Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST002094

(Analysis AN003420): Average values per metabolite and experimental factor (Units:raw intensity)

Metabolite structure	F1	F2
10,11-Dihydro-10,11-dihydroxyprotriptyline	1.00	30785.50
10,11-Dihydro-10,11-dihydroxyprotriptyline +1.396	1.00	1989.25
10,11-Dihydro-10,11-dihydroxyprotriptyline +4.065	13028.67	1.00
10,11-Dihydro-10,11-dihydroxyprotriptyline +9.169143	24775.00	222820.00
10,11-dihydroxy stearic acid	14769.00	5190.25
10,11-dihydroxy stearic acid +10.657666	13587.00	13621.75
10-[3]-ladderane-decanoic acid	1.00	1.00
10-amino-decanoic acid	1.00	1.00
10-amino-decanoic acid +4.4775	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane +12.825	1.00	1765.50
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane +4.348	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -6.3903337	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane +6.422	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -6.8967495	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -7.4040003	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane +7.4280005	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -7.642	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane +7.965	1.00	15880.50
10-Deacetyl-2-debenzoylbaccatin III	85354.00	71064.50
10-Deacetyl-2-debenzoylbaccatin III -5.767	1.00	1.00
10-deacetylbaccatin III	1.00	1.00
10-Deoxygeniposidic acid	1.00	1.00
10-Desacetyltaxuyunnanin C	1.00	1.00
10-dodecynoic acid	1.00	1.00
10-dodecynoic acid +9.254499	1.00	1428.25
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	1.00	11911.00
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +5.2815	1.00	7686.75
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid +8.047	1.00	1.00
10-hydroxy-8E-Decene-2,4,6-triynoic acid	103559.00	75704.25
10-hydroxy-8Z-Decene-4,6-diynoic acid	1.00	1.00
10-Hydroxydesmethylnortriptyline	1.00	1.00
10-Hydroxymorroniside	1.00	1.00
10-Hydroxymorroniside +1.4087999	64859.00	1.00
10-Hydroxymorroniside +2.489	28477.33	1.00
10-keto stearic acid	23671.33	57578.00
10-keto stearic acid +10.017	1.00	2197.75
10-keto stearic acid +11.219	1.00	1273.50
10-keto stearic acid +12.343689	42162.33	36593.00
10-keto stearic acid +12.417466	18913.00	16145.75
10-nitro,9Z,12Z-octadecadienoic acid	1.00	1.00
10-Oxabenzo[def]chrysen-9-one	1.00	1.00
10-oxo-nonadecanoic acid	2714.00	4264.75
10-oxo-nonadecanoic acid +13.325001	1.00	1260.75
10S,11R-epoxy-punaglandin 4	1.00	1.00
(10S)-Juvenile hormone III acid diol	1.00	1668.00
(10S)-Juvenile hormone III diol	1.00	1.00
1-(10-methyl-hexadecanyl-2-(8-[3]-ladderane-octanyl)-sn-glyc...	1.00	1.00
11,12,15-trihydroxy palmitic acid	1.00	2212.50
11,12,15-trihydroxy palmitic acid -8.111	1.00	1.00
11,12,15-trihydroxy palmitic acid +9.746	1.00	1.00
11,12-Dihydroxybenzo[a]pyrene	1.00	9406.00
11,12-dihydroxy stearic acid	1.00	9691.75
11,12-dihydroxy stearic acid +10.907499	1.00	17775.00
1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane	1.00	1.00
1,1,2-Triphenylpropane	1.00	7781.00
1,1,2-Triphenylpropane +8.593	1.00	7091.75
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco...	1.00	3319.25
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha...	1.00	1.00
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha...	1.00	1.00
11?-Acetoxykhivorin	1.00	1.00
11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate	1.00	1.00
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione	3821.33	1.00
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione +8.954	3398.33	1.00
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione +9.632	2789.33	1.00
11-beta-hydroxyandrosterone-3-glucuronide	1.00	1.00
11-beta-hydroxyandrosterone-3-glucuronide +5.465	5149.33	1.00
11-beta-hydroxyandrosterone-3-glucuronide +5.943	1.00	1.00
11-beta-hydroxyandrosterone-3-glucuronide -6.266	1.00	1.00
1,1-Bis(4-hydroxyphenyl)ethane	23527.00	1.00
11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chlorome...	1.00	1.00
1,1-Cyclopropanedicarboxylic acid	1.00	1.00
11-Deoxylandomycinone	1.00	1.00
11-Deoxylandomycinone -1.615	1.00	1.00
1,1-Diphenyl-2-(4-methoxyphenyl)propene	1.00	69961.75
1,1-Diphenyl-2-(4-methoxyphenyl)propene +5.644	1.00	88372.25
11E,13-Tetradecadienyl acetate	1.00	1.00
11E,13Z-Hexadecadienal	1.00	1.00
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	4125.00	1.00
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +10.606	6179.67	4131.25
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +10.6095	4838.67	1.00
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +13.44025	3896.33	3771.50
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +13.443999	6714.00	5187.25
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +13.7455	1.00	3600.50
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +7.338	1.00	9675.75
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +7.6549997	1.00	17980.00
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +9.276	1.00	1.00
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid +9.906	1.00	1.00
11-Hydroxyandrosterone	1.00	1.00
11-lauroleic acid	1.00	1.00
11-lauroleic acid +11.654	1.00	1.00
11-lauroleic acid +12.448833	1.00	3565.00
11-lauroleic acid +6.537	1.00	1.00
11-Methyl-9Z,12-tridecadienyl acetate	10343.00	12384.75
11-Methyl-9Z,12-tridecadienyl acetate +10.393166	13104.33	3848.25
11-Methyl-9Z,12-tridecadienyl acetate +10.480429	22300.67	8740.75
11-O-Demethyl-7-methoxypradinone II	1.00	1.00
1-(1-Oxopropyl)-1H-imidazole	1.00	1.00
11R-hydroxy-dodecanoic acid	17065.67	16510.75
11S-hydroxy-hexadecanoic acid	1.00	1.00
11S-hydroxy-hexadecanoic acid -11.4225	1.00	1.00
11S-hydroxy-hexadecanoic acid -11.508	1.00	1.00
11S-hydroxy-hexadecanoic acid -11.607917	1.00	1.00
11S-hydroxy-hexadecanoic acid -11.953	1.00	1.00
11S-hydroxy-hexadecanoic acid -12.6835	1.00	1.00
(11Z)-8,18-propano-retinal	1.00	1.00
11Z-Eicosenal	1.00	1.00
12:0 Cholesteryl ester	1.00	1.00
12,13-dihydroxy-11-methoxy-9-octadecenoic acid	17668.00	14390.25
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	2546.67	3461.75
(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone	1.00	1.00
1,2,3,4,6,7,8-Heptachlorodibenzodioxin	1.00	1.00
1,2,3,4,6,7,8-Heptachlorodibenzodioxin +5.618	1.00	1.00
1,2,3,4,7,8,9-Heptachlorodibenzofuran	1.00	1.00
1,2,3,7,8-Pentachlorodibenzodioxin	1.00	1.00
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-p...	1.00	1.00
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-p...	1.00	1.00
1?,25-Dihydroxy-2-[3^-(methoxymethoxy)propylidene]-19-norvit...	11094.00	13365.50
1?,25-Dihydroxy-2-[3^-(methoxymethoxy)propylidene]-19-norvit...	1.00	1.00
1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24...	1.00	1.00
12a-Hydroxyisomillettone	1.00	1.00
1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol	11406.67	1.00
