
6-Oxocineole +1.415	1.0000	1.0000
6-piperazin-1-yl-Isoquinoline	1.0000	1.0000
6-piperazin-1-yl-Isoquinoline +8.097	1.0000	1.0000
6-Sialyl-N-acetyllactosamine	1.1720	0.8710
6Z-hexadecenoic acid	1.0000	1.0000
7,12-Dimethylbenz[a]anthracene	0.0009	1.7493
7-(3-Methylbut-2-enyl)-L-tryptophan	1.0000	1.0000
7-(3-Methylbut-2-enyl)-L-tryptophan +2.097	0.0006	1.7496
7,8-Diaminononanoate	0.4680	1.3990
7,8-Diaminononanoate +6.031	1.0000	1.0000
7,8-Dihydro-14-hydroxynormorphine	1.0000	1.0000
7a-Ethynylestradiol 3-glucuronide	1.0000	1.0000
7a-Ethynylestradiol 3-glucuronide +1.4805	1.0000	1.0000
7alpha-Hydroxytestololactone	1.1605	0.8797
7alpha-Hydroxytestololactone +1.532	2.3318	0.0012
7alpha-Hydroxytestololactone +6.308	1.0000	1.0000
(+)-7beta-Hydroxy-15-beyeren-19-oic acid	0.0013	1.7490
7-Deacetylkhivorin	1.0000	1.0000
7H-Dibenzo[c,g]carbazole	1.0000	1.0000
7H-Dibenzo[c,g]carbazole +7.6464996	0.0003	1.7498
7?-Hydroxy-7-Desacetoxykhivorinic Acid, Methyl Ester	1.0000	1.0000
7-Hydroxytacrine	1.0000	1.0000
7-Hydroxytrifluoperazine glucuronide	1.0000	1.0000
7-Hydroxytrifluoperazine glucuronide +2.5405002	1.0000	1.0000
7-Hydroxytrifluoperazine glucuronide +3.257	1.0000	1.0000
7-Mercaptoheptanoylthreonine	2.3318	0.0012
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran	1.0000	1.0000
7-Methylthioheptanaldoxime	1.3036	0.7723
7-Methylxanthine	1.0905	0.9322
7-Methylxanthine +2.0888	1.0260	0.9805
7-Methylxanthine +3.2965002	1.0000	1.0000
7-Methylxanthine +3.3950768	0.9746	1.0191
7-nonynoic acid	1.5993	0.5505
7-nonynoic acid +1.3032776	0.2523	1.5608
7-nonynoic acid +1.342	1.0000	1.0000
7-octenoic acid	0.0013	1.7490
7-Oxoheptanoic acid	0.5739	1.3196
7-Oxoheptanoic acid +6.545166	1.9317	0.3012
7-Oxoheptanoic acid +6.91475	1.0000	1.0000
7-Oxoheptanoic acid +7.3506665	0.0001	1.7499
7-Oxoheptanoic acid +8.1285	0.0003	1.7497
7-Sulfocholic acid	1.0805	0.9396
7-Tridecenoic acid; C13:1n-6	1.6000	0.5500
7-Tridecenoic acid; C13:1n-6 +1.0925	2.3324	0.0007
7Z,10Z,13Z-docosatrienoic acid	1.0000	1.0000
7Z-hexadecen-1-ol	0.5556	1.3333
7(Z)-Pentacosene	0.4733	1.3950
7(Z)-Tricosene	0.0009	1.7493
8,11,14-Nonadecatriynoic acid	0.9107	1.0670
8-(5-hexyl-furan-2-yl)-octanoic acid	0.0004	1.7497
8-(5-hexyl-furan-2-yl)-octanoic acid +1.164	1.0000	1.0000
8,9-dihydroxy-5,11,14-eicosatrienoic acid	1.0000	1.0000
8,9-dihydroxy-5,11,14-eicosatrienoic acid +1.143	1.0000	1.0000
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)	1.0000	1.0000
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) +6.321	1.0000	1.0000
8-D-Olivosyl-landomycin	1.0000	1.0000
8-D-Olivosyl-landomycin +5.608	1.0000	1.0000
8E,10E-Pentadecadienyl acetate	1.0000	1.0000
8E-Heptadecenedioic acid	1.0000	1.0000
8-Epiiridotrial glucoside	1.0000	1.0000
8?-estra-1,3,5(10)-trien-3,17?-diol	1.0000	1.0000
(±)8-gingerol	0.8646	1.1015
(±)8-gingerol +1.158	1.0000	1.0000
8-Hydroxy-7-methylguanine	1.1392	0.8956
8-Hydroxyadenine	1.4334	0.6750
8-Hydroxyadenine +2.9486666	2.3325	0.0006
8-Hydroxyadenine +3.9255457	0.0005	1.7496
8-Hydroxyapigenin 8-(6^^-E-p-coumaroylglucoside)	1.0000	1.0000
8?-Hydroxycarapin, 3,8-Hemiacetal	1.0000	1.0000
8-Hydroxyguanosine	1.0000	1.0000
8-Isoquinoline methanamine	1.0000	1.0000
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	1.0000	1.0000
8-methylcaffeine	0.7357	1.1983
8-methylcaffeine +1.694	1.0000	1.0000
8-methylcaffeine +1.7191664	2.3329	0.0003
8-methylcaffeine +6.0638576	1.0000	1.0000
8-oxo-9,11-octadecadiynoic acid	1.0000	1.0000
8-Prenyllepidissipyrone	1.0000	1.0000
8-tridecynoic acid	1.5802	0.5648
8-tridecynoic acid +1.129	1.0000	1.0000
8-tridecynoic acid +6.5343337	1.0000	1.0000
8Z-heptadecenoic acid	0.0007	1.7495
8Z-heptadecenoic acid +1.202	1.0000	1.0000
8Z-heptadecenoic acid +6.959	1.0000	1.0000
8Z-undecenoic acid	0.0002	1.7499
9,10-epoxy-13-hydroxy-11-octadecenoic acid	1.0026	0.9981
9,10-epoxy-13-hydroxy-11-octadecenoic acid +1.2173529	0.7666	1.1750
9,10-epoxy-13-oxo-11-octadecenoic acid	0.0002	1.7499
9,10-epoxy-13-oxo-11-octadecenoic acid +1.129	0.0005	1.7496
9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol	2.3317	0.0012
9,11-Octadecadiynoic acid, 8-oxo-	0.0004	1.7497
9,12-dioxo-dodecanoic acid	1.2306	0.8271
9,12-dioxo-dodecanoic acid +1.174	1.0000	1.0000
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid	2.3328	0.0004
9-amino-nonanoic acid	1.0000	1.0000
9-amino-nonanoic acid +4.134	1.0000	1.0000
9-amino-nonanoic acid +4.45	1.0000	1.0000
9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one	1.0000	1.0000
9E,11-Dodecadienal	1.5258	0.6057
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	0.0000	1.7500
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +1.503	1.0000	1.0000
9-hydroxy-16-oxo-hexadecanoic acid	0.0007	1.7495
9-Nitrooleate	1.0000	1.0000
9-O-Demethyl-2alpha-hydroxyhomolycorine	1.0000	1.0000
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.349	1.0000	1.0000
9-O-Demethyl-2alpha-hydroxyhomolycorine +1.591	1.0000	1.0000
9-O-Demethyl-2alpha-hydroxyhomolycorine +3.184	1.0000	1.0000
9-OxoOTrE	1.1446	0.8916
9R,10S,18-trihydroxy-stearic acid	0.0002	1.7499
(9R,13R)-1a,1b-dihomo-jasmonic acid	1.0000	1.0000
9S,10S,11R-trihydroxy-12Z-octadecenoic acid	0.3171	1.5122
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +1.2165	0.0011	1.7492
9-tridecynoic acid	1.3835	0.7124
9-undecynoic acid	0.0003	1.7497
9-undecynoic acid +1.155	1.0000	1.0000
9Z,12E,15Z-octadecatrienoic acid	1.4601	0.6549
9Z,12E,15Z-octadecatrienoic acid +1.1836667	2.3321	0.0009
9Z,12E,15Z-octadecatrienoic acid +1.33575	0.0008	1.7494
9Z-Heptadecenal	2.3332	0.0001
9Z-Octadecene-12,14-diynoic acid	1.0000	1.0000
a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol	1.0000	1.0000
a-[1-(ethylamino)ethyl]-p-hydroxy-Benzyl alcohol	1.0000	1.0000
A 80987	1.0000	1.0000
A 80987 +1.0995	0.0003	1.7498
Acarbose (M8)	0.0004	1.7497
Acebutolol	1.0000	1.0000
Acetone cyanohydrin	1.2678	0.7991
Acetone cyanohydrin +6.703	0.0002	1.7498
Acetophenazine	1.0624	0.9532
Acetyl-11-keto-B-Boswellic Acid, 3-	1.0000	1.0000
Acetylagmatine	0.0003	1.7498
Acetylcholine	1.1913	0.8565
Acetylenic acids	1.0000	1.0000
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic acid	1.5128	0.6154
Acetyleugenol	1.0000	1.0000
Acetylpseudotropine	1.0000	1.0000
Acexamic Acid	1.5978	0.5517
Acexamic Acid +7.4985	0.0005	1.7496
Acrylamide	1.0000	1.0000
Actinidine	1.1883	0.8588
Ac-Tyr-OEt	1.0000	1.0000
Ac-Tyr-OEt +5.34	0.0002	1.7498
Ac-Tyr-OEt +6.5769997	1.0000	1.0000
Ac-Tyr-OEt +6.7226663	0.0001	1.7500
Adenine	1.9469	0.2898
Aeroplysinin 1	0.0012	1.7491
AG-99	0.0003	1.7498
AG-99 +3.261	1.0000	1.0000
Agavegenin A	1.0000	1.0000
AGC	0.5258	1.3556
Agecorynin D	0.0003	1.7498
Agomelatine	1.0000	1.0000
Aknadicine	1.0000	1.0000
AL 8810 ethyl amide	1.0000	1.0000
Ala Asn Asn	1.0798	0.9401
Ala Ile Ile	1.0000	1.0000
Alanopine	1.0000	1.0000
?-Alanyl-L-arginine	1.0000	1.0000
?-Alanyl-L-arginine +7.9485	2.3325	0.0006
Ala Pro	0.0003	1.7498
Ala Pro +7.4105997	2.3328	0.0004
Ala Trp	1.0000	1.0000
Ala Trp Ala	0.0002	1.7498
Ala Trp Glu	1.0000	1.0000
albendazole sulfone	0.0008	1.7494
Albomaculine	1.0000	1.0000
Allopumiliotoxin 267A	0.0003	1.7498
Allopumiliotoxin 267A +5.434	1.0000	1.0000
Allopumiliotoxin 267A +5.5225	1.0000	1.0000
allopurinol	1.1135	0.9149
allopurinol +3.0236669	1.4258	0.6806
allopurinol +3.156	2.3328	0.0004
all-trans-Dehydroretinal	1.4071	0.6947
all-trans-hexaprenyl diphosphate	0.0002	1.7499
all-trans-hexaprenyl diphosphate +4.4986877	0.1383	1.6463
all-trans-hexaprenyl diphosphate +4.5815387	0.2387	1.5710
all-trans-hexaprenyl diphosphate +5.21775	0.0007	1.7495
Allyl chloride	0.0001	1.7499
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol	1.0000	1.0000
alpha,4,2^-Trihydroxy-4-O-geranyldihydrochalcone	1.0020	0.9985
alpha-Amylcinnamaldehyde	0.0005	1.7496
alpha-Methylstyrene	1.3298	0.7527
alpha-Methylstyrene +1.095	1.0000	1.0000
alpha-Methylstyrene +7.186	1.0000	1.0000
alpha-Sanshool	1.0000	1.0000
Alpinine	1.0000	1.0000
Amdinocillin	0.0002	1.7499
Amino acid(Arg-)	1.6907	0.4820
Amino acid(Arg-) +6.28	1.0000	1.0000
Amino acid(Arg-) +8.681333	1.0000	1.0000
aminocaproic acid	1.1074	0.9194
aminocaproic acid +1.2785	1.0000	1.0000
aminocaproic acid +4.5415	0.0002	1.7499
aminocaproic acid +6.4613338	0.0002	1.7498
aminocaproic acid +6.903	1.0000	1.0000
AminoDHQ	1.0000	1.0000
aminohippuric acid	1.0000	1.0000
Amiprilose	1.0000	1.0000
Amiprilose +1.0855	0.0013	1.7490
Ammodendrine	2.3323	0.0008
Ammodendrine +6.370333	1.0000	1.0000
Ammodendrine +6.915	1.0000	1.0000
Ammodendrine +7.22	1.6449	0.5163
Ampicilloic acid	1.0000	1.0000
AM-toxin I	1.0000	1.0000
AM-toxin I +1.843	1.0000	1.0000
AM-toxin I +6.5865	1.0000	1.0000
Anandamide (20:2, n-6)	0.8616	1.1038
Anandamide (20:2, n-6) +1.1666154	1.1203	0.9097
Anandamide (20:2, n-6) +1.2969999	1.0000	1.0000
Anandamide (20:l, n-9)	2.3318	0.0011
Anapheline	0.0006	1.7496
Anastrozole	1.0000	1.0000
Angolensic Acid, Methyl Ester	1.0000	1.0000
Anhalonidine	1.0000	1.0000
Anhalonidine +1.574	1.0000	1.0000
Anhalonidine +2.08	0.0011	1.7492
Anhalonidine +4.718778	0.8902	1.0823
Anhalonidine +6.065	2.3326	0.0006
Anhalonidine +6.218	1.0000	1.0000
Anopterine	2.3319	0.0011
A-Norpregn-3(5)-ene-2,20-dione	0.9811	1.0142
A-Norpregn-3(5)-ene-2,20-dione +1.341	1.0000	1.0000
Ansamitocin P3	0.0008	1.7494
anteiso (4E,14-methyl-d16:1) sphingosine	1.0000	1.0000
anteiso (4E,14-methyl-d16:1) sphingosine +1.075	1.0000	1.0000
Anthopleurine	2.3330	0.0002
Anthranilic acid	2.3330	0.0003
Anthranilic acid +5.6640005	2.3330	0.0002
Anthranilic acid +6.9264164	0.6760	1.2430
Antibiotic JI-20A	1.0000	1.0000
Antimony tartrate	1.0000	1.0000
Apigenin 7-rhamnosyl-(1-6)-(4^^-E-p-methoxycinnamoylglucoside)	1.0900	0.9325
Aprobarbital	0.0008	1.7494
Arabinosylhypoxanthine	1.3310	0.7518
Arborinine	0.7777	1.1667
Arborinine +1.8623333	0.0006	1.7496
Arborinine +1.935	1.0000	1.0000
Arbutin	0.0012	1.7491
Arctiopicrin	2.3315	0.0014
Arecaidine	1.0000	1.0000
Arecoline	1.0000	1.0000
Arene oxide	2.3331	0.0001
Arene oxide +8.076	0.0002	1.7498
Arg Asp Lys	0.0008	1.7494
Arg Gln Arg	0.0008	1.7494
Arg Gly Cys	1.0000	1.0000
Argininic acid	0.7551	1.1837
Arg Leu Arg	1.0000	1.0000
Arg Leu Ile	1.0000	1.0000
Arg Met Cys	1.0000	1.0000
Arg-OEt	0.0003	1.7498
Arg Phe	1.0000	1.0000
Arg Pro Arg	1.0000	1.0000
Arg Pro Gly	1.0000	1.0000
Arg Trp Trp	0.0010	1.7492
Arg Trp Trp +1.241	0.0003	1.7498
Artoindonesianin B	1.9861	0.2604
(-)-AS 115	0.0006	1.7495
(-)-Asbestinine 2	0.0006	1.7496
Ascidiacyclamide	1.0793	0.9405
Asn Arg His	1.0000	1.0000
Asp Ala His	1.0000	1.0000
Asp Ala His +3.404	0.0008	1.7494
Aspidinol	1.0000	1.0000
Asp Val Ser	1.0000	1.0000
Athamantin	1.0000	1.0000
(+)-Atherospermoline	1.0000	1.0000
Atorvastatin	0.0007	1.7495
Atorvastatin +1.8387501	2.3317	0.0012
Atorvastatin Metabolite(meta)	0.9788	1.0159
Atracurium (Quaternary monoacrylate)	1.0000	1.0000
Atraton	1.1546	0.8840
Atraton +6.509	1.0000	1.0000
Atropaldehyde	1.0000	1.0000