1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol +4.016	1.00	5483.00
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-on...	2695.00	2066.50
12-amino-dodecanoic acid	16732.00	18564.75
12-amino-octadecanoic acid	1.00	1.00
12-amino-octadecanoic acid +11.259	7396.33	1.00
1,2-Bis(chloromethoxy)ethane	29411.67	1.00
1,2-Bis(chloromethoxy)ethane +0.83933336	1.00	1.00
1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene	2119.67	1.00
12-chloro-dodecanoic acid	1.00	1.00
1,2-Dihexanoyl-sn-glycerol	1.00	34978.50
1,2-Dihexanoyl-sn-glycerol -5.1685	1.00	1.00
1,2-Dihexanoyl-sn-glycerol -5.689	1.00	1.00
1^,2^-Dihydrochlorobactene	10788.67	11927.75
1,2-dihydrostilbene	1.00	1.00
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate	1.00	1.00
1,2-Dihydroxytacrine	1.00	1.00
1,2-Dihydroxytacrine -4.8245	1.00	1.00
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene	15142.00	21510.75
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene +11.70981...	19494.00	21833.25
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene +2.657	15637.00	1.00
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene +9.494	1.00	1.00
1,2-Epoxy-3,4-butanediol 4-methanesulfonate	1.00	1.00
1,2?-Epoxydeacetoxydihydrogedunin	1.00	15781.00
1,2-Epoxypropane	9361.33	1876.75
1,2-Epoxypropane +3.905	2641.33	1.00
1,2-Epoxypropane +3.9447498	19593.00	2923.75
12-Hydroxydihydrochelirubine	1.00	1.00
12-Hydroxydihydrochelirubine -7.665	1.00	1.00
1-(2-hydroxyethyl)-1-methylguanidine	3865.00	1.00
1-(2-hydroxyethyl)-1-methylguanidine +1.401	4208.00	1.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	1.00	10660.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole -4.48075...	1.00	1.00
12-keto-10,11,14,15-tetrahydro-LTB4	5851.00	1.00
12-Methoxy-4,4-Bisnor-5?-8,11,13-Podocarpatrien-3-Ol	1.00	1.00
1,2-Naphthoquinone	2655.33	1.00
1,2-O-Diacetylzephyranthine	1.00	1.00
1,2-O-Diacetylzephyranthine +5.0668	1.00	1.00
12-oxo-10Z-octadecenoic acid	11982.67	7705.00
12-oxo-10Z-octadecenoic acid +10.398666	23016.33	1.00
12-oxo-10Z-octadecenoic acid +10.480332	29694.67	1.00
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid	1.00	1.00
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -11....	1.00	1.00
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -7.9...	1.00	1.00
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]	1.00	4206.75
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino] +1.218	6833.00	1.00
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino] +3.792...	1.00	1.00
1-(2-Pyrimidyl)piperazine	18396.67	1.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid	1.00	1.00
12R-acetoxy-7Z-punaglandin 3	1.00	1.00
12R-HETrE	11247.33	4775.50
13,14-dihydro-15-keto-PGD2-d4	1.00	1.00
13,14-dihydro-15-keto Prostaglandin J2	1.00	2302.75
13,14-dihydro-15-keto-tetranor PGF1?	1.00	1.00
13,14-dihydro-15-keto-tetranor PGF1? -8.327	1.00	1.00
13,14-dihydro-16,16-difluoro Prostaglandin E1	1.00	1.00
13,14-epoxy Fluprostenol Isopropyl Ester	7141.00	5138.25
13,14-epoxy Fluprostenol Isopropyl Ester -8.229667	1.00	1.00
1?,3?,4?-p-menthane-3,8-diol	1.00	1.00
1,3,5-Trihydroxyxanthone	1.00	1.00
1,3,5-Trimethoxybenzene	1.00	1.00
1,3,5-Trimethoxybenzene +1.392	1.00	7420.25
1,3,5-Trimethoxybenzene -3.963	1.00	1.00
1,3,5-Trimethoxybenzene -4.272	1.00	1.00
1,3,5-Trimethoxybenzene -4.335	1.00	1.00
1,3,5-Trimethoxybenzene -4.417	1.00	1.00
1,3,5-Trimethoxybenzene -4.565	1.00	1.00
1,3,7-Trimethyluric acid	1.00	1.00
1-(3-Aminopropyl)-4-aminobutanal	1.00	834380.00
1-(3-Aminopropyl)-4-aminobutanal +1.427	1.00	32347.50
1-(3-Aminopropyl)-4-aminobutanal +2.794	19205.33	1.00
1-(3-Aminopropyl)-4-aminobutanal +5.6875	1.00	1.00
1,3-Butadiene	76419.67	45401.50
1,3-Butadiene +3.592	8719.00	12708.00
13-Deoxydaunorubicin	1.00	1.00
13-Deoxytedanolide	1.00	1.00
13-Deoxytedanolide +10.31043	3801.00	2814.25
13-Deoxytedanolide -6.945	1.00	1.00
13-Deoxytedanolide -7.06	1.00	1.00
13-Deoxytedanolide +7.072	1.00	1.00
13-Deoxytedanolide -9.147667	1.00	1.00
13-Deoxytedanolide -9.167667	1.00	1.00
13-Deoxytedanolide +9.2671995	1.00	411024.25
1,3-Di-(5Z,8Z,11Z,14Z,17Z-icosapentaenoyl)-2-hydroxy-sn-glyc...	1.00	1.00
1,3-Dibenzyltetramethyldisiloxane	1.00	5703.25
1,3-Diheptadecanoyl-2-hydroxy-sn-glycerol-d5	1.00	1.00
1,3-Dimethyl-6,8-isoquinolinediol	1.00	1.00
1,3-Dimethyl-6,8-isoquinolinediol +7.1879997	1.00	1.00
1,3-di-(octadec-9Z-enoyl)-(1-cyano-2-methylene-propane-1,3-d...	27455.00	1.00
1,3-Diphenylpropane	1.00	1.00
1,3-Diphenylpropane +4.64	1.00	6736.50
1,3-Diphenyltetramethyldisiloxane	1.00	1.00
1,3-Diphenyltetramethyldisiloxane +1.3995	1.00	1.00
1,3-Diphenyltetramethyldisiloxane +4.335	1.00	1.00
13-Docosenamide	106757.33	207995.25
13-Ethyl-6a,17-dihydroxy-18,19-dinor-17a-pregna-4,9,11-trien...	1.00	1.00
13-Ethyl-6a,17-dihydroxy-18,19-dinor-17a-pregna-4,9,11-trien...	1.00	1.00
1(3)-glyceryl-PGH2	20053.00	1.00
1(3)-glyceryl-PGH2 +3.848	1.00	4478.50
1(3)-glyceryl-PGH2 -5.881	1.00	1.00
1(3)-glyceryl-PGH2 -6.117	1.00	1.00
13H-Dibenzo[a,g]fluorene	1.00	4675.50
13H-Dibenzo[a,g]fluorene +3.063	1.00	11401.00
13H-Dibenzo[a,g]fluorene -5.178	1.00	1.00
13-Hydroxypergolide glucuronide	4860.33	1.00
13-Hydroxypergolide glucuronide -7.254	1.00	1.00
13-Hydroxypergolide glucuronide -7.338	1.00	1.00
13-Hydroxypergolide glucuronide -7.461	1.00	1.00
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One	6317.33	1.00
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One +4.375	1.00	1.00
13(S)-HODE methyl ester	3352.00	1.00
13-tetradecen-2,4-diyn-1-ol	1.00	3850.00
13-tetradecen-2,4-diyn-1-ol +1.202	1.00	1.00
13-tetradecen-2,4-diyn-1-ol +2.271	7213.67	1.00
13Z-octadecenoic acid	1.00	1.00
13Z-octadecenoic acid -13.301999	1.00	1.00
13Z-octadecenoic acid -13.473	1.00	1.00
1400W	1.00	1.00
14,14,14-Trifluoro-11Z-tetradecenyl acetate	1.00	1.00
1,4^-Bipiperidine-1^-carboxylic acid	299531.00	6686.00
1,4^-Bipiperidine-1^-carboxylic acid +1.97	24473.33	1.00
1,4^-Bipiperidine-1^-carboxylic acid +2.15	1.00	1.00
1,4^-Bipiperidine-1^-carboxylic acid +2.174	8950.67	1.00
1,4^-Bipiperidine-1^-carboxylic acid +3.077	1.00	1.00
1,4^-Bipiperidine-1^-carboxylic acid +6.114	1.00	1.00
1,4-Dioxane	1.00	1.00
1,4-Dioxane -3.199	1.00	1.00
14E-Octadecenal	7792.00	29634.25
1-(4^-Hydroxyphenyl)ethanol	1.00	1.00
1-(4^-Hydroxyphenyl)ethanol +3.465	1.00	3359.25
1-(4^-Hydroxyphenyl)ethanol -4.245	1.00	1.00
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone	5734.00	1.00
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone +0.9347499...	5718.00	17730.75
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone +2.266	1.00	1.00
14(Z)-Eicosenoic Acid	1.00	1.00
15-deoxy-?-12,14-PGJ2-d4	2501.33	1.00
15-HETE-G	1.00	25966.50
15-HETE-G +12.089001	20025.00	13379.25
15-HETE-G -8.337	1.00	1.00
15-HETE-GABA	1.00	1.00
1-(5-Hydroxy-2-pyrimidinyl)piperazine	4568.67	6565.00