Atropine	1.0000	1.0000
Auriculasin	1.0000	1.0000
Avermectin A1a monosaccharide	1.0000	1.0000
Avermectin A1a monosaccharide +1.681	1.0000	1.0000
Avermectin A1a monosaccharide +1.798	1.0000	1.0000
Avermectin A1a monosaccharide +7.483	1.0000	1.0000
Avermectin A1a monosaccharide +7.5135	0.0006	1.7496
Avermectin A1a monosaccharide +7.571001	0.3642	1.4769
Avermectin A2a	1.0000	1.0000
Axisothiocyanate 3	1.1172	0.9121
Axisothiocyanate 3 +1.12825	0.8895	1.0829
Axisothiocyanate 3 +7.993	0.0003	1.7498
Axisothiocyanate 3 +8.046	0.0002	1.7498
Azafenidin	1.8448	0.3664
Azafenidin +1.0753332	1.0000	1.0000
Azoprocarbazine	2.3328	0.0004
B-(4-Fluorobenzoyl)propionic acid	0.0007	1.7494
B-(4-Fluorobenzoyl)propionic acid +7.5972004	1.1441	0.8919
bacteriohopane-32,33, 34-triol-35-carbamate	0.0013	1.7490
Baptifoline	1.0000	1.0000
Barbital	0.0006	1.7495
Barbital +2.3965	0.0011	1.7492
Barbital +6.54	1.0000	1.0000
Barbital +7.186	1.0000	1.0000
Barbital +7.302	1.0000	1.0000
BAY-60-7550	1.0000	1.0000
BAY-60-7550 +1.4426666	1.0000	1.0000
b-D-Galactopyranose	1.0000	1.0000
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl	0.6272	1.2796
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl +1.6074	0.0003	1.7498
Bellendine	1.0000	1.0000
Bellendine +6.342	1.0000	1.0000
Benazepril	2.3327	0.0005
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide	0.0010	1.7493
Benzo[a]pyrene-trans-11,12-dihydrodiol	0.0005	1.7496
Benzoylagmatine	0.5538	1.3347
Benzoylagmatine +1.195	2.3320	0.0010
Benzoylagmatine +9.124	1.0000	1.0000
Benzphetamine	1.0000	1.0000
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	0.0004	1.7497
benzylazanium	1.0000	1.0000
benzylazanium +5.4168005	1.0000	1.0000
Benzylbutylphthalate	1.0000	1.0000
Benzyl chloride	0.0002	1.7499
Benzyloxyphenylisoserine Methylester	2.3329	0.0003
Benzyloxyphenylisoserine Methylester +1.3226666	1.7450	0.4413
Benzyloxyphenylisoserine Methylester +1.994	0.0012	1.7491
Benzylsuccinate	1.0000	1.0000
Berbamunine	1.0000	1.0000
Berbamunine +2.626	0.0007	1.7495
Bestatin	0.0006	1.7496
Bestatin +2.7370002	1.0000	1.0000
Bestatin +3.1152	1.0000	1.0000
Bestatin +3.3625	1.0000	1.0000
Bestatin +3.431	1.0000	1.0000
Bestatin +6.386	1.0000	1.0000
Bestatin +6.438714	1.0000	1.0000
Bestatin +7.646	1.0000	1.0000
Bestatin +8.5805	0.0001	1.7499
beta-D-Gentiobiosyl crocetin	1.0000	1.0000
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol	0.7763	1.1678
Betaine	0.8440	1.1170
Betaine +6.2143884	0.8563	1.1078
Betaine +6.535154	1.0339	0.9746
Bethanechol	0.0001	1.7499
b-Glucose	1.0000	1.0000
Bicalutamide	2.3327	0.0005
Bifenazate	1.6204	0.5347
Bifenazate +2.0	1.0000	1.0000
Bifenazate +2.097	0.0006	1.7496
Bikhaconitine	0.0010	1.7493
BILA 2185BS	0.0003	1.7498
Biopterin	1.0000	1.0000
Bioresmethrin	0.0008	1.7494
Bioresmethrin +6.0765	1.0000	1.0000
Biotripyrrin-b	0.5183	1.3612
Bis (2-hydroxypropyl) amine	1.0551	0.9587
Bis (2-hydroxypropyl) amine +5.68275	1.0445	0.9666
bis(4-fluorophenyl)-Methanone	0.0006	1.7496
Bisacodyl diphenol	1.1946	0.8541
Bisacodyl diphenol +1.2273333	1.0000	1.0000
Bis(glycerophospho)-glycerol	0.0011	1.7492
Boc-Asn	0.7593	1.1806
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	1.1785	0.8662
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +1.408	0.0013	1.7490
B-Octylglucoside	0.9976	1.0018
B-Octylglucoside +1.194	1.0000	1.0000
Brosimacutin B	0.7398	1.1951
Brosimacutin B +1.0826429	2.3327	0.0005
Brucine	1.0000	1.0000
Bufotalin	1.0000	1.0000
Bufotalin +3.264	1.0000	1.0000
Bullatacinone	0.8372	1.1221
butalbital	0.0009	1.7493
butalbital +2.6065	1.0000	1.0000
butalbital +3.475	1.0000	1.0000
butalbital +4.157	1.0000	1.0000
butalbital +6.476	2.3327	0.0004
butalbital +6.48	1.0000	1.0000
Butopyronoxyl	1.0000	1.0000
Butopyronoxyl +1.1	1.0000	1.0000
Butopyronoxyl +1.1004	2.3330	0.0002
Butopyronoxyl +1.6455001	0.0002	1.7498
Butralin	0.0004	1.7497
Butralin +6.9285	2.3321	0.0009
BW 723C86	1.0000	1.0000
BW 723C86 +6.46	1.0000	1.0000
Byakangelicin	2.3318	0.0011
C12:4n-2,4,8,10	2.3325	0.0007
C12:5n-1,3,5,7,9	0.0006	1.7496
C14:5n-1,3,5,7,9	1.0000	1.0000
C16:4n-4,8,10,14	1.0000	1.0000
C17 Sphinganine	1.0418	0.9687
C17 Sphinganine +4.14	1.0000	1.0000
C22:2n-9,17	1.2846	0.7866
C22:5n-3,7,10,14,18	1.0000	1.0000
C22:5n-3,7,10,14,18 +1.689	1.0000	1.0000
C75	1.0000	1.0000
Callytriol C	1.0000	1.0000
Calomelanol G	0.0002	1.7498
Calycanthidine	1.0000	1.0000
Camptothecin	1.5709	0.5719
Candimine	1.0000	1.0000
Canthiumine	1.0000	1.0000
Canthiumine +1.508	1.0000	1.0000
Capillartemisin A	0.0007	1.7495
Capillartemisin B	2.3326	0.0005
Capillartemisin B +2.004	1.0000	1.0000
Capryloylglycine	0.0009	1.7493
Capryloylglycine +7.483	1.0000	1.0000
Capsaicin	2.3332	0.0001
Capsi-amide	0.3550	1.4837
carbenicillin	0.0013	1.7490
Carbidopa	1.0000	1.0000
Carbofuran	1.0000	1.0000
Carboxynorspermidine	1.0000	1.0000
Carboxyspermidine	0.9242	1.0569
Cardiogenol C	0.0006	1.7496
Cardiogenol C +1.1026667	0.0006	1.7495
Cardiogenol C +1.418	1.0000	1.0000
Caribine	1.0000	1.0000
Carmamycin A	1.1366	0.8975
Carnitine	1.7763	0.4178
Carolinianine	1.0000	1.0000
Carolinianine +4.4344997	2.3331	0.0002
Carpipramine	1.0000	1.0000
Carteolol	1.0000	1.0000
Carteolol +1.264	0.0012	1.7491
Carteolol +4.863	1.0000	1.0000
Carteolol +4.902	1.0000	1.0000
Carteolol +7.7135	0.0007	1.7495
Cassaidine	1.1874	0.8595
Cassaidine +1.2145312	0.7079	1.2190
Cassaidine +1.4556667	1.3136	0.7648
Castanospermine	1.0000	1.0000
Castanospermine +2.093	1.0000	1.0000
Cavinine	1.0000	1.0000
Cavinine +2.0180001	0.0005	1.7497
CAY10449	2.3331	0.0002
CAY10464	0.0011	1.7492
CAY10492	1.0000	1.0000
CAY10492 +1.611	2.3322	0.0009
CAY10492 +2.2529998	0.0005	1.7497
CAY10492 +6.5930004	1.0000	1.0000
CAY10506	0.0004	1.7497
CAY10506 +2.0825	0.0008	1.7494
CAY10514	1.0000	1.0000
CAY10580	1.0000	1.0000
CAY10583	0.8021	1.1484
CAY10598	1.0426	0.9680
CAY10621	2.3330	0.0003
CAY10621 +1.2436666	0.0005	1.7496
CB-13	0.9603	1.0298
CBHA	0.0009	1.7494
CCT018159	1.0000	1.0000
Cefoselis	1.0000	1.0000
Cefoxitin	0.0010	1.7493
Cefpodoxime proxetil	2.3330	0.0003
Celiprolol	0.6525	1.2606
Cer(d18:0/h17:0)	2.3317	0.0012
Cer(d18:1/18:1(11Z))	0.0013	1.7490
Cer(d18:2/20:0)	0.0012	1.7491
Cerivastatin	0.0012	1.7491
Cer(t18:0/16:0)	1.0000	1.0000
CGH 2466	1.0000	1.0000
Chaksine	0.6502	1.2623
Chalcomycin	0.0013	1.7490
Chamazulene	2.3328	0.0004
Chamazulene +1.572	0.0013	1.7490
Chivosazole A	0.0007	1.7494
Chivosazole A +1.8365	1.0000	1.0000
Chlorbufam	1.0000	1.0000
Chloromebuform	0.8610	1.1042
Chloromethiuron	1.0000	1.0000
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	0.0010	1.7493
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside +2.3913333	2.3319	0.0011
Cholest-5-ene	0.0010	1.7492
cholesteryl beta-D-glucoside	1.0000	1.0000
Cholic acid glucuronide	0.0003	1.7498
Cholic acid glucuronide +3.6834998	0.0009	1.7493
Choline sulfate	2.3332	0.0001
ciclopirox	1.0000	1.0000
ciclopirox +6.3636665	1.0000	1.0000
ciclopirox +6.818	1.0000	1.0000
Cilazapril	1.0000	1.0000
Cimetidine	0.0002	1.7499
Cimetidine sulfoxide	0.0008	1.7494
cimicifoetiside B	0.0005	1.7497
Cimicifugoside	0.0006	1.7496
Cinchonidinone	1.0000	1.0000
Cinnamodial	1.0000	1.0000
Cinobufotalin	0.0009	1.7493
Ciprofloxacin	2.3317	0.0012
cis-1,2-Diphenylcyclobutane	2.3324	0.0007
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	0.5923	1.3058
cis-5-Tetradecenoylcarnitine	1.0000	1.0000
cis-Caryophyllene	1.5925	0.5556
cis-Caryophyllene +1.087	0.0012	1.7491
cis-Chlorobenzene dihydrodiol	1.0000	1.0000
cis-Zeatin	1.8238	0.3821
cis-Zeatin +1.5618463	0.8559	1.1081
cis-Zeatin +2.6260002	1.0000	1.0000
cis-Zeatin +5.183	1.0000	1.0000
cis-Zeatin +5.3156667	2.3331	0.0002
Citrinin	1.0000	1.0000
Clionamide	1.0000	1.0000
Clofibrate	0.0005	1.7496
Cobalt-precorrin 5A	1.0000	1.0000
Codeine	2.3317	0.0012
Compound III(S)	1.0000	1.0000
Confertifolin	0.0003	1.7498
Confertifolin +1.234	1.0000	1.0000
Conhydrine	1.1046	0.9216
Conhydrine +9.161666	0.0000	1.7500
Conhydrine +9.368	0.0005	1.7496
Coniine	0.6365	1.2726
Coniine +9.128111	1.7083	0.4688
Convolamine	1.0000	1.0000
Convoline	0.0001	1.7499
Convoline +1.586	1.0000	1.0000
Convoline +1.65	1.0000	1.0000
Coprine	0.0008	1.7494
Coprine +5.741	0.0008	1.7494
Cordycepin	1.0000	1.0000
Corpaine	1.0000	1.0000
Corrinoid	2.3323	0.0008
coumarin-SAHA	0.0002	1.7498
CPA(18:0)	2.3321	0.0010
Crassin Acetate	0.4592	1.4056
Crinasiadine	1.1298	0.9027
Cryptophorine	0.0011	1.7492
Cryptophycin 1	2.3322	0.0008
Cucumopine	0.0009	1.7494
Cyanofenphos	1.0000	1.0000
Cycleanine	1.0000	1.0000
Cycleanine +1.8385	2.3327	0.0005
Cyclocreatine	0.4815	1.3889
cyclohexylammonium	1.0145	0.9891
cyclohexylammonium +4.773	1.0000	1.0000
cyclohexylammonium +8.543	1.0000	1.0000
Cyclopentanone	1.0000	1.0000
Cyclopropanecarboxylate	2.3333	0.0000
Cymather aldehyde methyl ester	1.9349	0.2988
Cymather aldehyde methyl ester +1.1653999	1.0000	1.0000
Cymather aldehyde methyl ester +1.436	1.0000	1.0000
Cymoxanil	1.1374	0.8969
Cynometrine	1.0000	1.0000
Cynometrine +2.098	1.0000	1.0000
Cynometrine +2.126	1.0000	1.0000
Cyromazine	2.3326	0.0005
Cys Asn Arg	2.3331	0.0002
Cys Asn His	1.0000	1.0000
Cys Lys Asn	0.0002	1.7498
Cytosine	1.0000	1.0000
D-1-Piperideine-2-carboxylic acid	1.0000	1.0000
DAN-1 EE	1.0000	1.0000
DAUDA	1.0000	1.0000
D-Camphorsulfonate	1.0000	1.0000
d-Dethiobiotin	2.3329	0.0003
d-Dethiobiotin +6.8815002	1.0000	1.0000
d-Dethiobiotin +7.7555003	2.0293	0.2280
Deamino-?-keto-demethylphosphinothricin	1.0000	1.0000
Debromoaplysiatoxin	1.5354	0.5985
Debromohymenialdisine	1.0000	1.0000
decanamide	1.1188	0.9109
decanamide +4.133	1.0000	1.0000
Decanoyl m-Nitroaniline	1.0000	1.0000
Dehydroabietamide	2.3322	0.0009
Dehydroandrosterone	0.6345	1.2741
Dehydroandrosterone +1.1034999	2.3330	0.0002
Dehydrofalcarinol	0.0001	1.7500
Dehydrojuvabione	1.0000	1.0000
Dehydrojuvabione +1.2893333	0.0004	1.7497
Delcorine	1.0000	1.0000
Delcorine +1.282	1.0000	1.0000
delta-Guanidinovaleric acid	1.0000	1.0000
Demethylcitalopram	2.3332	0.0001
Demissine	0.0005	1.7497
Denticulaflavonol	2.3315	0.0014
Deoxycholic acid 3-glucuronide	2.3332	0.0001
Deoxycytidine	1.0000	1.0000
Deoxycytidine +7.743	1.0000	1.0000
Deoxymiroestrol	1.1666	0.8750
Deoxymiroestrol +1.077	1.0000	1.0000
Depdecin	0.0007	1.7494
Desacetylcolchicine	1.0000	1.0000
Desacetylvinblastine	1.0000	1.0000
Desethylchloroquine	1.0000	1.0000
desethyletomidate	2.3329	0.0003
Desmethyldescarbamoylnovobiocin	1.0000	1.0000
Desmethyldeschlorobenzoyl Indomethacin	1.0000	1.0000
Desmethyldihydrocapsaicin	1.0000	1.0000
Desmethyl fluvoxamine	1.0000	1.0000
Desmethylnizatidine	2.3329	0.0003
Desmethylpirenzepine	0.0003	1.7498
Desmethylpirenzepine +1.578	0.0008	1.7494
Desmethyl rosuvastatin	1.0000	1.0000
Desoxypeganine	1.0000	1.0000
Dexnorfenfluramine	1.0000	1.0000
dexpanthenol	0.0004	1.7497
dexpanthenol +6.741	1.0000	1.0000
D-Fructofuranose 1,2^:2,3^-dianhydride	2.3331	0.0002
DG(14:0/24:1(15Z)/0:0)	1.0000	1.0000
DG(14:1(9Z)/14:1(9Z)/0:0)	1.0000	1.0000
DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	2.3319	0.0011
DG(16:0/22:2(13Z,16Z)/0:0)[iso2]	1.0000	1.0000
DG(16:1(9Z)/14:1(9Z)/0:0)	1.0000	1.0000
DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	1.5877	0.5592
DG(17:1(9Z)/19:0/0:0)[iso2]	1.0000	1.0000
DG(18:0/22:1(13Z)/0:0)[iso2]	1.0000	1.0000
DG(18:1(11Z)/18:2(9Z,12Z)/0:0)	1.0000	1.0000
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	1.0319	0.9760
DG(18:1(9Z)/22:1(13Z)/0:0)[iso2]	1.0000	1.0000
DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)	2.3326	0.0005
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]	0.8066	1.1450
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] +1.1175295	2.1729	0.1203
DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	1.0000	1.0000
DG(22:0/14:0/0:0)	0.7446	1.1916
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	1.0450	0.9662
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +1.1077223	1.1051	0.9212
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	0.0003	1.7498
DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	0.9587	1.0310
D-Glucose oxime	0.0006	1.7496
D-Glutamine	0.0001	1.7499
D-Glutamine +7.103	1.0000	1.0000
DG(O-16:0/18:1(9Z))	0.0012	1.7491
D-?-Hydroxyglutaric acid	0.0001	1.7500
Di(2-ethylhexyl) adipate	1.1342	0.8994
Diacetyl	1.5172	0.6121
Diacetyl +7.476	0.0002	1.7499
Diallyl Sulfide	0.8498	1.1127
Diaziquone	0.0006	1.7496
Dibekacin	1.0000	1.0000
Dibekacin +3.748	1.0000	1.0000
DIBOA	0.0002	1.7499
Dibutyl succinate	1.2416	0.8188
Dicyclohexylamine	1.0000	1.0000
Di-demethylcitalopram	2.3327	0.0004
Didesmethylpheniramine	2.3329	0.0004
Diethofencarb	1.0000	1.0000
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate	1.0000	1.0000
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +6.216	1.0000	1.0000
Diethylcarbamazine	1.0000	1.0000
Diethylcarbamazine +4.625	1.0000	1.0000
Diethylcarbamazine N-Oxide	1.0000	1.0000
Diethylene glycol	0.9122	1.0659
Diethylene glycol +1.1946666	0.0004	1.7497
Diethylene glycol +7.8655	0.0001	1.7499
Diethyl Oxalpropionate	1.0000	1.0000
Diethylstilbestrol diphosphate	2.3318	0.0011
Difenoxuron	0.0008	1.7494
diginatigenin	1.0000	1.0000
Digitoxigenin	1.0000	1.0000
Dihomo-PGI2	1.0000	1.0000
Dihydro-7-Desacetyldeoxygedunin	1.0000	1.0000
Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene	1.0000	1.0000
Dihydrocelastryl Diacetate	1.0000	1.0000
dihydro-?-ergocryptine	0.0005	1.7496
Dihydrojasmonic Acid, Methyl Ester	1.1736	0.8698
Dihydromacarpine	0.0008	1.7494
Dihydropicromycin	1.0000	1.0000
Dihydroxycarteolol M2	0.0009	1.7493
Dihydroxycarteolol M2 +1.9895	1.0000	1.0000
Dihydroxycarteolol M2 +2.7813077	0.0005	1.7496
Dihydroxycarteolol M2 +2.9596314	0.6320	1.2760
Dihydroxycarteolol M2 +3.3627002	1.0000	1.0000
Dihydroxycarteolol M2 +3.5043528	0.7557	1.1832
Dihydroxycarteolol M2 +6.346333	1.0000	1.0000
Dihydroxycarteolol M2 +6.4651003	1.0000	1.0000
Dihydroxycarteolol M2 +6.5735	1.0000	1.0000
Dihydroxymelphalan	1.0000	1.0000
Dihydroxymelphalan +2.9492	1.0000	1.0000
Dihydroxymelphalan +7.2174997	1.0000	1.0000
Dihydroxymelphalan +7.351	1.0000	1.0000
Dihydrozeatin	0.0002	1.7498
Diisobutyl phthalate	1.0996	0.9253
Diisopropyl sulfate	1.0000	1.0000
Diisopropyl sulfate +1.59	1.0000	1.0000
Dikegulac	0.0011	1.7492
DIMBOA	0.0013	1.7490
Dimebolin	1.0000	1.0000
Dimebolin +1.339	1.0000	1.0000
Dimepiperate	1.0000	1.0000
Dimetacrine	1.0000	1.0000
Dimethachlor	0.0001	1.7499
Dimethachlor +4.159	1.0000	1.0000
Dimethylaminoethyl reserpilinate	0.0010	1.7492
Dimethylaminoethyl reserpilinate +1.4954	1.5014	0.6240
Dimethylaminoethyl reserpilinate +6.059	1.0000	1.0000
Dimethylaminoethyl reserpilinate +6.198667	1.0000	1.0000
Diminazene	1.0000	1.0000
Dinocton 6	0.0005	1.7496
Dinoflagellate luciferin	0.8479	1.1140
Dinoflagellate luciferin +1.4595001	1.0000	1.0000
Dinoflagellate luciferin +1.464	1.0000	1.0000
Dinoflagellate luciferin +2.2424998	2.3331	0.0002
Dinoflagellate luciferin +2.467	1.0000	1.0000
Dinoflagellate luciferin +2.828	1.0000	1.0000
Dinoflagellate luciferin +5.998	0.0007	1.7495
Dinotefuran	1.3946	0.7040
Di-n-propylphthalate	1.0000	1.0000
Di-n-propylphthalate +8.018231	1.0000	1.0000
Dioscorine	0.0002	1.7498
Dioxacarb	0.0010	1.7492
Dioxacarb +1.3212858	0.0001	1.7499
Diphenidol	1.0000	1.0000
Diphenylcarbazide	0.6762	1.2429
Diphenylcarbazide +1.3025	1.0000	1.0000
Diphenylcarbazide +1.5233334	0.0002	1.7499
Dipropetryn	0.8227	1.1330
Disinomenine	0.0013	1.7490
Dithiopyr	1.0000	1.0000
Divinylchlorophyll a	1.0000	1.0000
DL-Cycloserine	1.0000	1.0000
DL-Methionine sulfoxide	1.0000	1.0000
DMPO	0.9922	1.0059
DMPO +1.6536001	0.9961	1.0029
DMPO +6.4671817	0.9779	1.0166
DMXB-A	1.0000	1.0000
D-Mycinose	1.0000	1.0000
D-Mycinose +1.374	1.0000	1.0000
Docosahexaenoyl Serotonin	1.3911	0.7067
Docosahexaenoyl Serotonin +1.1835	1.0000	1.0000
Dodeca-2(e),4(e)-dienoic acid isobutylamide	1.0000	1.0000
dodecanamide	0.8213	1.1340
dodecanamide +3.885	1.0000	1.0000
Dodecanol	1.0000	1.0000
Doisynoestrol	2.3326	0.0006
Doisynoestrol +2.0085	2.3323	0.0008
Dolichotheline	0.0001	1.7499
dolichyl D-xylosyl phosphates	1.0000	1.0000
Dopamine glucuronide	1.0000	1.0000
Dopamine glucuronide +6.818	1.0000	1.0000
Dopamine quinone	2.3318	0.0012
Doxepin	0.0001	1.7499
D-Phenyllactic acid	0.0002	1.7498
DPPP	1.0000	1.0000
D-Ribose 1-diphosphate	1.0000	1.0000
D-Thevetose	1.0000	1.0000
(E)-2-Butenyl-4-methyl-threonine	2.3327	0.0005
(E)-2-Butenyl-4-methyl-threonine +1.5274118	0.8015	1.1489
(E)-2-Butenyl-4-methyl-threonine +6.1094995	1.0000	1.0000
(E)-2-Butenyl-4-methyl-threonine +6.1850004	1.0000	1.0000
(E)-2-Butenyl-4-methyl-threonine +6.328	1.0000	1.0000
(E)-2-Butenyl-4-methyl-threonine +6.633	1.0000	1.0000
E-64	0.9389	1.0459
E-64c	1.0000	1.0000
Echitovenine	0.0001	1.7499
Echitovenine +1.4015001	1.0000	1.0000
Ectocarpen	1.5971	0.5522
Ectoine	1.0000	1.0000
Eicosapentaenoic Acid ethyl ester	1.0000	1.0000
Elaeokanine C	0.0005	1.7496
Elaidic carnitine	1.0000	1.0000
Elastin	1.0000	1.0000
Elastin +6.5476665	2.3325	0.0006
emedastine	0.0004	1.7497
emedastine +1.226	2.3320	0.0010
Emopamil	0.0006	1.7495
Emtricitabine	0.0004	1.7497
Enalaprilat	1.0000	1.0000
Endothal	1.0000	1.0000
Enicoflavine	0.0005	1.7496
Enicoflavine +6.347	1.0000	1.0000
Enigmol	1.0555	0.9583
ent-8-iso Prostaglandin F2?	1.0000	1.0000
ent-Corey PG-Lactone Diol	2.3330	0.0003
ent-Corey PG-Lactone Diol +1.283	1.0000	1.0000
ent-Corey PG-Lactone Diol +1.6730001	1.0000	1.0000
ent-PGD2	1.0000	1.0000
EPA	1.0000	1.0000
Ephedroxane	1.0000	1.0000
Epinine	0.0002	1.7498
Epithienamycin B	0.0004	1.7497
Epothilone C	0.9652	1.0261
epothilone D	1.0000	1.0000
Epoxy (4,5?)-4,5-Dihydrosantonin	1.0000	1.0000
Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-	1.0000	1.0000
Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-	1.0000	1.0000
ergosta-3beta,5alpha,6beta,25-tetrol	1.0000	1.0000
Erybraedin E	1.0000	1.0000
Erysonine	1.0000	1.0000
Erythrohydrobupropion	0.0001	1.7499
Erythrohydrobupropion +4.105	0.0000	1.7500
Erythroxanthin	2.3319	0.0010
Escitalopram	2.3332	0.0001
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	1.1606	0.8796
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.1263334	0.0002	1.7499
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +1.15105	0.0000	1.7500
Estradiol-17-phenylpropionate	1.0000	1.0000
Estradiol Cypionate	2.3322	0.0008
Ethambutol	1.0000	1.0000
Ethambutol aldehyde	0.8881	1.0839
Ethambutol aldehyde +6.626	1.0000	1.0000
Ethiolate	1.0000	1.0000
Ethopropazine	1.0000	1.0000
Ethosuximide	2.3327	0.0005
Ethyl 3-(N-butylacetamido)propionate	2.3328	0.0004
Ethyl 3-(N-butylacetamido)propionate +1.1513333	1.0000	1.0000
Ethyl 3-(N-butylacetamido)propionate +1.529	1.0000	1.0000
Ethyl 3-(N-butylacetamido)propionate +6.391	1.0000	1.0000
Ethyldimethylaminopropyl Carbodiimide	2.3328	0.0004
Ethyl-imidazole carboxylate	1.0000	1.0000
Ethyl-imidazole carboxylate +7.343	2.3332	0.0001
Ethyl isobutyl ketone	1.0000	1.0000
Ethyl isobutyl ketone +1.161	1.0000	1.0000
Ethylketocyclazocine	0.0003	1.7497
Ethyl-p-coumarate	1.0000	1.0000
Ethyl syringate	2.3326	0.0005
Ethyl syringate +1.6365	0.0008	1.7494
Ethyl syringate +2.899	1.0000	1.0000
Evadol	1.8042	0.3969
Evadol +1.311	1.0000	1.0000
Evasterioside C	0.4834	1.3874
Evasterioside C +3.553	1.0000	1.0000
F4-Neuroprostane (7-series)	0.9506	1.0371
Fabianine	1.0000	1.0000
Fagomine	1.0000	1.0000
Fagomine +4.182	0.0005	1.7496
Fagomine +6.134	1.0000	1.0000
Fagomine +6.5762496	1.0379	0.9716
Fagomine +6.806	1.0000	1.0000
Fampridine	1.0000	1.0000
Fampridine +5.4175	0.0003	1.7498
Fampridine +7.45975	0.0000	1.7500
Farfugin A	0.0009	1.7493
Farfugin A +4.456	0.0006	1.7495
Farnesyl Thiosalicylic Acid	1.0000	1.0000
Fasoracetam	1.0000	1.0000
Felbamate	1.0000	1.0000
Fenhexamid	0.0006	1.7495
Fenothiocarb sulfoxide	1.0000	1.0000
Fenuron	1.0000	1.0000
Fenuron +4.74	0.0006	1.7496
Fenuron +4.7846665	0.2988	1.5259
Ferimzone	0.0011	1.7492
Ferimzone +1.181	1.0000	1.0000
Feruloylagmatine	2.3320	0.0010
Fibrin	0.4597	1.4052
Fibrin +6.254	1.0000	1.0000
Filicin	0.0011	1.7492
Flavoxate	2.3333	0.0001
Fluenetil	0.0002	1.7499
flumethasone pivalate	1.0000	1.0000
flumethasone pivalate +1.112	1.0000	1.0000
flumethasone pivalate +3.5254998	0.0002	1.7498
Flupenthixol-O-glucuronide	1.0000	1.0000
Flupenthixol-O-glucuronide +6.056	2.3326	0.0006
Flupenthixol sulfoxide	1.0000	1.0000
Fluridone	1.0000	1.0000
Flutolanil	0.0004	1.7497
Flutolanil +1.998	1.0000	1.0000
Flutolanil +2.002	0.0002	1.7499
Flutriafol	1.0000	1.0000
Flutriafol +2.379	1.0000	1.0000
Fluvoxamine	0.2659	1.5506
Fluvoxamine +2.091909	0.4907	1.3819
Fluvoxamine +6.495	1.0000	1.0000
Formyl-5-hydroxykynurenamine	2.3326	0.0006
Formyldienolone	0.0009	1.7493
Fortimicin AP	1.0000	1.0000
Fructoselysine	1.0000	1.0000
FTY720 phenoxy-biotin	1.0000	1.0000
Fuberidazole	1.0000	1.0000
Fulvine	1.0000	1.0000
Fumonisin A1	0.0004	1.7497
Funtumine	0.0013	1.7490
Furafylline	1.0000	1.0000
Furafylline +2.663	2.3329	0.0003
Furan	1.0000	1.0000
Furanodienone	1.0000	1.0000
Furanodienone +2.095	1.0000	1.0000
Furathiocarb	0.0009	1.7493
Furfural	1.0000	1.0000
Furfural +2.294	1.0000	1.0000
Furfural diethyl acetal	1.0000	1.0000
Fursultiamine	1.0000	1.0000
Fusicoccin A	1.0000	1.0000
Fusicoccin A +2.347	1.0000	1.0000
Fusicoccin H	1.0000	1.0000
Fusicoccin H +2.313	1.0000	1.0000
(-)-Fusicoplagin A	1.0000	1.0000
GA	0.0003	1.7498
GA +3.034	1.0000	1.0000
Gabaculine	0.0001	1.7499
Gabaculine +6.105	1.0000	1.0000
Gabaculine +6.205666	1.0000	1.0000
Gabaculine +6.226	1.0000	1.0000
Gabaculine +6.4	0.0004	1.7497
Gabaculine +6.532	1.0000	1.0000
Gabapentin	0.0001	1.7499
Gabapentin +1.3032693	1.3470	0.7398
Gabapentin +1.558	1.0000	1.0000
Gabapentin +1.61	1.0000	1.0000
Gabunine	0.0011	1.7492
Galanthamine	1.0000	1.0000
GDP-D-glycero-alpha-D-manno-heptose	1.0000	1.0000
Gemfibrozil, metabolite II	1.0000	1.0000
Gentamicin C1a	1.0000	1.0000
Gentamicin C1a +2.6593335	0.0004	1.7497
Gentamicin C1a +3.491875	0.0001	1.7499