1-(5-Hydroxy-2-pyrimidinyl)piperazine +1.9565	1.00	41141.25
1-(5-Hydroxy-2-pyrimidinyl)piperazine +2.03	1.00	1.00
1-(5-Hydroxy-2-pyrimidinyl)piperazine +3.073	1.00	48150.75
15-hydroxy stearic acid	1.00	1.00
15-hydroxy stearic acid -12.066	1.00	1.00
15-hydroxy stearic acid -12.077067	1.00	1.00
15-hydroxy stearic acid -12.163124	1.00	1.00
15-hydroxy stearic acid -12.165601	1.00	1.00
15-hydroxy stearic acid -12.261374	1.00	1.00
15-hydroxy stearic acid -12.344301	1.00	1.00
15-hydroxy stearic acid -12.818	1.00	1.00
1-(5-Ketohexyl)-3-methylxanthine	1.00	1.00
15-Lipoxygenase Inhibitor 1	1.00	12273.75
1,5-Naphthalenediamine	41851.00	1.00
1,5-Naphthalenediamine +1.3970001	5013.67	1.00
1,5-Naphthalenediamine +3.527	1.00	1.00
1,5-Naphthalenediamine +3.9932857	30386.00	33188.25
15-octadecene-9,11,13-triynoic acid	1.00	1.00
15-octadecene-9,11,13-triynoic acid +3.513	7646.33	1.00
15-Oxo-5?-cholan-24-oic Acid	25331.00	50813.50
15-Oxo-5?-cholan-24-oic Acid +10.609545	341878.00	167920.25
15-Oxo-5?-cholan-24-oic Acid +8.268	1.00	1.00
15-Oxo-5?-cholan-24-oic Acid +9.6882	8653.67	1.00
15-oxo-hexadecanoic acid	1.00	1.00
15-oxo-hexadecanoic acid -11.871	1.00	1.00
15-oxo-hexadecanoic acid -12.2005005	1.00	1.00
15-oxo-hexadecanoic acid -12.419	1.00	1.00
15-oxo-LXA4	1.00	9638.00
15(R)-17-phenyl trinor PGF2? isopropyl ester	1.00	1.00
15(R)-17-phenyl trinor PGF2? isopropyl ester -13.1105	1.00	1.00
15(R)-17-phenyl trinor PGF2? isopropyl ester +7.2580004	1.00	1.00
15(R)-17-phenyl trinor PGF2? isopropyl ester -7.763334	1.00	1.00
15(R)-17-phenyl trinor PGF2? isopropyl ester +7.7815	1.00	11250.75
15(R)-17-phenyl trinor PGF2? isopropyl ester +8.216	1.00	1.00
15(R)-17-phenyl trinor PGF2? isopropyl ester +9.071501	22505.00	1.00
15(R),19(R)-hydroxy Prostaglandin F1?	2133.00	1.00
15R-PGA2 methyl ester, 15-acetate	1.00	1.00
16,17-epoxy-DHA	1.00	1542.50
16alpha,17alpha-Dihydroxyprogesterone acetophenide	17573.00	1.00
16alpha,17alpha-Dihydroxyprogesterone acetophenide +6.742	5993.33	1.00
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, g...	1.00	1.00
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid	1.00	1.00
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid +2.69...	1.00	1.00
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid +2.74	1.00	1.00
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid +3.72...	1.00	1.00
1,6-Dimethoxypyrene	1.00	1.00
1,6-Dimethoxypyrene +3.231	1.00	1.00
16-Feruloyloxypalmitate	1.00	1.00
16?-Hydroxy-17-epistanozolol	21892.33	33201.00
16-Hydroxy-4-carboxyretinoic acid	1.00	2376.25
16-phenoxy tetranor PGF2?	1.00	1.00
17,20-dimethyl Prostaglandin F1?	55253.00	56624.00
17,20-dimethyl Prostaglandin F1? +12.883561	29620.67	29176.25
17,20-dimethyl Prostaglandin F1? +12.982751	4228.67	3221.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccin...	1.00	1.00
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	19558.33	30141.75
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione +1...	1.00	3099.50
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione +1...	1.00	1.00
?17-6-keto PGF1?	1.00	1.00
17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	1.00	8712.75
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one	16628.67	3991.00
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate	1.00	1.00
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate +1...	4025.67	1.00
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	5431.00	1.00
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol +7.36	4878.67	1.00
1,7-Dimethyluric acid	1.00	1.00
1,7-Dimethyluric acid -3.8148334	1.00	1.00
17-Epiestriol	1.00	1.00
17-Epiestriol +3.407	4807.33	1.00
17-Epiestriol +4.0514	1.00	1.00
17-Epiestriol +4.309	1.00	1.00
17-Epiestriol +4.471	5751.67	1.00
17-Epiestriol +4.5494	1.00	1.00
17-Epiestriol +4.642	1.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	1.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	1.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	1.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	1.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	1.00	1.00
17-hydroxyandrostane-3-glucuronide	1.00	1.00
17-hydroxyandrostane-3-glucuronide -10.588	1.00	1.00
17-hydroxyandrostane-3-glucuronide +5.125	18667.33	1.00
17-hydroxyandrostane-3-glucuronide +5.203	19731.00	1.00
17-hydroxyandrostane-3-glucuronide +6.139	1869.33	1.00
17-hydroxyandrostane-3-glucuronide -6.168	1.00	1.00
17-hydroxyandrostane-3-glucuronide -6.316	1.00	1.00
17-hydroxyandrostane-3-glucuronide +6.333	14960.67	1.00
17-hydroxyandrostane-3-glucuronide -6.401	1.00	1.00
17-hydroxyandrostane-3-glucuronide -6.611	1.00	1.00
17-hydroxyandrostane-3-glucuronide -6.629	1.00	1.00
17-hydroxyandrostane-3-glucuronide +6.63	63467.33	1.00
17-hydroxyandrostane-3-glucuronide -7.07	1.00	1.00
17-hydroxyandrostane-3-glucuronide +7.386	1924.00	1.00
17-Methylmorphinan	1.00	1.00
17-phenoxy trinor PGF2? ethyl amide	1.00	1.00
17-phenoxy trinor PGF2? ethyl amide -10.394	1.00	1.00
17-phenoxy trinor PGF2? ethyl amide -10.591	1.00	1.00
17-phenoxy trinor PGF2? ethyl amide +6.546	1.00	1.00
17-phenoxy trinor PGF2? ethyl amide -9.70775	1.00	1.00
17-phenoxy trinor Prostaglandin F2? isopropyl ester	1.00	1.00
17-phenyl trinor PGF2? diethyl amide	1.00	1.00
17-Propyl-5alpha-androst-2-en-17beta-ol	3978.67	1.00
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2?	1.00	1.00
17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin ...	1.00	1.00
17-trifluoromethylphenyl trinor PGF2?	1.00	1.00
17-trifluoromethylphenyl trinor PGF2? -7.58	1.00	1.00
17-trifluoromethylphenyl trinor PGF2? -8.227	1.00	1.00
17-trifluoromethylphenyl trinor PGF2? isopropyl ester	1.00	2303.25
1,8-Diazacyclotetradecane-2,9-dione	212954.33	97084.25
1,8-Diazacyclotetradecane-2,9-dione +3.608	1.00	1.00
18-hydroxy-9R,10S-epoxy-stearic acid	277130.33	54765.75
18-hydroxy-9R,10S-epoxy-stearic acid +10.13	5332.33	1.00
18-hydroxy-9R,10S-epoxy-stearic acid +10.4345	1.00	26639.25
18-hydroxy-9R,10S-epoxy-stearic acid +10.478	361753.67	60105.25
18-hydroxy-9R,10S-epoxy-stearic acid +10.579	15186.67	1.00
18-hydroxy-9R,10S-epoxy-stearic acid +10.609125	3509.67	12267.00
18-hydroxy-9R,10S-epoxy-stearic acid +10.621	47924.33	1.00
18-hydroxy-9R,10S-epoxy-stearic acid +13.44	2689.33	1.00
18-hydroxy-9R,10S-epoxy-stearic acid +13.7345	3061.67	3348.00
18-hydroxy-9S,10R-epoxy-stearic acid	19474.00	1.00
18-hydroxy-9S,10R-epoxy-stearic acid +10.572	18555.00	1.00
18-Oxocortisol	1.00	6973.25
18-oxo-Resolvin E1	10758.00	11978.75
18-oxo-Resolvin E1 -6.181	1.00	1.00
18-oxo-Resolvin E1 +6.21	1.00	1.00
18-oxo-Resolvin E1 -8.888	1.00	1.00
19-hydroxy-PGA2	1.00	1.00
19-hydroxy-PGA2 +6.978	1.00	2497.00
19-hydroxy-PGA2 +7.509	1.00	5093.50
19-hydroxy-Resolvin E1	6146.67	1.00
19-hydroxy-Resolvin E1 +11.994784	8649.33	13718.00
19-hydroxy-Resolvin E1 +3.402	1.00	1.00