Gentamicin C1a +3.549727	0.0001	1.7499
Gentamicin C1a +3.736	0.0014	1.7490
gibberellin A17	0.0012	1.7491
Gibberellin A9	2.3328	0.0004
Gingerdione	2.3325	0.0006
Girgensonine	1.0000	1.0000
Glabric acid	1.0000	1.0000
GlcCer(d18:2/20:0)	1.8819	0.3386
Gliquidone	1.0000	1.0000
Gliquidone +1.6873001	0.6177	1.2867
Gliquidone +1.8444546	1.7561	0.4329
Gln Asn Tyr	0.0013	1.7490
Gln Gln Ile	0.8104	1.1422
Gln Ile Glu	1.0000	1.0000
Gln Lys Ile	0.9823	1.0133
Gln Trp Ser	2.3318	0.0011
Gln Trp Val	2.3320	0.0010
Gloriosine	2.3325	0.0006
Glu Ala Ala	1.0000	1.0000
Glu Gln	1.0000	1.0000
Glu Gln +7.4525	1.0000	1.0000
Glu Gln +7.7097497	2.3324	0.0007
Glu Gln +7.8304996	1.0000	1.0000
Glu Ile	1.0000	1.0000
Glu-P-2	1.0000	1.0000
?-Glutamyl-?-aminobutyraldehyde	1.0000	1.0000
?-Glutamyl-?-aminobutyraldehyde +3.302	1.0000	1.0000
?-Glutamyl-?-aminopropiononitrile	0.0012	1.7491
?-Glutamyl-?-cyanoalanine	0.9554	1.0335
Gly Asp Arg	0.2037	1.5972
Glycidyl oleate	1.0000	1.0000
Glycolic acid	0.0002	1.7498
Glycyl-L-leucine	1.1445	0.8916
Glycyl-L-leucine +6.57725	0.9675	1.0244
Glycyl-L-leucine +6.7	2.3330	0.0003
Glycyl-L-leucine +7.643	1.0000	1.0000
Glycyl-L-leucine +7.7197585	1.6253	0.5310
Gly Ile Ala	1.0000	1.0000
Gly Ile Ala +7.887	1.0000	1.0000
Gly Leu Leu	0.0012	1.7491
Gly Leu Leu +6.274	1.0000	1.0000
Gly Met Trp	0.0011	1.7492
Gly Phe	1.0000	1.0000
Gly Phe +2.118	1.0000	1.0000
Gly Phe +7.552	2.3325	0.0006
Gly Phe Val	1.0000	1.0000
Gly Pro Ala	1.0000	1.0000
Gly Thr Lys	1.0000	1.0000
Gly Tyr Asp	0.0008	1.7494
Gly Val Met	1.0000	1.0000
Gly Val Trp	0.2838	1.5372
Goniothalenol	1.0000	1.0000
Gossypetin 8-glucuronide	0.0005	1.7496
Gossypetin 8-glucuronide +2.764	1.0000	1.0000
Gossypetin 8-glucuronide +2.8433332	1.0000	1.0000
Gramine	0.0005	1.7496
Gramine +5.8650002	0.0001	1.7499
Granisetron	2.3327	0.0005
Granisetron +3.0314999	2.3327	0.0005
Granisetron metabolite 1	1.0000	1.0000
Granisetron metabolite 3	2.3315	0.0014
Graphinone	1.0000	1.0000
Graphinone +5.40575	2.3328	0.0004
Grayanotoxin I	0.0005	1.7496
Guanethidine	1.0000	1.0000
Gymnemic acid I	0.6465	1.2651
Halaminol A	0.7159	1.2131
Halaminol A +1.181	1.0000	1.0000
Halaminol A +3.7841666	2.3325	0.0006
Halfordinol	0.0005	1.7496
Harmaline	1.0000	1.0000
Harzianopyridone	1.0000	1.0000
Harzianopyridone +7.031	1.0000	1.0000
Harzianopyridone +7.529	1.0000	1.0000
HC Blue No.1	1.0000	1.0000
HC Red No. 3	1.0000	1.0000
HC Yellow No. 4	1.0000	1.0000
Hecogenin Acetate	0.0007	1.7495
Hecogenin Acetate +1.846	1.0000	1.0000
Hematoporphyrin	0.0004	1.7497
Hemigossypol	0.8223	1.1333
Heptabarbital	1.0000	1.0000
Heptaminol	0.8477	1.1142
Heptanoic acid	0.0012	1.7491
Herbimycin	1.0000	1.0000
Heritonin	1.0000	1.0000
hexadeca-7,11-dien-1-ol	0.0006	1.7495
?-Hexalactone	0.9714	1.0215
?-Hexalactone +1.1411667	0.6106	1.2921
?-Hexalactone +1.1795	0.0007	1.7494
?-Hexalactone +1.392	1.0000	1.0000
Hexanoylglycine	2.3326	0.0005
Hexanoylglycine +1.318	1.0000	1.0000
Hexanoylglycine +6.0629997	1.0000	1.0000
Hexanoylglycine +6.257875	1.0000	1.0000
Hexazinone	1.0000	1.0000
Hexylamine	0.6645	1.2516
Hildgardtene	0.0007	1.7495
Hinokitiol glucoside	1.0000	1.0000
Hippuric acid	1.0000	1.0000
Hippuric acid +1.949	1.0000	1.0000
Hippurin-1	0.0005	1.7496
His Ala	1.0000	1.0000
His Arg	2.3330	0.0002
His Gly Pro	1.0000	1.0000
His Lys	0.0006	1.7495
His Lys +2.39	2.3319	0.0011
His Lys +2.8639998	1.0000	1.0000
His Lys +2.927	1.0000	1.0000
His Lys +6.072	1.0000	1.0000
His Lys Met	1.0000	1.0000
His Lys Pro	2.3327	0.0005
His Pro	0.5306	1.3521
His Pro +6.0646667	1.0529	0.9603
His Pro +6.7775	1.0000	1.0000
Histamine	2.3332	0.0001
Histidylleucine	1.0000	1.0000
Histidylleucine +2.924	0.0002	1.7498
Histidylleucine +6.61	1.0000	1.0000
Hodgkinsine	1.0000	1.0000
Homaline	0.0001	1.7499
Homatropine	1.6912	0.4816
Homatropine +1.3785001	2.3317	0.0012
Homatropine +4.5395	2.3326	0.0006
Homoanserine	0.0007	1.7495
Homochelidonine	1.0145	0.9891
Homocysteinesulfinic acid	1.0000	1.0000
Homocystine	0.0011	1.7492
Homovanillyl alcohol	1.0000	1.0000
Hydrouracil (Dihydrothymine)	1.0000	1.0000
Hydroxybupropion	1.0000	1.0000
Hydroxychloroquine	1.0000	1.0000
Hydroxylysine	1.0000	1.0000
Hydroxymelphalan	1.0000	1.0000
Hydroxyphenoxyethylaminohydroxypropanol	1.0000	1.0000
Hydroxyphenoxyethylaminohydroxypropanol +1.6329999	1.0000	1.0000
Hydroxyphenoxyethylaminohydroxypropanol +2.6581998	0.0008	1.7494
Hydroxyphenoxyethylaminohydroxypropanol +6.7525	1.0000	1.0000
Hydroxyphenoxyethylaminohydroxypropanol +7.7405	2.3333	0.0000
Hydroxyphenoxyethylaminohydroxypropanol +7.949333	2.3333	0.0001
Hydroxythiopental	0.0002	1.7499
Hydroxythiopental +4.89075	0.0000	1.7500
(-)-Hygroline	0.9287	1.0535
(-)-Hygroline +5.039	1.0000	1.0000
Hygromycin B	1.0000	1.0000
Hymenoflorin	1.2850	0.7863
Hymenoxon	1.0000	1.0000
Hypaphorine	1.0000	1.0000
Hypericin	2.3319	0.0010
Hypoxanthine	1.0000	1.0000
Hypusine	1.0000	1.0000
(±)-Ibuprofen	1.0000	1.0000
(±)-Ibuprofen +1.336	1.0000	1.0000
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)	1.0000	1.0000
Ile Phe	1.0000	1.0000
Ile Val Asp	1.0000	1.0000
Ilexolide A	1.0000	1.0000
Imidazoleacetic acid	0.0001	1.7499
Immepip	0.9651	1.0262
Immepip +9.62	1.0000	1.0000
Indican	1.0000	1.0000
Indicumenone	1.0000	1.0000
Indicumenone +1.205	1.0000	1.0000
Indicumenone +1.2546666	1.3538	0.7347
Indicumenone +1.57525	0.0002	1.7498
Indicumenone +6.492	1.0000	1.0000
Indole-3-acetaldoxime N-oxide	0.0006	1.7495
Indole-3-carboxaldehyde	1.0000	1.0000
Indoleacrylic acid	1.0000	1.0000
Ipconazole	0.0008	1.7494
Ipecac (Psychotrine)	1.0000	1.0000
Iprovalicarb	1.0000	1.0000
Iprovalicarb +7.3225	0.0003	1.7498
Iretol	1.0000	1.0000
Iridotrial glucoside	2.3319	0.0011
Irinotecan	0.0003	1.7498
Irinotecan +1.85	1.0000	1.0000
Isobutylmethylxanthine	1.0000	1.0000
Isobutylmethylxanthine +1.3425	0.8259	1.1306
Isobutyrylglycine	0.9332	1.0501
Isobutyrylglycine +2.719	1.0000	1.0000
Isobutyrylglycine +6.278	0.0001	1.7499
Isocarbamid	0.4001	1.4499
Isocarbamid +3.934	2.3322	0.0009
iso-Debromo-laurinterol	1.0000	1.0000
Isodomoic acid A	0.7431	1.1927
Isodomoic acid A +1.5122	2.3329	0.0003
Isofebrifugine	1.7059	0.4706
Isofebrifugine +2.393	1.0000	1.0000
Isofenphos	0.0006	1.7495
Isoguanosine	1.2542	0.8093
Isonicotineamide	0.5508	1.3369
Isonicotineamide +1.7034	0.9569	1.0323
isopimara-7,15-dienal	1.0000	1.0000
Isopratol	1.0000	1.0000
Isopropenylacetic acid	1.0000	1.0000
Isopropenylacetic acid +1.1948572	0.0005	1.7496
Isoproturon	1.0000	1.0000
Isoproturon +6.456	1.0000	1.0000
Isoquinoline N-oxide	1.0000	1.0000
Isorhamnetin 3-glucosyl-(1-6)-galactoside-7-glucoside	1.0000	1.0000
Isouron	1.1869	0.8599
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)	0.0005	1.7496
Istamycin AO	0.0001	1.7500
Istamycin AO +5.0875	1.0000	1.0000
Istamycin C1	0.3436	1.4923
I-Urobilin	1.0508	0.9619
I-Urobilin +1.225	1.0000	1.0000
I-Urobilin +1.4086	0.0001	1.7499
I-Urobilin +1.4405385	1.2656	0.8008
I-Urobilin +2.145	1.0000	1.0000
I-Urobilin +2.2350001	0.0008	1.7494
I-Urobilin +2.394	1.1646	0.8766
I-Urobilin +5.992819	0.5861	1.3104
I-Urobilin +6.068	1.0000	1.0000
Ivermectin B1a	1.0000	1.0000
Ivermectin B1a +2.617	1.0000	1.0000
Jasplakinolide	1.0000	1.0000
Juvabione	0.0005	1.7496
Juvabione +6.4171996	1.0000	1.0000
JWH 018 2-hydroxyindole metabolite	0.0012	1.7491
JWH 018 N-(5-hydroxypentyl) metabolite	0.0006	1.7495
JWH 073 2-hydroxyindole	0.0014	1.7490
JWH 251	1.0000	1.0000
Kaempferol 3-(2^^^^-sinapylglucosyl)(1-4)(6^^^-sinapylglucosyl)(1-2)-galactoside	1.0000	1.0000
Kaempferol 3-apioside-7-rhamnosyl-(1-6)-(2^^-(E)-caffeoylglactoside)	1.0000	1.0000
Kanakugiol	0.8637	1.1022
(-)-Kanshone A	1.0000	1.0000
(-)-Kanshone A +1.2325	1.0000	1.0000
Karakoline	1.0000	1.0000
Karanjachromene	1.0000	1.0000
Karbutilate	1.0000	1.0000
Karwinaphthol B	1.0000	1.0000
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	0.0011	1.7492
Kentsin	0.0013	1.7490
Ketamine	0.0005	1.7496
Kukoamine D	1.0000	1.0000
Kurilensoside G	2.3323	0.0008
l-2-hydroxy-decanoic acid	0.8626	1.1031
l-2-hydroxy-decanoic acid +1.3299999	1.0000	1.0000
L-4-Hydroxy-3-methoxy-a-methylphenylalanine	0.0013	1.7490
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.270333	1.0000	1.0000
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.613	0.0004	1.7497
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.6811996	1.0000	1.0000
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.785834	1.0000	1.0000
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +6.954	1.0000	1.0000
L-4-Hydroxy-3-methoxy-a-methylphenylalanine +7.3190002	1.0000	1.0000
Lactaroviolin	1.0000	1.0000
L-Adrenaline	0.5606	1.3296
L-Adrenaline +1.8383332	0.0004	1.7497
L-Adrenaline +2.018	1.0000	1.0000
L-Adrenaline +3.0802858	1.3726	0.7205
L-Adrenaline +3.188	1.0000	1.0000
L-Adrenaline +6.1095	1.0000	1.0000
L-Adrenaline +6.16	1.0000	1.0000
L-Alanine	1.3903	0.7073
L-Alanine +6.6338573	2.3330	0.0002
L-Alanine, N-propyl-	1.0057	0.9957
L-Alanine, N-propyl- +5.9496665	1.0961	0.9279
L-Alanine, N-propyl- +6.9719	0.7218	1.2087
Lanceotoxin A	0.2756	1.5433
Lanceotoxin A +1.675	1.0000	1.0000
Lanceotoxin A +1.8446666	2.3321	0.0009
Lanceotoxin B	0.0001	1.7499
Lanceotoxin B +2.773	1.0000	1.0000
Laserpitin	2.3327	0.0005
Laudanosine	0.0004	1.7497
Lauryl hydrogen sulfate	0.7787	1.1660
Lauryl hydrogen sulfate +1.211	1.0000	1.0000
L-beta-aspartyl-L-alanine	0.0001	1.7499
L-beta-aspartyl-L-alanine +2.147	0.0001	1.7499
L-Dopa	1.4605	0.6546
L-Dopa +2.865	0.0007	1.7494
L-Dopa +6.4378	0.0005	1.7497
Lentiginosine	1.0000	1.0000
Lentiginosine +1.216	1.0000	1.0000
Lentiginosine +1.3425	1.0000	1.0000
Lentiginosine +1.603111	1.0000	1.0000
Lentiginosine +1.7634287	1.0000	1.0000
Lentiginosine +6.376	1.0000	1.0000
Lentiginosine +6.9515	0.0002	1.7499
Leontiformine	2.3326	0.0006
Lepidissipyrone	1.0000	1.0000
Lepidissipyrone +5.579	1.0000	1.0000
Letrozole	1.0000	1.0000
Letrozole +1.257	1.0000	1.0000
Leu Ala	0.6769	1.2423
Leu Ala +3.6157498	1.0000	1.0000
Leu Ala +6.465889	2.3332	0.0001
Leu Ala +7.3465	0.7668	1.1749
Leu Ala +7.388334	2.3330	0.0002
Leu Ala +7.8645	1.1530	0.8852
Leu Ala His	0.0012	1.7491
Leu Asp	1.0000	1.0000
Leucomethylene blue (Reduced Methylene Blue)	0.0002	1.7498
Leucyl-leucine	1.0000	1.0000
Leu His Thr	0.0008	1.7494
Leukotriene F4	0.0001	1.7499
Leu Lys Tyr	0.0005	1.7496
Leupeptin	1.0000	1.0000
Leupeptin +1.1719999	0.0013	1.7490
Leupeptin +1.2569166	1.2460	0.8155
Leupeptin +1.3506	0.7852	1.1611
Leu-Val-OH	2.3318	0.0011
Levetiracetam	1.0000	1.0000
Levobunolol	1.0000	1.0000
Levofuraltadone	1.0000	1.0000
Levofuraltadone +3.7035	2.3327	0.0005
L-Glutamic acid dibutyl ester	1.0000	1.0000
L-Glutamic acid n-butyl ester	0.0007	1.7495
L-Glutamic acid n-butyl ester +1.175	0.0011	1.7492
L-glycyl-L-hydroxyproline	1.0000	1.0000
L-Histidinal	1.1052	0.9211
L-Histidinal +4.192	1.0000	1.0000
L-Histidinol	1.9220	0.3085
L-Homotyrosine	0.0003	1.7498
L-Homotyrosine +1.618	1.0000	1.0000
L-Homotyrosine +6.0679994	1.0000	1.0000
L-Homotyrosine +6.338	1.0000	1.0000
L-Homotyrosine +6.7163334	1.0000	1.0000
L-Homotyrosine +6.744867	0.0000	1.7500
Limocitrol 3-[alpha-L-arabinopyranosyl-(1-3)[galactosyl-(1-6)]-galactoside]	2.3316	0.0013
Limonene-1,2-epoxide	0.0001	1.7499
Limonene-1,2-epoxide +1.141909	1.8518	0.3612
Linoleamide	1.0000	1.0000
Linoleamide +1.1988064	1.0371	0.9722
Linoleamide +1.2476562	0.9555	1.0334
Linoleamide +4.9425	1.0000	1.0000
Linoleoyl Ethanolamide	1.4124	0.6907
Linoleoyl Ethanolamide +1.219	1.0000	1.0000
Liquiritigenin 7-apiofuranoside-4^-glucoside	1.0000	1.0000
Lisinopril	1.0000	1.0000
L-isoleucyl-L-proline	1.6698	0.4977
L-isoleucyl-L-proline +6.6362667	1.7507	0.4370
L-isoleucyl-L-proline +8.121401	2.3333	0.0000
L-isoleucyl-L-proline +8.3212	2.3333	0.0000
Lithocholate 3-O-glucuronide	1.0000	1.0000
Lithocholic acid glycine conjugate	1.0000	1.0000
lithocholic acid sulfate	0.0001	1.7499
lithocholic acid sulfate +6.186286	0.0001	1.7499
lithocholic acid sulfate +6.2339997	1.0000	1.0000
lithocholic acid sulfate +6.3030005	0.0005	1.7497
L-Lysine	2.3332	0.0001
L-Lysine +8.948	1.0000	1.0000
L-NIO	1.0000	1.0000
L-O-Methylthreonine	0.9719	1.0211
L-O-Methylthreonine +6.068	1.0000	1.0000
L-O-Methylthreonine +7.0216	0.0002	1.7499
Lophophorine	1.0000	1.0000
Lophophorine +3.607	1.0000	1.0000
Lophophorine +3.997	2.3317	0.0012
Loxtidine	1.0000	1.0000
L-Prolinamide	1.0000	1.0000
L-Prolinamide +6.06	0.0001	1.7499
L-Prolinamide +6.068	0.0001	1.7499
L-prolyl-L-glycine	1.8417	0.3687
L-prolyl-L-glycine +5.375	1.0000	1.0000
L-prolyl-L-proline	1.0329	0.9753
L-prolyl-L-proline +2.6462	1.0000	1.0000
L-prolyl-L-proline +2.828	1.0000	1.0000
Lucanthone	2.3326	0.0005
Lucidine B	0.0010	1.7492
Lumula	1.3428	0.7429
Lupanyl Acid	0.9881	1.0089
L-Urobilin	0.0844	1.6867
L-Urobilin +1.5038234	1.8396	0.3703
L-Urobilin +1.684	1.0000	1.0000
L-Urobilin +2.483	1.0000	1.0000
L-Urobilin +5.948929	0.0001	1.7499
L-Urobilin +6.068	1.0000	1.0000
L-Urobilinogen	1.2031	0.8476
L-Urobilinogen +2.104	1.0000	1.0000
L-Urobilinogen +6.666	1.0000	1.0000
Lycorine	1.0000	1.0000
Lyngbyatoxin	0.0005	1.7496
Lys Arg Arg	1.0000	1.0000
Lys Arg Arg +1.25	1.0000	1.0000
Lys Arg Ile	1.2505	0.8121
Lys Glu Gln	0.9348	1.0489
Lys Gly	1.0000	1.0000
Lys Gly +6.484	2.3316	0.0013
Lys His Leu	1.0000	1.0000
Lysine	0.0008	1.7494
Lys Lys Lys	0.0010	1.7492
Lys Lys Lys +1.227	2.3329	0.0004
Lys Lys Met	1.1652	0.8761
Lys Met Lys	1.0000	1.0000
LysoPC(14:1(9Z))	1.0000	1.0000
Lys Phe Gln	1.1808	0.8644
Lys Phe Gln +1.32425	1.6890	0.4833
Lys Phe Gln +1.35	1.0000	1.0000
Lys Ser Arg	1.2122	0.8408
Lys Thr Tyr	0.0001	1.7499
Lys Thr Tyr +2.895	1.0000	1.0000
Lys Thr Tyr +2.898	1.0000	1.0000
Lys Trp Ile	0.0011	1.7492
Lys Tyr Gly	1.0000	1.0000
Lys Tyr Gly +2.542	1.0000	1.0000
M 344	0.0006	1.7495
Maculosin	1.0000	1.0000
Madecassic Acid	1.0000	1.0000
Magnoshinin	1.4525	0.6606
Makisterone A	0.7107	1.2170
Makisterone A +1.48	1.0000	1.0000
Malyngamide C acetate	1.0000	1.0000
m-Aminophenol	0.0001	1.7499
m-Aminophenol +4.968	2.3325	0.0006
Mandelonitrile	1.0000	1.0000
?-Mangostin	1.0000	1.0000
MCI-186	0.4685	1.3987
Mebhydrolin	1.0000	1.0000
Mebhydrolin +8.612	1.0000	1.0000
Mebhydrolin +8.7225	0.0002	1.7499
Medroxyprogesterone glucuronide	0.0012	1.7491
Mefenacet	0.0002	1.7499
MEGA	0.0004	1.7497
meglumine	0.0000	1.7500
MeIQ	1.0000	1.0000
MeIQ +1.189	1.0000	1.0000
MeIQx	0.0003	1.7498
MeIQx +1.496	1.0000	1.0000
MeIQx +4.1850004	1.0000	1.0000
MeIQx +7.169	1.0000	1.0000
Melamine	1.0000	1.0000
Melibiose	1.3531	0.7352
Melithiazole E	0.0006	1.7496
Mepanipyrim	2.3318	0.0011
Meperidine (pethidine)	1.0000	1.0000
Mephenesin	1.1040	0.9220
Mepronil	1.0000	1.0000
Mequitazine	0.6461	1.2654
Mequitazine +3.0796363	0.5033	1.3725
Mequitazine +3.5794995	0.7658	1.1756
Mequitazine +3.7178462	0.8165	1.1376
Meradimate	1.0000	1.0000
Mescaline	0.7452	1.1911
Mescaline +1.457	2.3329	0.0003
Mescaline +1.71	1.0000	1.0000
Mescaline +7.1555	1.0000	1.0000
Mesobilirubinogen	1.0000	1.0000
Mesobilirubinogen +1.4195	1.7522	0.4358
Mesobilirubinogen +1.4266667	2.3330	0.0002
Mesobilirubinogen +1.447	2.3330	0.0002
Mesobilirubinogen +1.4568094	0.1471	1.6397
Mesobilirubinogen +1.605	1.0000	1.0000
Mesobilirubinogen +5.965881	0.5905	1.3072
Mesoporphyrin IX	1.0000	1.0000
Metabutethamine	1.0000	1.0000
Metabutethamine +6.25125	1.0000	1.0000
Metabutethamine +6.465	0.0013	1.7490
Metabutethamine +9.2465	0.0001	1.7499
Metabutethamine +9.304	1.0000	1.0000
Met Ala	0.0009	1.7493
Metalaxyl	1.0000	1.0000
Metalaxyl +4.684	2.3330	0.0003
Metalaxyl +6.3266664	1.0000	1.0000
Metalaxyl +6.623	1.0000	1.0000
Metamitron	2.3331	0.0002
Metamitron +1.0929999	1.0000	1.0000
Metamitron +1.813	0.0011	1.7492
Metamitron +6.552	1.0000	1.0000
Metanephrine	0.0005	1.7496
Met Asn	0.0007	1.7495
Meteloidine	0.0002	1.7498
Meteloidine +7.0105	0.0008	1.7494
Metergoline	0.7150	1.2138
Met Gln Gln	2.3323	0.0008
Methacholine	1.4888	0.6334
Methacholine +1.591	1.0000	1.0000
?methasone valerate	1.9003	0.3247
Methenamine	1.0000	1.0000
Methicillin	1.0000	1.0000
Methionine	0.0002	1.7498
Methitural	0.0001	1.7499
Methocarbamol	1.0000	1.0000
Methocarbamol +2.92	1.0000	1.0000
Methoxyhydroxymethylhydrocinnamic acid	0.0009	1.7493
Methsuximide	1.0000	1.0000
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate	0.0013	1.7490
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	0.0006	1.7496
methyl 13-sophorosyloxydocosanoate	1.0000	1.0000
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside	1.0000	1.0000
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +1.77	1.0000	1.0000
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	1.0000	1.0000
Methyl acetyl ricinoleate	1.1532	0.8851
Methyldopate	1.0000	1.0000
Methyldopate +6.6475	1.0000	1.0000
Methyldopate +6.8044996	1.0000	1.0000
Methyldopate +7.0251427	1.0000	1.0000
Methyldopexamine sulfate	1.0000	1.0000
Methyldopexamine sulfate +1.4518001	1.0603	0.9548
Methylenediurea	0.0002	1.7498
Methyl-L-NIO	0.0004	1.7497
Methyl o-methoxyhippuric acid	1.0000	1.0000
Methylone	0.0002	1.7498
Methylsulfomycin I	1.0000	1.0000
Methylthiobenzoylglycine	1.0000	1.0000
Methylthiouracil	0.0001	1.7499
Met Lys Pro	1.0000	1.0000
Metochlopramide	2.3330	0.0003
Met Thr	1.0000	1.0000
Mexacarbate	1.0000	1.0000
Mexacarbate +6.3808002	1.0000	1.0000
Mexacarbate +9.759	1.0000	1.0000
MG(0:0/18:0/0:0)	1.0164	0.9877
MG(0:0/20:3(11Z,14Z,17Z)/0:0)	1.0000	1.0000
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	0.0004	1.7497
MG(16:0/0:0/0:0)[rac]	1.0986	0.9261
MG(16:1(9Z)/0:0/0:0)	1.0000	1.0000
MG(18:0/0:0/0:0)	1.0000	1.0000
MG(18:1(9Z)/0:0/0:0)	0.0004	1.7497
MG(20:1(11Z)/0:0/0:0)	1.5852	0.5611
MG(22:1(13Z)/0:0/0:0)	1.6419	0.5186
MG(22:2(13Z,16Z)/0:0/0:0)	1.0000	1.0000
MGK 264	1.0000	1.0000
Micropine	1.0000	1.0000
MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-(dimethylphosp	2.3320	0.0010
MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26,	1.0000	1.0000
MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,27,27	0.6740	1.2445
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,	2.3323	0.0008
MID42020:26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26, +1.4843333	1.3081	0.7689
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27	1.7243	0.4568
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.318	1.0000	1.0000
MID42021:(22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27 +1.3370001	1.0886	0.9336
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homo	1.4424	0.6682
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol	0.0008	1.7494
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol +1.042	1.0000	1.0000
MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dimethylvitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26	1.0000	1.0000
MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27	1.0000	1.0000
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / (5E)-(3S)-1alpha,25-dihydr	1.0000	1.0000
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-	1.0000	1.0000
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D- +3.072	1.0000	1.0000
Midodrine	0.0005	1.7496
Midodrine +6.227	1.0000	1.0000
Mikanin 3-O-sulfate	1.0000	1.0000
Militarinone A	0.6219	1.2836
Militarinone B	2.3331	0.0001
Militarinone B +4.35	2.3331	0.0002
Miraxanthin-III	1.0000	1.0000
Mitragynine	0.3953	1.4535
Mitragynine +1.375	1.0000	1.0000
MK 886	1.0000	1.0000
ML-236C	1.0000	1.0000
Monalide	0.0004	1.7497
Monocerin	0.0007	1.7495
Monocrotaline	1.0000	1.0000
Monocrotaline +4.686	2.3320	0.0010
Monocrotaline +4.806	2.3325	0.0006
Monocyclic botryococcane	1.0000	1.0000
Monoethyl phthalate	1.0000	1.0000
MRE-269	1.3443	0.7418
MRE-269 +1.3205	0.8590	1.1057
MRE-269 +1.325591	1.3507	0.7370
Mucronine A	1.0000	1.0000
Mucronine B	1.0000	1.0000
Multifidol	0.7421	1.1935
Multiflorine	1.0000	1.0000
Muscimol	0.0000	1.7500
Muscimol +3.425	2.3328	0.0004
Muscimol +5.5670004	1.0000	1.0000
Muscimol +5.958375	1.0000	1.0000
Muscimol +6.011	1.0000	1.0000
Musk ambrette	1.0000	1.0000
Musk xylene	0.0000	1.7500
Mycobactin S	1.7044	0.4717
Mycolipenic acid (C25)	1.0000	1.0000
Mycophenolate mofetil	2.3330	0.0002
Mycosporine	0.3818	1.4636
Myristic Acid Alkyne	2.3327	0.0005
Myristic Acid Alkyne +7.699	1.0000	1.0000
N1,N12-Diacetylspermine	1.8842	0.3369
N1,N4-Diacetylsulfanilamide	1.0655	0.9509
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	1.3123	0.7658
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine +6.003	1.0000	1.0000
N2-Acetyl-L-aminoadipate	0.7856	1.1608
N2-Acetyl-L-ornithine	0.0002	1.7498
N2-Acetyl-L-ornithine +6.064	1.0000	1.0000
N2-(D-1-Carboxyethyl)-L-lysine	2.3330	0.0003
N-(3,4-Dichlorophenyl)-malonamate	2.3330	0.0002
N-(3-Indolylacetyl)-L-isoleucine	1.0000	1.0000
N-(3S-hydroxy-butanoyl)-homoserine lactone	0.0011	1.7492
N-(3S-hydroxydecanoyl)-L-serine	0.0013	1.7490
N-(3S-hydroxydecanoyl)-L-serine +9.627333	1.0000	1.0000
N-(4-benzenesulfonamide) arachidonoyl amine	0.0013	1.7491
N5-Ethyl-L-glutamine	0.0007	1.7495
N5-(L-1-Carboxyethyl)-L-ornithine	1.0000	1.0000
N6-(L-1,3-Dicarboxypropyl)-L-lysine	1.0000	1.0000
N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.863	1.0000	1.0000
N6-Methyl-2^-deoxyadenosine	1.0000	1.0000
N(6)-Methyllysine	0.0000	1.7500
N(6)-(Octanoyl)lysine	1.0000	1.0000
N(6)-(Octanoyl)lysine +6.592	1.0000	1.0000
N8-Acetylspermidine	1.0000	1.0000
N8-Acetylspermidine +8.93847	0.0000	1.7500
N8-Acetylspermidine +9.381	2.3327	0.0005
N-a-Acetylcitrulline	1.0000	1.0000
N-Acetyl-8-O-methyl-Neuraminic acid	2.3327	0.0005
N-Acetyl-aspartyl-glutamate	0.0006	1.7496
N-Acetyl-DL-methionine	0.0007	1.7495
N-Acetyl-D-phenylalanine	1.0000	1.0000
N-Acetyl-D-quinovosamine	0.5043	1.3718
N-Acetylimidazole	1.4723	0.6458
N-Acetylimidazole +3.9645	1.0000	1.0000
N-Acetylimidazole +4.021	1.0000	1.0000
N-Acetylimidazole +7.701	0.0003	1.7498
N?-Acetyl-L-arginine	1.5682	0.5739
N-Acetyl-L-glutamic acid	1.0000	1.0000
N-(Acetyloxy)benzenamine	0.0419	1.7186
N-Acetyl-p-benzoquinonimine	0.0001	1.7500