19-hydroxy-Resolvin E1 -6.4787993	1.00	1.00
19-hydroxy-Resolvin E1 -7.1795	1.00	1.00
19-methyl-heneicosanoic acid	1.00	5573.25
19-Oxo-9-cis-retinoic acid	1.00	8043.75
19(R)-hydroxy-PGB2	1.00	20106.25
1a,1b-dihomo-PGJ2	2780.33	1.00
1^-Acetoxyeugenol acetate	1.00	1.00
1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol	1.00	1.00
1-Amino-1-deoxy-scyllo-inositol 4-phosphate	1.00	6484.00
1-Amino-1-deoxy-scyllo-inositol 4-phosphate +1.0059999	1.00	1832.50
1-amino-3,3-diethoxypropane	1.00	1.00
1-Aminocyclohexanecarboxylic acid	1.00	1.00
1-Aminocyclohexanecarboxylic acid +1.509	311311.33	1.00
1-Aminocyclohexanecarboxylic acid +1.7743334	1.00	1.00
1-Aminocyclohexanecarboxylic acid +1.8387998	1.00	1.00
1-Aminocyclohexanecarboxylic acid +1.844	1.00	10231.75
1-Aminocyclohexanecarboxylic acid +2.185	1.00	33577.75
1-Aminocyclohexanecarboxylic acid +2.262	1.00	42953.75
1-Aminocyclopropane-1-carboxylic acid	1.00	21449.00
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	1.00	1.00
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +1.628	1.00	1.00
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide +4.121	1.00	1.00
1-Caffeoyl-beta-D-glucose	1.00	1.00
1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol	1.00	1.00
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	1.00	1.00
1-Epideacetylbowdensine	1.00	1.00
1-Epideacetylbowdensine +3.462	1.00	1.00
1-Epideacetylbowdensine +3.503	1.00	1.00
1-Epideacetylbowdensine +4.148	1.00	6315.75
1-Fluorocyclohexadiene-cis,cis-1,2-diol	1.00	1.00
1-Guanidino-1-deoxy-scyllo-inositol	1.00	1.00
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate	1.00	6336.25
1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxy...	10363.67	2986.50
1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-p...	1.00	1.00
1-Hexadecylamine	27440.33	15329.00
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	1.00	1.00
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +1.069	1.00	3777.25
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +1.3352501	1.00	5428.50
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +1.6355	1.00	1.00
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +4.271	1.00	1.00
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester +4.413	1.00	1.00
1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano...	20188.67	1.00
1-Hydroxyhexane-1,2,6-tricarboxylate	1.00	1.00
1-Hydroxyhexane-1,2,6-tricarboxylate +1.339	1.00	1.00
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide	22498.33	21788.00
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide +4.123	1.00	1.00
1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-p...	1.00	22469.50
1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-p...	1.00	4135.00
1-Methylhypoxanthine	1.00	1.00
1-Methylhypoxanthine +2.314	1.00	1.00
1-Methylhypoxanthine +3.451	1.00	1.00
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfoox...	1.00	1.00
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfoox...	1.00	1.00
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfoox...	1.00	1.00
1-Methylpyrrolinium	1.00	1.00
1-Methyluric acid	1.00	1.00
1-Methyluric acid -2.872	1.00	1.00
1-Methyluric acid -2.9015	1.00	1.00
1-Naphthylamine	289740.00	22706.00
1-Naphthylamine +4.66	1.00	1.00
1-Naphthylmethanol glucuronide	1.00	1.00
1-Naphthylmethanol glucuronide -4.159	1.00	1.00
1-NBD-decanoyl-2-decanoyl-sn-Glycerol	1.00	1.00
1-Nitro-5,6-dihydroxy-dihydronaphthalene	26203.67	23894.50
1-Nitro-5,6-dihydroxy-dihydronaphthalene +3.904	6564.33	1.00
1-Nitro-5,6-dihydroxy-dihydronaphthalene +4.375	1.00	1.00
1-Nitro-5,6-dihydroxy-dihydronaphthalene +4.4969234	593489.67	221863.50
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-I...	3410.33	1.00
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-I...	29273.33	4888.00
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-I...	1.00	1.00
1-O-Feruloyl-?-D-glucose	1.00	1.00
1-O-Feruloyl-?-D-glucose -3.416	1.00	1.00
1-Oleoyl Lysophosphatidic Acid	7611.00	1.00
1-O-Methyl-myo-inositol	13689.33	1.00
1-O-Methyl-myo-inositol -1.215	1.00	1.00
1-O-Methyl-myo-inositol +4.585714	22940.67	26358.00
1-Phenyl-5-heptene-1,3-diyne	1.00	1.00
1-Phenylbiguanide	1.00	1.00
1-Phenylbiguanide +1.348	1.00	2472.00
1-Pyrroline	33154.67	11298.50
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	9109.33	6468.25
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid +10.604	1.00	1.00
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid +11.8175	5162.33	1.00
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat...	1.00	1.00
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat...	1.00	1.00
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat...	1.00	1.00
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat...	1.00	1.00
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate	1.00	1.00
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate +1.123	1.00	1.00
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate -1.6245	1.00	1.00
(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate -1.634	1.00	1.00
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol	1.00	1.00
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid	1.00	1.00
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +0.928	1.00	8924.25
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +11.009	1.00	38758.75
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid -4.9524994	1.00	1.00
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +5.206	4432.33	15046.25
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid +5.226	1.00	1.00
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid -5.3656	1.00	1.00
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid -5.7	1.00	1.00
(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarb...	1.00	1.00
1-tert-Butoxy-2-propanol	1.00	25163.75
1-Tridecene-3,5,7,9,11-pentayne	1.00	5358.75
1-Tridecene-3,5,7,9,11-pentayne +6.287	1.00	1614.75
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10)...	1.00	1.00
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10)...	10636.33	1.00
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10)...	1.00	1.00
20-Dihydrodexamethasone	1.00	1.00
20-Dihydrodexamethasone -8.432501	1.00	1.00
20-Dihydrodexamethasone -8.57475	1.00	1.00
20?-Dihydroprednisolone	1.00	1.00
20?-Dihydroprednisolone +10.292999	2655.67	1540.75
20?-Dihydroprogesterone glucuronide	7367.67	1.00
20-hydroxy-PGE2	1.00	1.00
20-hydroxy-PGE2 -6.2907996	1.00	1.00
20-hydroxy-PGE2 +6.304	1.00	7290.25
2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide	1.00	1.00
2,2^,3^,4,4^,5,5^-Heptachloro-3-biphenylol	1.00	1.00
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyloxy]ethoxy...	3027.33	2260.50
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyloxy]ethoxy...	2974.67	1.00
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyloxy]ethoxy...	1.00	3638.00