N-Acetylserine	0.0001	1.7499
N-Acetylserotonin	0.0004	1.7497
N-Acetylvanilalanine	1.0000	1.0000
Nafoxidine	0.9395	1.0454
Nafoxidine +5.652	1.0000	1.0000
Naloxol	0.0013	1.7490
N-alpha-Acetyl-L-2,4-diaminobutyrate	1.3127	0.7655
N-alpha-Acetyl-L-2,4-diaminobutyrate +2.5866666	1.0000	1.0000
N(alpha)-Benzyloxycarbonyl-L-leucine	1.0000	1.0000
N(alpha)-Benzyloxycarbonyl-L-leucine +6.272	0.0006	1.7496
N(alpha)-Benzyloxycarbonyl-L-leucine +6.433	1.0000	1.0000
N(alpha)-Benzyloxycarbonyl-L-leucine +6.9075003	0.0001	1.7499
N(alpha)-gamma-L-Glutamylhistamine	1.9695	0.2729
N(alpha)-gamma-L-Glutamylhistamine +3.2143333	1.0000	1.0000
N(alpha)-gamma-L-Glutamylhistamine +3.4955	1.0000	1.0000
Nap-Nap-OH	1.0000	1.0000
Nap-Nap-OH +3.0275002	1.0000	1.0000
N-arachidonoyl alanine	1.2383	0.8213
Narcissidine	0.0004	1.7497
NBD-FTY720 phenoxy	1.0000	1.0000
N-Benzylformamide	1.0000	1.0000
N-Benzyloxycarbonylglycine	1.0000	1.0000
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	0.0008	1.7494
n-Butyl-2-cyanoacrylate	1.0000	1.0000
n-Butyl-2-cyanoacrylate +6.556	1.0000	1.0000
n-Butylbenzene	1.5616	0.5788
N-Butylscopolamine metabolite	1.0000	1.0000
N-Carboxyethyl-?-aminobutyric acid	2.0646	0.2015
N-(Carboxymethyl)-D-alanine	0.0000	1.7500
N-(Carboxymethyl)-D-alanine +7.365	1.0000	1.0000
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone	1.0000	1.0000
N-Cyclohexylformamide	0.9451	1.0412
N-Cyclohexylformamide +5.6095	2.3332	0.0001
N-Cyclohexylformamide +6.3184285	0.2390	1.5707
N-decanoyl-L-Homoserine lactone	1.0861	0.9355
N-depyridomethyl-Indinavir	1.0000	1.0000
N-Desmethylclobazam	2.3330	0.0002
N-Desmethylnefopam glucuronide	1.0000	1.0000
N-Desmethyltolmetin	1.0000	1.0000
N-D-Ribosylpurine	1.0322	0.9759
N-D-Ribosylpurine +2.919	1.0000	1.0000
Nefopam	0.0003	1.7498
Neocnidilide	1.0000	1.0000
Neolinderatone	1.0000	1.0000
Neosakuranin	0.0007	1.7495
Neostigmine	1.0000	1.0000
Nerol	1.0000	1.0000
Netilmicin	0.3576	1.4818
NeuAcalpha2-3Galbeta-Cer(d18:1/26:1(17Z))	1.0000	1.0000
Neurodazine	0.0009	1.7493
Neurodazine +1.8585	1.0000	1.0000
Neurodazine +6.0594997	1.0000	1.0000
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	0.0004	1.7497
Ngamma-Nitro-L-arginine	0.0006	1.7496
N-Guanylhistamine	1.0000	1.0000
N-Guanylhistamine +5.958	1.0000	1.0000
NH-DVal(NMe)-Val-OMe	1.0000	1.0000
NH-DVal(NMe)-Val-OMe +5.679	1.0000	1.0000
NH-DVal(NMe)-Val-OMe +8.442	0.0004	1.7497
N-heptanoyl-homoserine lactone	1.0000	1.0000
N-heptanoyl-homoserine lactone +1.4219999	1.0000	1.0000
N-Histidyl-2-Aminonaphthalene (?NA)	1.0000	1.0000
N-Hydroxy-1-aminonaphthalene	2.3330	0.0002
N-Hydroxy-L-phenylalanine	1.0000	1.0000
N-Hydroxy-L-phenylalanine +1.236	1.0000	1.0000
N-Hydroxy-L-phenylalanine +1.4333999	0.0002	1.7498
N-Hydroxy-L-phenylalanine +1.676	1.0000	1.0000
N-Hydroxy-L-phenylalanine +1.965	1.0000	1.0000
N-Hydroxy-L-phenylalanine +2.5025	0.0004	1.7497
N-Hydroxy-L-phenylalanine +3.36275	1.0000	1.0000
N-Hydroxy-L-phenylalanine +3.506	1.1376	0.8968
N-Hydroxy-L-phenylalanine +3.58	0.0005	1.7497
N-Hydroxy-L-phenylalanine +6.0332	2.3328	0.0004
N-Hydroxy-L-phenylalanine +6.2246666	1.0000	1.0000
N-Hydroxy-L-phenylalanine +7.05725	1.0000	1.0000
N-Hydroxy-L-phenylalanine +7.1315002	0.4757	1.3932
N-Hydroxy-L-phenylalanine +8.614	1.0000	1.0000
N-Hydroxyl-tryptamine	1.0000	1.0000
N-Hydroxynorcocaine	0.0005	1.7496
N-Hydroxypentobarbital	1.0000	1.0000
N-Hydroxypentobarbital +6.8005	2.3321	0.0009
Nicotinamide riboside	1.0000	1.0000
Nicotinamide riboside +1.4165001	1.0000	1.0000
Nicotinamide riboside +1.7692499	1.0000	1.0000
Nicotinamide riboside +6.307	1.0000	1.0000
Nicotinate D-ribonucleoside	1.6816	0.4888
Nigakilactone A	1.0000	1.0000
Niguldipine	1.0000	1.0000
N-isovalerylglycine	0.7721	1.1709
N-isovalerylglycine +1.7674999	2.3321	0.0009
N-isovalerylglycine +5.842	2.3326	0.0006
N-isovalerylglycine +6.6409993	1.3307	0.7520
Nitramine	1.0000	1.0000
Nizatidine	1.0000	1.0000
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine	2.3332	0.0001
N-Methylanthranilic Acid	1.0000	1.0000
N-methyl-Gabapentin	0.0013	1.7491
N-methyl hexanamide	0.0001	1.7499
N-Methyltyramine	0.0001	1.7499
N-methylundec-10-enamide	0.7071	1.2196
N-methylundec-10-enamide +1.1404444	1.1451	0.8912
N-Monomethyl-2-aminoethylphosphonate	2.3319	0.0011
N,N-Diethylphenylacetamide	1.0000	1.0000
N,N-Diethylphenylacetamide +6.5725	1.0000	1.0000
N,N-Dihydroxy-L-phenylalanine	1.0000	1.0000
N,N-dimethylhistidine	1.0000	1.0000
N-Nitrosodiethylamine	1.4343	0.6743
N-Nitrosodiethylamine +6.187	1.0000	1.0000
N-Nitrosodi-n-butylamine	1.1159	0.9131
N-Nitrosodi-n-butylamine +5.868181	0.5054	1.3710
N-Nitrosodi-n-propylamine	2.3333	0.0000
N-Nitroso-N-ethylurea	0.0006	1.7496
N-Nitroso-N-methylurethane	2.3331	0.0002
N-nonanoyl-L-Homoserine lactone	0.0003	1.7498
N-nonanoyl-L-Homoserine lactone +7.087	1.0000	1.0000
Nobilin	0.0008	1.7494
N,O-Didesmethylvenlafaxine	1.0000	1.0000
N,O-Didesmethylvenlafaxine +1.245	1.0000	1.0000
N,O-Didesmethylvenlafaxine +4.611	0.0001	1.7499
N,O-Didesmethylverapamil	2.3331	0.0001
N-oleoyl ethanolamine	1.0000	1.0000
N-oleoyl GABA	1.6287	0.5285
N-oleoyl isoleucine	1.0000	1.0000
N-oleoyl phenylalanine	0.0006	1.7496
Nonanoyl-CoA	0.0010	1.7493
Nonanoyl-CoA +1.014	1.0000	1.0000
Nonate	1.0000	1.0000
Nonoxynol-9	0.0003	1.7498
Nordihydrocodeine	0.0012	1.7491
Nordihydrocodeine +1.438	2.3329	0.0003
Nordihydrocodeine +1.593	1.0000	1.0000
Nordihydrocodeine +1.631	1.0000	1.0000
Nordihydrocodeine +2.0882	1.0000	1.0000
Nordihydrocodeine +2.405	1.0000	1.0000
Normeperidinic acid glucuronide	0.0010	1.7492
Noroxymorphone	0.0002	1.7498
Noroxymorphone +2.2745	0.0004	1.7497
Noruron	2.3332	0.0001
Noruron +6.676	1.0000	1.0000
N-palmitoyl alanine	1.0000	1.0000
N-palmitoyl glutamine	1.0000	1.0000
N-palmitoyl glycine	1.0000	1.0000
N-palmitoyl phenylalanine	1.0000	1.0000
N-palmitoyl proline	2.3325	0.0007
N-palmitoyl threonine	1.0000	1.0000
N-palmitoyl tyrosine	2.3329	0.0003
N-pentadecanoyl-L-Homoserine lactone	0.6662	1.2503
n-Pentadecylamine	0.8614	1.1039
n-Pentadecylamine +4.1962	1.0000	1.0000
N-Phenyl-2-naphthylamine	1.0000	1.0000
N-stearoyl GABA	1.0000	1.0000
N-stearoyl proline	2.3324	0.0007
N-stearoyl tyrosine	0.0002	1.7498
N-stearoyl tyrosine +4.9166665	0.0005	1.7496
N-tridecanoyl-L-Homserine lactone	1.0000	1.0000
N-undecanoyl-L-Homoserine lactone	1.0000	1.0000
NVP-AEW541	2.3316	0.0013
O-Acetylhomoserine	1.0000	1.0000
O-Acetylhomoserine +2.481	0.0008	1.7494
O-Acetylserine	1.0000	1.0000
Obtusilic acid	1.2530	0.8102
Obtusilic acid +1.143	1.0000	1.0000
O-butanoyl-carnitine	2.3326	0.0005
Octanoic acid, 3-amino-, (1)-	1.4043	0.6967
Octanoic acid, 3-amino-, (1)- +10.194593	1.2946	0.7790
Octanoic acid, 3-amino-, (1)- +10.230333	0.0004	1.7497
Octylamine	1.0000	1.0000
Octylamine +4.388	1.0000	1.0000
O-Desmethylvenlafaxine	0.0001	1.7499
O-Desmethylverapamil	2.3333	0.0001
O-?-D-Xylosylzeatin	1.0000	1.0000
O-?-D-Xylosylzeatin +6.123	1.0000	1.0000
O-hexanoyl-R-carnitine	1.0000	1.0000
O-hexanoyl-R-carnitine +1.1413333	1.0000	1.0000
Okadaic acid	0.0005	1.7497
Olanzapine	1.0000	1.0000
Olanzapine +3.5809999	2.3330	0.0002
Olanzapine +4.1235	1.0000	1.0000
Olanzapine +4.129	1.0000	1.0000
Olanzapine +4.208	1.0000	1.0000
Olanzapine +4.27	1.0000	1.0000
Oleamide	1.0832	0.9376
Oleandrose	1.0000	1.0000
oleanolic acid 3-O-beta-D-glucosiduronic acid	1.0000	1.0000
Oleoyl Ethyl Amide	0.7717	1.1712
Oleoyl Ethyl Amide +1.1503334	0.0009	1.7493
Olomoucine	1.0000	1.0000
Olprinone	1.0000	1.0000
Omeprazole sulfide	0.0006	1.7496
Omeprazole sulfide +1.5044999	0.0003	1.7497
Ondansetron	0.0012	1.7491
Ophiopogonin B	1.1035	0.9224
O-propanoyl-carnitine	1.0000	1.0000
Ornaline	2.3328	0.0004
Ornithine	1.0000	1.0000
Orsellinic acid	1.0000	1.0000
Orsellinic acid +1.7	1.0000	1.0000
ortho-Aminoazotoluene	0.9498	1.0376
Orthoform	2.3330	0.0002
Orthoform +6.8174996	1.0000	1.0000
Orthothymotinic Acid	1.0000	1.0000
OTK	0.7848	1.1614
Otonecine	1.2222	0.8334
Otonecine +2.2245	1.0000	1.0000
Otonecine +2.363857	1.0000	1.0000
Oxamflatin	0.0007	1.7495
Oxandrolone	0.6142	1.2893
Oxethazaine	1.0000	1.0000
Oxfendazole	0.0006	1.7496
Oxidized dinoflagellate luciferin	0.0011	1.7492
Oxidized Latia luciferin	1.0000	1.0000
Oxidized Latia luciferin +8.955	1.0000	1.0000
PA(13:0/18:3(6Z,9Z,12Z))	1.0000	1.0000
PA(13:0/18:3(6Z,9Z,12Z)) +7.2623334	1.0000	1.0000
PA(13:0/18:4(6Z,9Z,12Z,15Z))	1.0000	1.0000
PA(14:0/12:0)	1.0000	1.0000
PA(17:0/22:0)	0.8947	1.0790
PA(18:2(9Z,12Z)/0:0)	0.0012	1.7491
PA(18:2(9Z,12Z)/12:0)	1.0000	1.0000
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	2.3315	0.0013
Palmitic amide	1.1814	0.8639
Palmitic amide +1.1666669	1.0268	0.9799
Palmitic amide +3.7223332	1.0000	1.0000
Palmitoyl dopamine	1.0000	1.0000
Palmitoyl N-Isopropylamide	2.3320	0.0010
Palmityl Trifluoromethyl Ketone	1.0000	1.0000
Palmityl Trifluoromethyl Ketone +1.11	1.0000	1.0000
Panaxynol	1.0000	1.0000
Pandamine	2.3328	0.0004
Pantetheine	2.3332	0.0001
Pantothenic Acid	0.8414	1.1190
PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.0000	1.0000
para-Benzoquinone dioxime	0.5917	1.3063
para-Benzoquinone dioxime +1.734	1.0000	1.0000
para-Benzoquinone dioxime +6.0573335	1.3544	0.7342
para-Cresidine	1.0000	1.0000
Paravallarine	1.0000	1.0000
Pargyline	1.0737	0.9447
Pargyline +5.717	1.0000	1.0000
Pargyline +6.3295	1.0000	1.0000
Patuletin 3-(2^^-feruloylglucosyl)-(1-6)-[apiosyl-(1-2)-glucoside]	1.0000	1.0000
p-Coumaroylputrescine	1.0000	1.0000
PE(16:1(9Z)/0:0)	0.0003	1.7498
PE(16:1(9Z)/0:0) +6.076	0.0005	1.7496
PE(16:1(9Z)/0:0) +6.1692	0.0004	1.7497
PE(17:2(9Z,12Z)/0:0)	1.0000	1.0000
PE(18:1(9Z)/0:0)	1.0000	1.0000
PE(18:3(9Z,12Z,15Z)/14:0)	0.0003	1.7498
PE(18:3(9Z,12Z,15Z)/14:0) +5.02965	1.0746	0.9440
PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1.6825	0.4881
PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))	1.1448	0.8914
PE(19:0/0:0)	0.0011	1.7492
PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	1.1020	0.9235
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	1.0000	1.0000
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.587	1.0000	1.0000
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +7.655143	1.1637	0.8773
PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1.0000	1.0000
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))	1.0000	1.0000
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) +2.706	1.0000	1.0000
PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))	1.0000	1.0000
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	0.5712	1.3216
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.378	1.0000	1.0000
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) +5.4258	0.0007	1.7495
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1.0000	1.0000
PE(9:0/9:0)[U]	0.0000	1.7500
PE(9:0/9:0)[U] +6.2961426	0.0001	1.7499
PE(9:0/9:0)[U] +6.3563333	0.0002	1.7498
PE(9:0/9:0)[U] +6.409	1.0000	1.0000
Pederin	0.0006	1.7495