2- (2,6-Dimethoxyphenoxyethyl)Aminomethyl-1,4-Benzodioxane (...	1.00	1.00
2- (2,6-Dimethoxyphenoxyethyl)Aminomethyl-1,4-Benzodioxane (...	1.00	1.00
2- (2,6-Dimethoxyphenoxyethyl)Aminomethyl-1,4-Benzodioxane (...	1.00	1.00
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	1.00	1.00
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	1.00	38648.50
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	6533.00	1.00
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	1.00	1.00
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	1.00	1.00
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	1.00	1.00
2,2-Dichloro-1,1-ethanediol	1.00	1.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran...	1.00	1.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran...	1.00	1.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran...	1.00	1.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran...	1.00	1.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol a...	97932.67	83662.25
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol a...	25664.33	18699.25
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol a...	1.00	1.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol a...	25798.00	15145.75
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-o...	1.00	1.00
2,2-Dimethyl Succinic acid	1.00	1.00
2,2-Dimethyl Succinic acid +3.216	1.00	1.00
2-[(2-methylphenyl)phenylmethoxy]-Ethanol	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid	1.00	1995.50
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -6.709	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +6.723	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -6.87875	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7.1828003	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7.21	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7.341857	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7.7631664	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7.783	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7.7833333	1.00	69189.75
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -7.8551817	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +7.876	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +8.19375	1.00	4343.75
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -8.1988	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +8.2215	35755.67	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -8.754715	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +9.0485	219196.33	9010.50
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -9.061	1.00	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid +9.0775	1.00	24343.00
2,3,3-Triphenylacrylonitrile	1.00	86944.00
2,3,3-Triphenylacrylonitrile +3.239	1.00	3900000.75
2,3,3-Triphenylacrylonitrile +3.664	1.00	1.00
2,3,3-Triphenylacrylonitrile +5.05	1.00	31339.50
2,3,5-Trimethacarb	560328.67	584490.50
2,3,5-Trimethacarb +0.756	1.00	7022.00
2,3,6-Trichlorobiphenyl	1.00	1.00
2,3-di-0-hexanoyl-alpha-glucopyranose	1.00	1.00
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedelatriene-20-...	1.00	1.00
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedelatriene-20-...	1.00	1.00
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedelatriene-20-...	1.00	1.00
2,3-Diacetoxy-7,8-Epoxy-24,29-Dinor-1,3,5-Friedelatriene-20-...	1.00	1.00
2,3-diamino-propionic acid	1.00	5014.25
2,3-dihydro-2-oxo-1H-Benzimidazole-1-propanoic acid	1.00	1.00
2,3-Dihydroisogedunin	4742.00	1.00
2,3-Dihydroisogedunin -10.000999	1.00	1.00
2,3-dihydroxy-3-methylbutyric acid	1.00	1.00
2,3-dihydroxy-3-methylbutyric acid +3.0215	1.00	1.00
2,3-Dihydroxy-6,7-Dichloroquinoxaline	1.00	1.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid	1.00	1.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +12.757935	13694.67	20477.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +12.920082	9278.00	7397.75
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +7.587	1.00	1.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid -7.601	1.00	1.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid -8.471	1.00	1.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid +8.473	1.00	1.00
2,3-Dihydroxynaphthalene	1.00	1.00
2,3-Dinor-6,15-diketo-13,14-dihydro-20-carboxyl-PGF1a	23009.00	11695.00
2,3-dinor, 6-keto-PGF1?	4412.33	3039.75
2,3-dinor, 6-keto-PGF1? +13.738501	1.00	1501.50
2,3-Dinor-6-keto-prostaglandin F1 a	4991.67	10554.75
2,3-Dinor-6-keto-prostaglandin F1 a +7.197	1.00	1331.50
2,3-dinor Fluprostenol	1.00	1.00
2,3-dinor Thromboxane B1	1.00	1.00
2,3-dinor Thromboxane B1 +11.89	7602.00	5281.50
2,3-dinor Thromboxane B1 +6.425	1.00	1.00
2,3-dinor Thromboxane B1 -7.365	1.00	1.00
2,3-dinor Thromboxane B1 +7.377	1.00	197455.50
2,3-dinor Thromboxane B1 -8.0655	1.00	1.00
2,3-dinor Thromboxane B1 +8.079	1.00	17902.75
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	1.00	1.00
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile +4.411	1.00	1.00
2(3H)-Furanone	40341.67	16954.25
2(3H)-Furanone +1.397	2124.33	1.00
2(3H)-Furanone +1.625	1.00	1.00
2-(3^-Methylthio)propylmalic acid	28062.00	33105.25
2-(3^-Methylthio)propylmalic acid +10.822501	35602.67	35797.00
2-(3^-Methylthio)propylmalic acid +11.922	18035.67	21006.00
2-(3^-Methylthio)propylmalic acid +12.602812	115924.00	101200.25
2-(3^-Methylthio)propylmalic acid +13.1537	12390.00	7251.75
2-(3^-Methylthio)propylmalic acid +13.648602	57785.00	34548.75
23-nor-22-oxo-chol-5-en-3beta-ol	1.00	1.00
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid	1.00	1.00
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -7.0405	1.00	1.00
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -7.3946667	1.00	1.00
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -8.748	1.00	1.00
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid -8.9705	1.00	1.00
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?...	1.00	1.00
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydr...	1.00	1.00
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydr...	3907.00	1.00
2,4,2^,4^-Tetrahydroxychalcone	1.00	1.00
2,4,5-Trihydroxytoluene	4787.00	1.00
2,4,5-Trihydroxytoluene +3.289	3690.67	1.00
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-pheny...	1.00	5269.50
2^,4^,6^,3,4-Pentahydroxy-3^-geranyl-5-prenyldihydrochalcone	1.00	1.00
2,4,6,8,10-dodecapentaenal	1.00	1.00
2,4,6,8,10-dodecapentaenal +1.08825	8699.00	7864.00
2,4,6,8,10-dodecapentaenal +3.288	13826.00	1.00
2,4,6,8-decatetraenal	1.00	1.00
2,4,6,8-decatetraenal +3.399	1.00	2676.00
2,4.6-Trichloroanisole	1.00	1.00
2,4,6-trimethyl-3,5-dinitrobenzonitrile	1.00	1.00
2,4,6-Trimethylacetophenone imine	1.00	1.00
2,4,6-Trimethylacetophenone imine +1.3295	7831.67	1.00
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose	1.00	1.00
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose +1.22...	1.00	1761.75
2,4-Diamino-6,7-dimethoxyquinazoline	23630.67	1.00
2,4-Diamino-6,7-dimethoxyquinazoline -1.3870001	1.00	1.00
2,4-Diamino-6,7-dimethoxyquinazoline +1.403	1.00	2217.50
2,4-Diamino-6,7-dimethoxyquinazoline +1.565	5736.33	1.00
2,4-Diamino-6,7-dimethoxyquinazoline +1.6275	1.00	1.00
2,4-Diamino-6,7-dimethoxyquinazoline +3.1782498	33015.33	11587.50
2,4-Diamino-6,7-dimethoxyquinazoline +3.183	1.00	1.00
2,4-Diamino-6,7-dimethoxyquinazoline +3.3056	6402.67	1.00
2,4-Diamino-6,7-dimethoxyquinazoline +3.991333	8115.00	4633.50
2,4-Diamino-6,7-dimethoxyquinazoline +4.067	6187.00	1.00
2,4-Diamino-6-hydroxylaminotoluene	1.00	1.00
2,4-Diamino-6-hydroxylaminotoluene +1.382	78380.00	305807.75
2,4-Diaminoanisole	15583.33	7476.50
2,4-Diaminoanisole +3.832	22722.67	1.00
2,4-Dichloro-3-oxoadipate	1.00	1.00
2,4-Dichloro-3-oxoadipate -0.83158326	1.00	1.00
2^,4^-Dihydroxy-3^,6^^,6^^-trimethylpyrano[2^^,3^^:6^,5^]cha...	20868.67	21316.00
2^,4^-Dihydroxy-6^-methoxy-3^,5^-dimethylchalcone	4263.00	3956.25
2^,4^-Dihydroxy-6^-methoxy-3^,5^-dimethylchalcone +3.7923996	21474.33	14616.75
2^,4^-Dihydroxy-6^-methoxy-3^,5^-dimethylchalcone +7.7899995	1.00	1.00
2,4^-Diphenyldiamine	1.00	1.00
2,4-heptadienal	1.00	1443.50
24-Nor-5beta-chol-22-ene-3alpha,6alpha-diol	1.00	1.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	148964.67	80178.50
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol +11....	3540.33	1.00
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14a...	7718.67	1.00
24-vinyloxy-cholest-5,23Z-dien-3beta-ol	1.00	1.00
2,5,6-Trihydroxy-5,6-dihydroquinoline	1.00	1.00
2,5-Diaminotoluene	1.00	1.00
2,5-Diaminotoluene +1.229	1.00	1.00
2,5-Dichloro-4-oxohex-2-enedioate	931928.00	431100.00
2,5-Dichloro-4-oxohex-2-enedioate +0.8791429	1.00	463979.00
(+)-2,5-epi Goniothalesdiol	9310.00	34368.25
25-Hydroxyvitamin D2 25-(beta-glucuronide)	1.00	1.00
25-hydroxyvitamin D2 / 25-hydroxyergocalciferol	115948.67	125249.25
25-hydroxyvitamin D2 / 25-hydroxyergocalciferol +14.125999	1.00	1.00
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oy...	1.00	1.00
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oy...	1.00	1.00
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oy...	1.00	1.00
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oy...	1.00	1.00
(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid	1.00	8645.50
(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid +6.4...	16895.67	1.00
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16be...	88960.33	88111.50
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16be...	3371.67	1701.75
2,5-Xylidine	1.00	1.00
2,5-Xylidine +4.17	3346.33	1.00
26:2(5Z,9Z)(24Me)	18169.00	17038.50
26,27-bisnor-22-dehydro-cholesterol	4382.33	3729.75
26:6(8Z,11Z,14Z,17Z,20Z,23Z)	11575.00	7993.50
2,6-Diamino-4-nitrotoluene	73131.67	1.00
2,6-Diamino-7-hydroxy-azelaic acid	8328.33	1639.25
2,6-Dibromophenol	1.00	3053.75
2,6-Dihydroxynicotinate	1.00	1726.50
2,6-Dimethoxyphenol	1.00	1.00
2,6-Dimethoxyphenol +3.6943333	1.00	10325.25
2,6-Dimethoxyphenol +4.351	1.00	8544.75
2,6-Dimethoxyphenol +4.426	1.00	14577.00
26-Hydroxybrassinolide	1.00	1.00
26-Hydroxybrassinolide +9.8955	1.00	1.00
(+)-2,7-Dideoxypancratistatin	1.00	1.00
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	9082.00	1.00
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol +8.912	1.00	1.00
27-Norcholestanehexol	9420.33	15770.75
2-(Acetamidomethylene)succinate	1.00	1.00
2-(Acetamidomethylene)succinate -1.3665	1.00	1.00
2-(Acetamidomethylene)succinate +1.835	1.00	1.00
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl...	1.00	1.00
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol...	1.00	1.00
2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-...	1820.00	1.00
2-Amino-1,2-bis(p-chlorophenyl)ethanol	1.00	1.00
2-Amino-1,2-bis(p-chlorophenyl)ethanol -2.138	1.00	1.00
2-Amino-1,2-bis(p-chlorophenyl)ethanol -2.1915	1.00	1.00
2-amino-14,16-dimethyloctadecan-3-ol	3374.33	2791.25
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine	1.00	1.00
2-Amino-2-deoxyisochorismate	1.00	1.00
2-Amino-2-deoxyisochorismate +3.3806667	1.00	3231.25
2-Amino-2-methyl-1-propanol	1.00	1.00
2-Amino-2-methylbutanoate	1.00	1.00
2-Amino-2-methylbutanoate -1.221	1.00	1.00
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	1.00	1.00
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid +0.9409999	3623.00	5652.25
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid +0.98	1.00	8285.50
2-Amino-3-carboxymuconate semialdehyde	43845.33	1.00
2-Amino-3-methyl-1-butanol	315236.67	216469.25
2-Amino-3-methyl-1-butanol +1.394	1.00	1.00
2-Amino-3-oxobutanoate	1.00	5526.50
2-amino-4-cyano-butanoic acid	1.00	1.00
2-amino-4^-hydroxy-Propiophenone	1035145.67	472400.25
2-amino-4^-hydroxy-Propiophenone +1.261	1.00	1.00
2-amino-4^-hydroxy-Propiophenone +1.397	1.00	11385.50
2-amino-4^-hydroxy-Propiophenone +3.274	1.00	1.00
2-amino-4^-hydroxy-Propiophenone +3.3716667	1.00	1.00
2-amino-4^-hydroxy-Propiophenone -3.4141874	1.00	1.00
2-amino-4^-hydroxy-Propiophenone +4.582	1.00	9886.50
2-Amino-4-oxo-6-(1^,2^,3^-trihydroxypropyl)-diquinoid-7,8-di...	1.00	1.00
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydro...	138738.00	89316.75
2-Amino-4-oxo-6-(erythro-1,2,3-trihydroxyprolyl)-7,8-dihydro...	345317.33	238532.25
2-Amino-5-nitrobenzophenone	1.00	1.00
2-Amino-5-oxohexanoate	12655.67	12885.75
2-Amino-5-oxohexanoate -0.968	1.00	1.00
2-Amino-5-oxohexanoate +1.0189091	829089.33	41331.75
2-Amino-5-oxohexanoate -1.6156667	1.00	1.00
2-Amino-5-oxohexanoate +2.9795	1.00	23042.50
2-Amino-5-oxohexanoate +3.136	1.00	1.00
2-Amino-5-oxohexanoate +3.2054286	8979.33	8291.75
2-Amino-5-oxohexanoate +3.3771667	17804.33	3905.25
2-Amino-5-oxohexanoate +3.466	3583.33	1.00
2-Amino-6-(benzylthio)purine	1.00	2080.50
2-amino-8-oxo-9,10-epoxy-decanoic acid	1.00	8832.25
2-amino-8-oxo-9,10-epoxy-decanoic acid +3.7764	1.00	8029.00
2-amino-8-oxo-9,10-epoxy-decanoic acid +3.838	1.00	1.00
2-amino-8-oxo-9,10-epoxy-decanoic acid +4.252	1.00	1.00
2-amino-tetradecanoic acid	1.00	1.00
2-amino-tetradecanoic acid +10.1380005	1.00	1.00
2-amino-tetradecanoic acid +10.649285	5458.00	5879.50
2-Benzimidazolinone, 1-(4-piperidyl)-	1.00	2432.75
2-Benzimidazolinone, 1-(4-piperidyl)- +5.5959997	66246.33	4641.00
2-Benzimidazolylguanidine	1.00	10636.25
2-Benzimidazolylguanidine +1.316	1.00	1.00
2-(beta-D-Glucosyl)-sn-glycerol	1.00	1.00
2-Butanone, 4-(6-hydroxy-2-naphthalenyl)-	1.00	1.00
2 -(Butylamido)-4-hydroxybutanoic acid	16467.67	5683.25
2 -(Butylamido)-4-hydroxybutanoic acid +1.0313749	20411.00	19669.25
2 -(Butylamido)-4-hydroxybutanoic acid +3.6035	1.00	1.00
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone	5128.00	4163.25