Pefurazoate	0.0009	1.7493
Pelargonyl acetic acid	1.0000	1.0000
(-)-Pellotine	1.0000	1.0000
Penciclovir	1.0000	1.0000
Penicilloate	1.0000	1.0000
PE-NMe(O-14:0/O-14:0)	0.0012	1.7491
Pentacarboxyl porphyrinogen III	2.3328	0.0004
Pentahomomethionine	1.0000	1.0000
Pentetic acid	0.0006	1.7495
Pentobarbital	1.0000	1.0000
PE(O-16:0/18:3(9Z,12Z,15Z))	0.0006	1.7495
PE(O-18:0/0:0)	0.0008	1.7494
Perflubron	1.0351	0.9737
Perflubron +5.657	1.0000	1.0000
Perindoprilat lactam A	1.0000	1.0000
Perindoprilat lactam A +1.43	1.0000	1.0000
Perindoprilat lactam A +1.62	1.0000	1.0000
Perindoprilat lactam A +7.4085	1.0000	1.0000
Perindopril lactam	1.0000	1.0000
Perindopril lactam +7.535	1.0000	1.0000
PF-622	1.0000	1.0000
PG(12:0/15:0)	1.0274	0.9795
PG(12:0/17:0)	1.1645	0.8767
PG(12:0/17:0) +1.023	0.0001	1.7500
PG(12:0/19:0)	1.1112	0.9166
PG(12:0/20:4(5Z,8Z,11Z,14Z))	1.0000	1.0000
PG(14:0/18:3(9Z,12Z,15Z))	1.0000	1.0000
PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.3637	0.7272
PG(19:1(9Z)/0:0)	0.0009	1.7493
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1.1241	0.9069
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	1.0000	1.0000
PG(22:2(13Z,16Z)/0:0)	1.0000	1.0000
PG(O-20:0/0:0)	1.0000	1.0000
PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	2.3323	0.0008
Phalaenopsine T	0.0007	1.7495
Phe Ala Thr	1.0000	1.0000
Phe Cys	0.0004	1.7497
Phe Leu Glu	1.0000	1.0000
Phe Leu Glu +6.177	1.0000	1.0000
Phencyclidine	2.3331	0.0002
Phenformin	1.0000	1.0000
Phenformin +1.794	0.0013	1.7490
Phenicarbazide	1.0000	1.0000
Phenmedipham	0.7315	1.2014
Phenmedipham +1.451	0.0002	1.7499
Phenylacetylglycine dimethylamide	1.0000	1.0000
Phenylbutyrylglutamine	1.0000	1.0000
Phenylbutyrylglutamine +5.4903336	2.3330	0.0002
Phenylephrine 3-O-sulfate	1.0000	1.0000
?-PHENYL-gamma-Aminobutyric Acid	1.0000	1.0000
?-PHENYL-gamma-Aminobutyric Acid +1.4653333	2.0978	0.1766
?-PHENYL-gamma-Aminobutyric Acid +1.473	1.0000	1.0000
?-PHENYL-gamma-Aminobutyric Acid +5.30375	2.3321	0.0009
?-PHENYL-gamma-Aminobutyric Acid +6.8130007	1.0000	1.0000
?-PHENYL-gamma-Aminobutyric Acid +6.8700004	1.0000	1.0000
Phenyl glucuronide	0.8864	1.0852
Phenyl glucuronide +1.3334999	1.1388	0.8959
Phenylheptatriyne	1.0000	1.0000
Phenyltoloxamine	1.0000	1.0000
Phe Phe Gln	1.0000	1.0000
Phe Phe Gln +5.729	1.0000	1.0000
Phe Thr	1.0000	1.0000
Phe Thr Cys	0.0001	1.7499
Philanthotoxin	1.0000	1.0000
Phorbol 12-tiglate 13-decanoate	1.0000	1.0000
Phosphodimethylethanolamine	0.4299	1.4276
Phosphoenol-4-deoxy-3-tetrulosonate	1.0000	1.0000
Phosphohydroxypyruvic acid	0.0002	1.7498
p-Hydroxybenzyldesulphoglucosinolate	2.3326	0.0006
P-Hydroxydesmethylgliquidone	1.0000	1.0000
p-Hydroxydextroamphetamine	1.0000	1.0000
p-Hydroxygliquidone	1.0000	1.0000
p-Hydroxymexiletine	2.3320	0.0010
p-Hydroxynorpseudoephedrine	1.0000	1.0000
p-Hydroxynorpseudoephedrine +1.95375	1.0000	1.0000
p-Hydroxynorpseudoephedrine +3.0525715	0.0002	1.7499
p-Hydroxynorpseudoephedrine +3.6155	1.0000	1.0000
Phyllalbine	1.0000	1.0000
Phytophthora mating hormone alpha1	0.0012	1.7491
Phytuberin	2.3329	0.0003
PI(12:0/12:0)	0.5482	1.3389
PI(12:0/12:0) +1.555	1.0000	1.0000
PI(12:0/12:0) +1.632	1.0000	1.0000
PI(12:0/12:0) +7.3607993	1.0000	1.0000
PI(12:0/12:0) +7.3865004	1.0000	1.0000
PI(12:0/12:0) +7.574	1.0000	1.0000
PI(12:0/15:0)	0.0009	1.7493
PI(12:0/20:4(5Z,8Z,11Z,14Z))	1.0000	1.0000
PI(13:0/21:0)	1.0000	1.0000
PI(15:0/18:4(6Z,9Z,12Z,15Z))	1.5088	0.6184
PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.8701	0.3474
PI(18:0/16:1(9Z))	1.0000	1.0000
PI(22:0/18:3(9Z,12Z,15Z))	0.9745	1.0192
PI(22:1(11Z)/0:0)	0.0000	1.7500
PI(22:1(11Z)/0:0) +1.439	1.0000	1.0000
PI(22:1(11Z)/0:0) +1.522	1.0000	1.0000
PI(22:1(11Z)/0:0) +7.163	1.0000	1.0000
PI(22:1(11Z)/0:0) +7.175916	0.0000	1.7500
PI(22:1(11Z)/0:0) +7.267	1.0000	1.0000
PI(22:2(13Z,16Z)/0:0)	0.0006	1.7495
Picolinic acid	1.1867	0.8600
Picolinic acid +6.5986247	1.7232	0.4576
Picrasin A	1.0000	1.0000
Picrasin C	1.0000	1.0000
Picropodophyllotoxin Acetate	2.3320	0.0010
Pikromycin	1.0000	1.0000
Pikromycin +1.9025	1.0000	1.0000
Pikromycin +2.539	1.0000	1.0000
Pikromycin +3.2605	1.0000	1.0000
Pilosine	0.9435	1.0423
Pinacidil-N-Oxide	1.0000	1.0000
Pinidine	1.0000	1.0000
Pinidine +4.355	1.0000	1.0000
Pinnasterol	1.0000	1.0000
PI(O-16:0/16:0)	1.0000	1.0000
PIP(20:1(11Z)/18:2(9Z,12Z))	0.0010	1.7493
Piperideine	0.0002	1.7499
Piperidine	1.2857	0.7857
Piperidine +5.1966996	0.5780	1.3165
Piperidine +5.9224	0.0002	1.7498
Piperidine +6.033	1.0000	1.0000
Piperidine +6.3184996	0.0001	1.7500
Piperidine +8.457042	0.9343	1.0493
Piperidione	1.0483	0.9637
Piperidione +1.1708	0.9219	1.0586
Piperidione +2.4236667	2.0477	0.2142
Piperidione +2.718	0.6652	1.2511
Piperonyl sulfoxide	1.0000	1.0000
Piperyline	1.3884	0.7087
Piracetam	1.0000	1.0000
Piracetam +4.735	1.0000	1.0000
Pirbuterol	1.2944	0.7792
Pirbuterol +8.443	1.0000	1.0000
Pirenperone	1.0000	1.0000
Pirimicarb	0.8091	1.1432
p-Lactophenetide	2.3326	0.0005
p-Lactophenetide +6.3553	0.0004	1.7497
p-Lactophenetide +6.45775	1.0000	1.0000
p-Lactophenetide +6.542	1.0000	1.0000
Plastoquinol-9	0.0004	1.7497
Plastoquinone-1	0.0004	1.7497
Platydesmine	2.3326	0.0006
Pleurostyline	1.0000	1.0000
p-menthane skeleton	2.3322	0.0009
Polidocanol	0.0008	1.7494
Poloxalene	0.9418	1.0436
Polygonolide	1.0000	1.0000
Polygonolide +1.253	0.0004	1.7497
Polygonolide +1.7611666	1.0000	1.0000
Populin	1.0000	1.0000
Porphobilinogen	1.0000	1.0000
Powelline	1.5793	0.5655
Powelline +6.5831666	1.0000	1.0000
p-Phenetidine	0.8192	1.1356
Practolol	1.0000	1.0000
pregnan-21-ol	1.0000	1.0000
Presqualene diphosphate	1.0000	1.0000
Prilocaine	1.0000	1.0000
Proacacipetalin	1.0000	1.0000
Pro Ala Gln	1.0000	1.0000
Pro Arg Asn	0.9668	1.0249
Procaterol	0.8358	1.1232
Procaterol +1.2671667	1.5350	0.5988
Procaterol +7.166	1.0000	1.0000
Pro Glu	1.0000	1.0000
Pro Gly Ile	1.0000	1.0000
Pro Gly Phe	1.0000	1.0000
Pro His Glu	1.0000	1.0000
Prohydrojasmon	1.0000	1.0000
Prohydrojasmon +1.1158333	1.5562	0.5829
Prohydrojasmon +1.1356667	2.3326	0.0006
Pro Lys Ala	1.0000	1.0000
Pro Lys Ala +2.412	1.0000	1.0000
Pro Lys Gln	0.7850	1.1613
Pro Lys Gln +2.158	1.0000	1.0000
Promacyl	0.0005	1.7496
Promacyl +1.308	1.0000	1.0000
Promecarb	0.0003	1.7498
Pro Phe Tyr	1.0000	1.0000
Propicillan	0.0005	1.7496
Propiomazine	1.0000	1.0000
Propionyl-L-carnitine	2.3329	0.0003
Propoxur	1.0000	1.0000
Propoxur +1.261	1.0000	1.0000
Propoxur +1.4725001	1.0000	1.0000
Propoxur +1.7019999	1.0000	1.0000
Propoxur +6.72	1.0000	1.0000
Propoxur +7.089	0.0010	1.7492
Propranolol glucuronide	1.0000	1.0000
Pro Pro Lys	1.0000	1.0000
Propylthiouracil	1.0000	1.0000
Prosafrinine	1.0000	1.0000
Pro Ser Gly	1.0000	1.0000
Pro Ser Gly +6.4748883	1.0000	1.0000
Prosopinine	0.0002	1.7499
Prosopinine +1.1194999	1.0000	1.0000
Prostaglandin D2-biotin	1.0000	1.0000
Prostaglandin D2-biotin +4.314	1.0000	1.0000
Prostaglandin E2-biotin	1.0000	1.0000
Prothiocarb	1.0000	1.0000
Pro Val Asn	1.0000	1.0000
Pro Val Val	1.0000	1.0000
PS(18:0/0:0)	1.0000	1.0000
PS(18:0/0:0) +3.804	1.0000	1.0000
PS(19:0/0:0)	0.1599	1.6301
PS(19:0/0:0) +1.196	1.0000	1.0000
PS(19:0/0:0) +6.5103335	0.0000	1.7500
PS(19:0/0:0) +6.55025	1.0000	1.0000
PS(19:0/0:0) +6.774	0.0010	1.7493
PS(19:0/18:4(6Z,9Z,12Z,15Z))	0.0009	1.7493
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	2.3320	0.0010
PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	1.0000	1.0000
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1.0000	1.0000
PS(22:2(13Z,16Z)/0:0)	1.0000	1.0000
Pseudoephedrine	1.0000	1.0000
Pseudopelletierine	1.0991	0.9256
Psicofuranine	1.0000	1.0000
PSN632408	1.0000	1.0000
PS(O-20:0/0:0)	0.0860	1.6855
PS(O-20:0/0:0) +6.6311255	0.1264	1.6552
PS(P-16:0/0:0)	1.0000	1.0000
PS(P-16:0/17:2(9Z,12Z))	1.0000	1.0000
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.0000	1.0000
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.925	1.0000	1.0000
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +5.932143	1.0000	1.0000
PtdIns-(1,2-dihexanoyl)	1.0000	1.0000
Purine	0.0005	1.7496
Purpureacin-1	0.0003	1.7498
Pyocyanine	0.0005	1.7496
Pyriculol	1.0000	1.0000
Pyridostigmine	1.0000	1.0000
Pyrimidine	1.0000	1.0000
Pyrimidodiazepine	0.7317	1.2012
Pyrimidodiazepine +3.382	1.0000	1.0000
Pyroquilon	1.0000	1.0000
Quercetin 3-[6^^-(3-hydroxy-3-methylglutaryl)galactoside]	0.0005	1.7496
Quinagolide	1.6803	0.4898
Quinagolide +2.93	0.0007	1.7495
Quinamide Isopropylidene	1.0000	1.0000
Quinapril	1.0000	1.0000
QX-314	2.3315	0.0014
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	1.0000	1.0000
R-beta-methylphenylethylamine	1.0000	1.0000
R-beta-methylphenylethylamine +4.814	1.0000	1.0000
Reduced 2,6-Dichlorophenolindophenol	1.0000	1.0000
Remikiren	0.3004	1.5247
Remikiren +4.8105	1.0000	1.0000
Remikiren +4.86423	0.2927	1.5305
Remikiren +4.8683333	0.0012	1.7491
Remikiren +5.3978	0.0006	1.7496
Retinoyl CoA	1.8936	0.3298
Retinyl glucuronide	1.0000	1.0000
Retinyl glucuronide +2.5349998	1.0000	1.0000
Retinyl glucuronide +3.2575002	1.0000	1.0000
Retronecine	2.1795	0.1154
Retronecine +1.619	1.0000	1.0000
Retusoquinone	1.0000	1.0000
(R)-Flurbiprofen	1.3647	0.7264
Riboflavin (Vitamin B2)	1.0000	1.0000
Ribonic acid	2.3329	0.0003
Ricinine	1.8711	0.3467
Rifamycin	0.0002	1.7498
Rilmenidine	2.3328	0.0004
Rinderine	1.0000	1.0000
Ripazepam	2.3323	0.0008
Rishitin	1.0000	1.0000
Rishitin +1.6135	0.0004	1.7497
Ritanserin	1.0000	1.0000
Rivastigmine	0.0001	1.7500
Rivastigmine +6.087	1.0000	1.0000
Rivastigmine +9.18	1.0000	1.0000
RO 40-5966 (Methylmibefradil Metabolite)	0.6768	1.2424
Rosaniline	1.0000	1.0000
Rosaniline +1.3466667	1.0000	1.0000
Rosmarinine	0.0010	1.7493
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol	0.0004	1.7497
(R,S)-Nicotine	1.0000	1.0000
RU-0211	1.0000	1.0000
Rubraflavone C	1.7033	0.4725
Rubraflavone C +9.3562	1.0000	1.0000
(S)-(-)-1,1^-Bi-2-naphthol	1.0000	1.0000
S-(2,4-Dinitrophenyl)glutathione	0.0012	1.7491
(S)-2-Ethyl-3-hydroxypropionic acid	1.0000	1.0000
S-2-Octenoyl CoA	0.8985	1.0761
(S)-3^-Hydroxycoclaurine	2.3326	0.0006
S-Allyl-L-cysteine	2.3328	0.0004
Samandarine	1.0000	1.0000
Saquinavir	1.0000	1.0000
Sarracine	1.0000	1.0000
(S)-ATPA	0.0002	1.7498
(S)-ATPA +7.0475	1.0000	1.0000
(S)-ATPA +7.7368	1.0000	1.0000
SB 200646	0.0008	1.7494
SB 218655	1.0000	1.0000
(S)-b-amino-isobutyric acid	0.0002	1.7498
(S)-b-amino-isobutyric acid +1.871	2.3333	0.0000
(S)-beta-Methylindolepyruvate	1.0000	1.0000
Scarlet Red	1.0000	1.0000
Schizandrin	1.0000	1.0000
Scopolamine	2.3329	0.0003
Scopolamine N-oxide	0.0007	1.7495
Scopolamine N-oxide +2.4082859	0.9502	1.0374
Scorpioidin	0.0011	1.7492
Secbumeton	1.0000	1.0000
Secbumeton +1.562	1.0000	1.0000
Secbumeton +7.403	1.0000	1.0000
Secnidazole	2.3328	0.0004
Secnidazole +3.6115	1.0000	1.0000
Secnidazole +6.133714	1.9923	0.2558
Secnidazole +6.5833335	2.3331	0.0002
Secnidazole +6.6741304	1.2939	0.7796
Secogalioside	0.0014	1.7490
sec-o-Glucosylhamaudol	0.0003	1.7498
(-)-Sedamine	1.0000	1.0000
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide	1.0000	1.0000
Ser Asp Met	1.0000	1.0000
Ser-Gly-OH	0.0001	1.7499
Ser His His	0.0004	1.7497
Sericetin Diacetate	1.0000	1.0000
Sericetin Diacetate +1.185	1.0000	1.0000
(+)-Serradiol	2.3319	0.0011
Serratanidine	1.0000	1.0000
Serratine	0.0005	1.7496
Serratine +5.478	0.0005	1.7496
Ser Ser Ser	0.0005	1.7496
Ser Tyr Glu	1.0000	1.0000
Sethoxydim	0.5102	1.3673
Sibutramine	1.0000	1.0000
Simvastatin-6^-carboxylic acid	2.3327	0.0005
Slaframine	2.3329	0.0003
Sobetirome	0.0004	1.7497
Solanidine	1.9941	0.2544
Solanine	0.8237	1.1322
Songorine	1.0000	1.0000
Songorine +2.121	1.0000	1.0000
Songorine +2.774	0.0012	1.7491
Sophoranone	2.3318	0.0011
Soraphen O	1.1561	0.8829
Sotalol	0.0003	1.7498
Spectinomycin adenylate	1.1259	0.9056
Sphaerodiene	1.0000	1.0000
Sphingofungin E	0.9918	1.0061
(S)-Piperazine-2-carboxamide	0.0003	1.7498
(S)-Piperazine-2-carboxylic acid	2.3331	0.0002
(S)-Piperidine-2-carboxamide	1.0517	0.9612
(S)-Piperidine-2-carboxamide +9.182401	1.2437	0.8172
(S)-Piperidine-2-carboxamide +9.334	1.0000	1.0000
Spiperone	1.0000	1.0000
Spirolucidine	1.2833	0.7875
Spisulosine	1.0000	1.0000
Spongipregnoloside D	0.0001	1.7499
(-)-Spruceanol	1.0000	1.0000
Stearamide	0.9579	1.0316
Stearidonic Acid methyl ester	0.8314	1.1265
stigmast-25-en-3?-ol	1.0000	1.0000
stigmast-25-en-3?-ol +1.4	1.0000	1.0000
Stovaine	2.3323	0.0008
Stovaine +4.037	1.0000	1.0000
Stovaine +4.0792503	0.0004	1.7497
Streptamine 4-phosphate	2.3330	0.0003
Streptobiosamine	1.0000	1.0000
Strophanthidin Semicarbazide	1.0000	1.0000
Styrene	2.3333	0.0000
Styrene +1.152	1.0000	1.0000
SU 5416	1.0000	1.0000
SU 5416 +3.052	1.0000	1.0000
Succinylmonocholine	1.0000	1.0000
Sucralose	0.0010	1.7493
Sulfaphenazole	1.0000	1.0000
Sunitinib	1.0000	1.0000
Supinidine	0.0004	1.7497
Suxibuzone	0.0010	1.7493
Swietenidin B	0.0012	1.7491
Symphytine	0.6002	1.2999
Syringolin A	1.6490	0.5132
Tabernamine	1.0000	1.0000
tachysterol3	1.2525	0.8106
Tacrolimus	1.0000	1.0000
Tacrolimus +2.012	1.0000	1.0000
Tacrolimus +7.75	1.0000	1.0000
Talatizamine	1.0000	1.0000
Taurine	2.3333	0.0000
Tauroursocholic acid	0.0001	1.7499
Tauroursocholic acid +3.101	0.0004	1.7497
Tauroursocholic acid +3.234	0.0013	1.7490
Tauroursocholic acid +3.881875	0.3054	1.5209
Tauroursocholic acid +3.9862664	0.1652	1.6261
Tecomine	1.0000	1.0000
Tecostanine	1.0000	1.0000
Tegaserod	1.0000	1.0000
Telithromycin	0.0009	1.7493
Tenovin-6	0.0000	1.7500
Tenovin-6 +3.4905	0.0001	1.7499
Tenuazonic acid	1.0000	1.0000
(+)-Tephropurpurin	1.0000	1.0000
Teprenone	1.0000	1.0000
Terbucarb	0.0000	1.7500
Testosterone phenylpropionate	2.3329	0.0003
tetradeca-13-en-2,4-diyn-1-ol	1.2631	0.8026
Tetradecanoylcarnitine	1.0000	1.0000
Tetradecylamine	0.9256	1.0558
Tetradecylamine +4.2875004	2.3329	0.0003
Tetrahexosylceramide (d18:1/9Z-18:1)	1.0000	1.0000
Tetralin	1.0000	1.0000
Tetranor-PGEM-d6	0.0008	1.7494
Tetranor-PGF1alpha	0.0001	1.7500
Tetranor-PGF1alpha +1.213	1.0000	1.0000
Tetranor-PGF1alpha +1.21375	1.0000	1.0000
Tetranor-PGF1alpha +4.7539997	1.0000	1.0000
TG(10:0/10:0/10:0)	1.0000	1.0000
TG(14:0/14:0/14:0)	1.0000	1.0000
TG(15:0/18:2(9Z,12Z)/16:0)[iso6]	1.0000	1.0000
TG(15:0/20:1(11Z)/14:0)[iso6]	1.0000	1.0000
TG(16:0/14:0/16:0)[iso3]	1.0000	1.0000
TG(16:0/14:0/16:1(9Z))[iso6]	1.0000	1.0000
TG(16:0/14:0/18:0)[iso6]	1.0000	1.0000
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]	1.0000	1.0000
TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6]	2.3327	0.0005
TG(16:1(9Z)/14:0/18:1(9Z))[iso6]	1.0000	1.0000
TG(16:1(9Z)/17:0/17:1(9Z))[iso6]	0.0004	1.7497
TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	0.0002	1.7499
TG(16:1(9Z)/18:0/18:1(9Z))[iso6] +1.207	1.0000	1.0000
TG(17:0/17:0/17:2(9Z,12Z))[iso3]	1.0000	1.0000
TG(18:0/14:0/16:1(9Z))[iso6]	0.0004	1.7497
TG(18:0/14:0/18:1(9Z))[iso6]	0.0004	1.7497
TG(18:0/16:0/18:1(11Z))[iso6]	1.0000	1.0000
TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	2.3317	0.0012
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	1.0000	1.0000
TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	1.5216	0.6088
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6]	0.9777	1.0167
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] +5.7100005	0.0004	1.7497
TG(8:0/8:0/8:0)	1.0606	0.9545
THA	0.7284	1.2037
THA +1.05075	1.0000	1.0000
THA +1.096	2.3324	0.0007
THA +1.335815	1.4591	0.6557
Thalsimine	2.3330	0.0003
Thalsimine +1.4256	0.0008	1.7494
Thalsimine +1.717	1.0000	1.0000
Thapsigargin	2.3321	0.0009
Thapsigargin +3.667	1.0000	1.0000
Thiothixene	2.3328	0.0004
Thr Ala Thr	1.0000	1.0000
Thr Ala Thr +6.4452496	2.3326	0.0005
Thr Gly Ser	0.0002	1.7499
Thr Gly Ser +7.7	0.0003	1.7498
Thr Ile	0.0008	1.7494
Thr Leu	2.3330	0.0003
Thromboxanoic acid skeleton	2.0034	0.2474
THTA	1.0000	1.0000
THTC	2.3330	0.0002
THTC +3.40475	0.0006	1.7495
Thymine	1.0000	1.0000
Todralazine	1.0000	1.0000
Tolbutamide	1.0000	1.0000
Tolnaftate	0.0002	1.7498
Tolperisone	2.3325	0.0007
Toluene	1.0000	1.0000
Toluene +1.144	2.3331	0.0001
Totarol-19-Carboxylic Acid	2.3323	0.0008
Totarol-19-Carboxylic Acid +1.8885	1.0000	1.0000
Toxoflavine	1.0000	1.0000
Trandolaprilat	0.0004	1.7497
Trandolapril glucuronide	0.0005	1.7496
Trandolapril lactam (RU 46178)	1.0000	1.0000
trans-2-Phenylcyclopropanecarboxylic acid	0.7049	1.2213
trans-2-Phenylcyclopropanecarboxylic acid +1.0668889	0.9273	1.0546
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	1.0000	1.0000
trans-3-Aminocyclopentane-1-carboxylic acid	0.2529	1.5603
(+)-trans-allethrin	1.0000	1.0000
Traumatic Acid	1.0000	1.0000
Triamcinolone hexacetonide	0.0004	1.7497
Triangularine	0.0008	1.7494
Triazamate	0.0002	1.7499
Triazamate +8.6145	0.0001	1.7500
TRIBOA	1.0000	1.0000
Tributyl phosphate	0.9848	1.0114
Tricaine	1.5120	0.6160
Tricaine +3.332	1.0000	1.0000
Tricaine +6.3742223	1.0000	1.0000
Tricaine +7.3739996	1.0000	1.0000
Tricaine +7.961625	1.0000	1.0000
Trichostatin A	1.1279	0.9041
Trichostatin A +1.3358667	0.7393	1.1955
Trichostatin A +1.4079999	2.3331	0.0002
Trichostatin A +1.651	1.0000	1.0000
Trichostatin A +1.7003335	0.9888	1.0084
Trichostatin A +2.29025	0.0004	1.7497
Trichostatin A +2.4312	0.5793	1.3155
Trichostatin A +6.1394997	1.0000	1.0000
Trichostatin A +6.204	1.0000	1.0000
Trichostatin A +6.2479997	0.4379	1.4216
Trichostatin A +6.292	0.0003	1.7498
Trichothecin	2.3327	0.0005
Trichothecin +2.454	1.0000	1.0000
Tricin 7-neohesperidoside	1.0000	1.0000
Tridesacetoxykhivorin	1.0000	1.0000
Trilauroyl-glycerol	0.8047	1.1464
Trillenogenin	1.0000	1.0000
Trimedlure	1.0000	1.0000
Trimethylaminoacetone	0.6521	1.2609
Trimethylolpropane triacrylate	0.9786	1.0161
Trinexapac-ethyl	1.0000	1.0000
Triphenylphosphine oxide	0.7394	1.1954
Triprolidine	1.0000	1.0000
Tris(2-methyl-1-aziridinyl)phosphine oxide	1.0000	1.0000
Tris(2-methyl-1-aziridinyl)phosphine oxide +1.585	2.3328	0.0004
Tris(2-methyl-1-aziridinyl)phosphine oxide +6.058	1.0000	1.0000
Tris(butoxyethyl)phosphate	0.0005	1.7496
Troglitazone sulfate	1.7929	0.4054
Troglitazone sulfate +1.0325	1.0000	1.0000
Trolamine	0.9743	1.0193
Trolamine +6.057	2.3330	0.0003
Tromethamine	0.6121	1.2910
Tromethamine +6.3055	1.0000	1.0000
Tropacocaine	1.0000	1.0000
Tropine	0.0008	1.7494
Tropine +5.867334	0.5231	1.3577
Tropinone	1.0000	1.0000
Tropinone +1.403	0.0004	1.7497
Trp Ile	0.5603	1.3298
Trp Ile Arg	1.0000	1.0000
Trp Lys Arg	1.0000	1.0000
Trp Pro	1.0000	1.0000
Trp Ser	1.0000	1.0000
Trp Thr Trp	1.0000	1.0000
Trp Trp	1.0000	1.0000
Trp Trp Lys	1.0000	1.0000
Trp Val Pro	0.0000	1.7500
Tubulosine	1.0000	1.0000
Tuliposide A	0.0003	1.7498
Tumonoic Acid A	1.0000	1.0000
Tumonoic Acid D	1.0000	1.0000
Tumonoic Acid H	1.0000	1.0000
Tussilagine	1.0000	1.0000
Tussilagine +6.789	1.0000	1.0000
Tylosin	1.0000	1.0000
Tyramine-O-sulfate	0.0007	1.7495
Tyr Leu	1.0000	1.0000
Tyr Leu +6.7387505	1.0000	1.0000
Tyr Leu +6.7903333	1.0000	1.0000
Tyr Leu +6.9038334	1.0000	1.0000
Tyr Leu +7.7433753	0.9310	1.0518
Tyr Leu +8.699	0.0005	1.7497
Tyr Leu Val	1.0000	1.0000
TyrMe-Nap-OH	0.0008	1.7494
TyrMe-Nap-OH +1.041	1.0000	1.0000
Tyr Met Glu	1.0000	1.0000
Tyr Met Glu +6.5425	0.0005	1.7496
Tyr Phe	1.0000	1.0000
Tyr Thr Ala	1.0000	1.0000
Tyr Thr Lys	0.0000	1.7500
Tyr Tyr	1.0000	1.0000
Tyr Tyr +3.579	1.0000	1.0000
Tyr Tyr Lys	1.0000	1.0000
Tyr Tyr Pro	1.0000	1.0000
Ubisemiquinone	0.0005	1.7496
Undecylprodigiosin	1.0000	1.0000
Ursiniolide A	1.0000	1.0000
Ursodeoxycholic acid 3-sulfate	0.3607	1.4795
Ursodeoxycholic acid 3-sulfate +1.1235557	0.9501	1.0374
Val Arg Cys	1.0000	1.0000
Val Arg Pro	0.0013	1.7490
Val Arg Tyr	1.0000	1.0000
Val Arg Val	1.0000	1.0000
Val Arg Val +1.394	0.0006	1.7495
Val Asp Gly	1.0000	1.0000
Val Asp Gly +6.9065	1.0000	1.0000
Val Asp Trp	1.0000	1.0000
Valdecoxib	1.0000	1.0000
Valerianine	1.0000	1.0000
Valeroidine	1.0000	1.0000
Val Gly Ile	2.3329	0.0003
Val Gly Val	1.0000	1.0000
Val His Lys	1.0000	1.0000
Val Ile	0.7883	1.1588
Val Ile +7.318	2.3318	0.0012
Val Leu	1.0000	1.0000
Val Leu +6.825	1.0000	1.0000
Val Leu +6.9236665	2.3324	0.0007
Val Lys	2.0527	0.2105
Val Lys +9.32589	1.3992	0.7006
Val Lys +9.469001	1.0000	1.0000
Val Phe Val	0.0002	1.7498
Val Phe Val +2.0945	0.0003	1.7498
Valproic acid glucuronide	1.0000	1.0000
Val Tyr	1.0000	1.0000
Val Tyr +6.113333	0.0003	1.7498
Val Tyr His	1.4464	0.6652
Val Tyr Phe	1.0000	1.0000
Val Val	1.4536	0.6598
Val Val +3.1266668	1.0000	1.0000
Val Val +7.144833	2.3327	0.0005
Val Val +8.186	1.0000	1.0000
Veatchine	0.0011	1.7492
Verapamil	2.3333	0.0000
Victorin C	1.2843	0.7868
Victorin C +1.0163333	1.0000	1.0000
Villinol	1.0000	1.0000
?-vinyl acrylic acid	1.0000	1.0000
Vinyl-L-NIO	1.0000	1.0000
Vitamin E succinate(tocopherol succinate)	0.0010	1.7493
Volicitin	1.1468	0.8899
VPGPR Enterostatin	0.0001	1.7499
VPGPR Enterostatin +7.7265	1.0000	1.0000
VPGPR Enterostatin +7.764	1.0000	1.0000
VPGPR Enterostatin +8.0585	1.0000	1.0000
V-PYRRO/NO	2.3329	0.0003
V-PYRRO/NO +4.102	1.0000	1.0000
V-PYRRO/NO +4.3929996	2.3331	0.0001
V-PYRRO/NO +6.7351665	1.3044	0.7717
W123	0.5979	1.3016
W123 +1.3951	0.0002	1.7499
W123 +4.6785	2.3326	0.0005
W123 +7.462	0.0002	1.7498
W123 +7.5655003	0.0008	1.7494
Westiellamide	0.0010	1.7492
Xanthosine	0.0012	1.7491
Xestoaminol C	0.8164	1.1377
Xestoaminol C +4.357	2.3328	0.0004
Y-27632	1.0000	1.0000
YM-53601	2.3327	0.0005
Zalcitabine	1.0000	1.0000
Zalcitabine +1.729	1.0000	1.0000
Zalcitabine +3.995	1.0000	1.0000
Zaprinast	1.0000	1.0000
Zaprinast +6.545	0.0002	1.7498
Zaprinast +6.875	1.0000	1.0000
Z-Arg-Arg-NHMec	1.0000	1.0000
Z-Arg-Arg-NHMec +3.6420002	0.0003	1.7498
Z-Gly-Pro-Leu-Gly-Pro	1.0000	1.0000
Zinnolide	1.0000	1.0000
Zinnolide +6.583	1.0000	1.0000
Zizyphine A	1.0000	1.0000
ZK118182 isopropyl ester	1.6880	0.4840
Zolpidem Metabolite I	1.0000	1.0000
Zolpidem Metabolite II	2.3333	0.0001
Zopiclone	1.6118	0.5412

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Group:Case-High PA PI-IBS
F2	Group:Case-Low PA PI-IBS