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone +11.952	1.00	1.00
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone +11.98	1.00	4461.75
2-carboxy-Pyrimidine	1.00	1.00
2-Chloro-3-oxoadipate	1.00	1.00
2-Chloro-3-oxoadipate -0.9786667	1.00	1.00
2-C-Methyl-D-erythritol 4-phosphate	1.00	1.00
2-Dehydro-3-deoxy-D-xylonate	3470.67	1.00
2-Dehydro-3-deoxy-L-rhamnonate	56221.33	57178.50
2-Dehydro-3-deoxy-L-rhamnonate -1.129	1.00	1.00
2-Dehydro-3-deoxy-L-rhamnonate +1.17475	14114.33	8460.75
2-Dehydro-3-deoxy-L-rhamnonate -1.2393333	1.00	1.00
2-Dehydro-3-deoxy-L-rhamnonate -1.3795455	1.00	1.00
2-Dehydro-3-deoxy-L-rhamnonate +1.3991429	2919.00	8195.25
2-Dehydro-3-deoxy-L-rhamnonate -1.619	1.00	1.00
2-Dehydro-3-deoxy-L-rhamnonate +1.6197144	2301.67	9622.00
2-Dehydro-3-deoxy-L-rhamnonate -1.65	1.00	1.00
2-Dehydro-3-deoxy-L-rhamnonate -3.361	1.00	1.00
2-Deoxy-2-dimethylamino-alpha-D-Glucose	3077.33	1.00
2-Deoxy-L-arabinose	1.00	1.00
2^-Deoxymugineic acid	211848.00	12066.25
2^-Deoxymugineic acid -1.064	1.00	1.00
2^-Deoxymugineic acid -1.271	1.00	1.00
2^-Deoxymugineic acid +1.2750714	342646.33	42371.50
2^-Deoxymugineic acid -3.044	1.00	1.00
2-Deoxy-scyllo-inosamine	11055.33	16157.75
2-Deoxy-scyllo-inosamine +0.97728574	19974.67	12513.00
2-Deoxy-scyllo-inosamine +1.1915	1.00	1.00
2-Deoxysepiapterin	16270.33	1.00
2-Deoxystreptidine	1.00	1.00
2^-Deoxyuridine	1.00	1.00
2^-Deoxyuridine -1.388	1.00	1.00
2^-Deoxyuridine -1.38975	1.00	1.00
2^-Deoxyuridine -2.449	1.00	1.00
2^-Deoxyuridine -2.5096667	1.00	1.00
2^-Deoxyuridine +2.52	1.00	1.00
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	8409.00	23419.00
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.067	1.00	30626.25
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.0676666	1.00	12251.00
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.068	8977.33	1.00
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.3945	9771.00	5222.50
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol +1.9165001	20420.33	38141.00
2(?-D-Mannosyl)-D-glycerate	12105.33	1.00
2E,4E,8E,10E-Dodecatetraenedioic acid	121733.00	93579.50
2E,4E,8E,10E-Dodecatetraenedioic acid +8.458	1.00	1.00
2E,4E-Hexadienyl acetate	18041.00	1.00
2E,8E-Undecadiene-4,6-diynoic acid	1.00	1650.75
2E,8E-Undecadiene-4,6-diynoic acid +1.1215	6697.33	6310.75
2E-hexenol	3192185.33	3238018.25
2E-hexenol +0.788	30967.00	1.00
2E-hexenol +1.022	1.00	1.00
2E-hexenol +1.5606154	305299.67	301621.50
2E-hexenol +1.605	1.00	17486.00
2E-hexenol +2.9462729	444683.33	395329.50
2E-hexenol +2.972	1.00	1.00
2-Ethylacrylylcarnitine	1.00	4511.50
2-(ethylamino)-4^-hydroxy-Propiophenone	1.00	1.00
2-(ethylamino)-4^-hydroxy-Propiophenone +1.2065	29525.33	1.00
2-Ethylisonicotinamide	3852.00	6238.75
2-Ethyltoluene	1.00	24995.75
2-Ethyltoluene +3.762	1.00	1.00
2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	1.00	1.00
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	1.00	5146.25
2-Formyloxymethylclavam	1.00	1.00
2-Formyloxymethylclavam +1.393	1.00	1.00
2-Formyloxymethylclavam -1.615	1.00	1.00
2-Formyloxymethylclavam +1.634	1884.00	1.00
2-glyceryl-PGF2?	1.00	20675.50
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-me...	1.00	1.00
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,...	1.00	1.00
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,...	1.00	1.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo-	1.00	1.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- +1.0816666	1.00	1.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- -1.085	1.00	1.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- +1.1303749	1.00	3814.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- -1.216	1.00	1.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- -1.6303333	1.00	1.00
2-Heptenoic acid, 6,7-dihydroxy-4-oxo- +3.46	1.00	12000.75
2-Hexynoic acid, 6-hydroxy-	167098.67	7473.00
2-Hexynoic acid, 6-hydroxy- +0.92766666	66817.67	45798.75
2-Hexynoic acid, 6-hydroxy- +11.009538	166749.33	170309.75
2-Hexynoic acid, 6-hydroxy- +1.632	1.00	1.00
2-Hexynoic acid, 6-hydroxy- +2.955	3929.67	1.00
2-Hexynoic acid, 6-hydroxy- +3.121	2135.33	1.00
2-Hexynoic acid, 6-hydroxy- -3.2995	1.00	1.00
2-Hexynoic acid, 6-hydroxy- -4.215	1.00	1.00
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)a...	1.00	1.00
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)a...	1.00	1.00
2^-Hydroxy-2,4^,6^-trimethoxychalcone	9112.00	15002.25
2^-Hydroxy-2,4^,6^-trimethoxychalcone +10.595875	172063.33	181129.75
2^-Hydroxy-2,4^,6^-trimethoxychalcone +10.615	1.00	1.00
2^-Hydroxy-2,4^,6^-trimethoxychalcone +10.6666	4404.67	1716.00
2-Hydroxy-2-hydropyrone-4,6-dicarboxylate	1.00	1.00
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone	9538.67	1.00
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +3.438	1.00	4115.00
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone +5.9145	1.00	2752.25
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -1.61633...	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -3.086	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -3.115	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -3.41425	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -4.0612	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -4.164	1.00	1.00
2-Hydroxy-3-carboxybenzalpyruvate	1.00	1.00
2-Hydroxy-3-carboxybenzalpyruvate -2.137	1.00	1.00
2-Hydroxy-3-carboxybenzalpyruvate -2.178	1.00	1.00
2-hydroxy-4- (methylthio) butyric acid	13256.67	1.00
2-Hydroxy-5-methylquinone	1.00	1.00
2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2,4-dienoate	9037.67	1.00
2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2,4-dienoate +1.193	1.00	1.00
2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2,4-dienoate +1.254	1.00	1.00
2-hydroxy-decanedioic acid	3792.67	1.00
2-hydroxy-decanedioic acid +5.992	1.00	1.00
2-Hydroxydesmethylimipramine glucuronide	1.00	1.00
2-Hydroxyethinylestradiol	1.00	1.00
2-Hydroxyethinylestradiol +3.848	1.00	1.00
2-Hydroxyethinylestradiol +5.0263333	1.00	1.00
2-Hydroxyfelbamate	128213.00	34327.25
2-Hydroxyimipramine glucuronide	1.00	3602.50
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	1.00	1.00
2-Hydroxymethylclavam	6609.00	3445.25
2-Hydroxymethylclavam +0.99785715	43105.67	12887.50
2-Hydroxymethylserine	1.00	3638.00
2-Hydroxypyridine	1.00	18653.25
2-Hydroxypyridine +1.1435	1.00	1.00
2-Hydroxypyridine +1.347	1.00	1.00
2-Indanone oxime	1.00	1.00
2-Indanone oxime -5.172	1.00	1.00
2-Iodophenol	106702.67	136331.25
2-Iodophenol methyl ether	2276.67	1.00
2-Iodophenol methyl ether +0.885	12839.00	1.00
2-Keto-3-deoxyoctonate (KDO)	7855.33	5341.50
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	1.00	1.00
2-Methoxyestradiol-17? 3-sulfate	1.00	1.00
2-Methoxyestradiol-17? 3-sulfate -5.388	1.00	1.00
2?-methyl-1?,25-dihydroxyvitamin D3 / 2?-methyl-1?,25-dihydr...	1.00	1.00
2-Methyl-3-Hydroxyethylenepyran-4-One	1.00	1.00
2methyl-3-ketovaleric acid	1.00	16715.50
2methyl-3-ketovaleric acid +1.041	1.00	2247.50
2methyl-3-ketovaleric acid +1.1388334	1.00	20279.50
2methyl-3-ketovaleric acid +1.144	1.00	1.00
2methyl-3-ketovaleric acid +1.302	1.00	1.00
2methyl-3-ketovaleric acid +1.3822	9424.33	1.00
2methyl-3-ketovaleric acid +3.3515	1672.33	1.00
2-methyl-3-oxo-propanoic acid	1.00	1.00
2-methyl-3-oxo-propanoic acid -1.282	1.00	1.00
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	1.00	1.00
2-methyl-3-Pyrimidin-2-yl-Propionic Acid +1.179	2299.00	1.00
2-methyl-3-Pyrimidin-2-yl-Propionic Acid +3.463	1.00	1.00
2-Methyl-5-hydroxytryptamine	1.00	2869.75
2-Methylbenzaldehyde	1.00	310969.50
2-Methylbenzaldehyde +1.222	1.00	1.00
2-methylbutanal oxime	1.00	1.00
2-Methylbutyroylcarnitine	4990.33	1752.50
2-Methylbutyroylcarnitine +9.005066	39206.33	45828.00
2-methyl-dodecanedioic acid	1.00	1.00
2-methylene-4-oxo-pentanedioic acid	1.00	1.00
2-methylene-4-oxo-pentanedioic acid -1.6615	1.00	1.00
2-methylene-4-oxo-pentanedioic acid -1.6930001	1.00	1.00
2-Methylene-5-(2,5-dioxotetrahydrofuran-3-yl)-6-oxo--10,10-d...	1.00	1.00
2-Methylerythritol	1.00	10566.25
2-Methylerythritol +1.197	3169.33	1.00
2-Methylpyridine	1.00	16800.00
2-Methylpyridine +3.658	1.00	4888.00
2-methyl-tridecanedioic acid	1.00	1.00
2-methyl-tridecanedioic acid -10.990562	1.00	1.00
2-methyl-tridecanedioic acid +11.010625	2640497.33	2602480.00
2-methyl-tridecanedioic acid +11.121	1.00	5215.25
2-methyl-tridecanedioic acid +8.999667	1.00	24425.25
2-methyl-tridecanedioic acid -9.25	1.00	1.00
2-methyl-tridecanedioic acid -9.444	1.00	1.00
2-methyl-undecanoic acid	1.00	1.00
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine	1.00	19518.25
2^-N-Acetylparomamine	1.00	1.00
2^-N-Acetylparomamine +1.402	1.00	1.00
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate	1.00	1.00
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate...	1.00	1.00
2-Naphthalenesulfonic acid	1.00	1.00
2-Naphthalenesulfonic acid -5.204	1.00	1.00
2-Naphthylalanine	1.00	1.00
2-Naphthylalanine +3.369	1.00	1.00
2-Nitrofuran	1.00	1.00
2-(N-morpholino)ethanesulfonic acid	1.00	1.00
2-(N-morpholino)ethanesulfonic acid -2.066	1.00	1.00
2-(N-morpholino)ethanesulfonic acid -2.18775	1.00	1.00
2-(N-morpholino)ethanesulfonic acid -2.6803334	1.00	1.00
2-O-Acetylpseudolycorine	1.00	6808.50
2-O-Acetylpseudolycorine +3.643	1.00	1.00
2-O-a-L-Fucopyranosyl-galactose	45565.00	19993.00
2-Oxazolidinone	1.00	1.00
2-Oxo-4-hydroxy-5-aminovalerate	1.00	1.00
2-Oxo-4-methylthiobutanoic acid	155489.33	133738.00
2-Oxo-4-methylthiobutanoic acid +1.039	1.00	1.00
2-Oxo-4-methylthiobutanoic acid -1.621	1.00	1.00
2-Oxo-6-methylthiohexanoic acid	1.00	1.00
2-Oxo-6-methylthiohexanoic acid +0.99	1.00	1.00
2-Oxo-6-methylthiohexanoic acid +1.354	1.00	9223.25
2-Oxo-7-methylthioheptanoic acid	1.00	1.00
2-Oxo-8-methylthiooctanoic acid	1.00	1.00
2-oxo-docosanoic acid	3454.00	1.00
2-oxo-docosanoic acid +7.677	1.00	1.00
2-oxo-dodecanoic acid	9014.00	64741.25
2-oxo-dodecanoic acid +5.554	1.00	1.00
2-oxo-dodecanoic acid +6.842	1.00	1.00
2-oxo-heneicosanoic acid	1.00	3671.25
2-oxo-octadecanoic acid	1.00	1.00
2-oxo-octadecanoic acid -11.7202	1.00	1.00
2-oxo-octadecanoic acid -12.188801	1.00	1.00
2-oxo-octadecanoic acid -12.331188	1.00	1.00
2-oxo-octadecanoic acid -12.407154	1.00	1.00
2-Oxosuberate	4756.67	3385.00
2-Oxosuberate +1.099	1.00	2153.00
2-Oxosuberate -1.385	1.00	1.00
2-Oxosuberate -1.616	1.00	1.00
2-Oxosuberate +1.629	1.00	1.00
2-Oxosuberate +3.4585	1.00	1.00
2-Oxosuberate +3.993	1.00	1.00
2-Oxosuccinamate	1.00	1.00
2-Phenylbutyrolactone	1.00	17463.00
2-Phenylbutyrolactone +11.496	5679.00	1.00
2-Phenylbutyrolactone +3.335	1.00	1.00
2-Phenylbutyrolactone +5.028	1.00	1.00
2-Phenylbutyrolactone +8.422928	43236.33	35836.00
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	1.00	1.00
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	2750.33	1.00
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	8376.33	1.00
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	1.00	5429.50
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	7992.67	5376.25
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	65068.00	22324.25
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	3462.67	1.00
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	1.00	1.00
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, ...	16707.00	1.00
2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile	1.00	1.00
2-Propylmalate	1.00	1.00
2-propyl-tridecanoic acid	1.00	1.00
2-Propynal	1.00	1.00
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole	2346.67	1.00
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole +...	2898.00	1.00
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole +...	1.00	1.00
2-Pyridylethanol	1.00	1.00
2-Pyridyl hydroxymethane sulfonic acid	1.00	1.00
2-Pyridyl hydroxymethane sulfonic acid -1.217	1.00	1.00
2-Pyrrolidinone, 4-(2-morpholinoethyl)-3,3-diphenyl-	1.00	3573.25
(2R)-2-Hydroxy-2-methylbutanenitrile	10514.00	3182.75
(2R)-2-Hydroxy-2-methylbutanenitrile +1.013	2407.67	1.00
(2R)-2-Hydroxy-2-methylbutanenitrile +1.0933334	37290.67	7221.75
(2R)-2-Hydroxy-2-methylbutanenitrile +3.5947497	9953816.00	12167139.75
(2R)-2-Hydroxy-2-methylbutanenitrile +4.152	1.00	1.00
(2R,4R)-2-phenylthiazolidine-4-carboxylic acid	1.00	1.00
(2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylat...	1.00	4079.00
(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-...	1.00	1.00
(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-...	1.00	1.00
(2R,4S)-2,4-Diaminopentanoate	1.00	1.00
(2R,4S)-2,4-Diaminopentanoate +0.8775	6554.33	8677.50
(2R,4S)-2,4-Diaminopentanoate +1.6775	1.00	9915.00
(2R)-5-Hydroxy-7,2^,3^-trimethoxyflavanone	1.00	1.00
(2R)-5-Hydroxy-7,2^,3^-trimethoxyflavanone -5.588	1.00	1.00
(2R)-5-Hydroxy-7,2^,3^-trimethoxyflavanone -5.8082504	1.00	1.00
(2R)-5-Hydroxy-7,2^,3^-trimethoxyflavanone -6.259	1.00	1.00
(2R)-5-Hydroxy-7,2^,3^-trimethoxyflavanone -6.953	1.00	1.00
2R-aminoheptanoic acid	191561.00	343019.25
2R-aminoheptanoic acid +0.95	155678.33	1.00
2R-aminoheptanoic acid +1.5124286	31358.33	1.00
2R-aminoheptanoic acid +1.54	1.00	35051.25
2R-aminoheptanoic acid +1.6209999	1.00	1.00
2R-aminoheptanoic acid +3.6745	1.00	12010.00
(2R)-O-Phospho-3-sulfolactate	1.00	1.00
(2S)-2-Phospholactate	1.00	1.00
(2S,2^S)-Oscillol 2,2^-di(?-L-fucoside)	1.00	1.00
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid	4697.67	1.00
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid +5.332	1.00	1.00
(2S)-4^-Hydroxy-5,7,3^-trimethoxyflavan	3659.00	27554.00
(2S)-5,6,7,8,4^-Pentamethoxyflavanone	5454.00	1.00
(2S)-5,7,3^,4^-Tetrahydroxyflavanone 3^-(6-p-coumaroylglucos...	1.00	1.00
(2S,5S)-trans-Carboxymethylproline	1.00	21000.00
(2S,5S)-trans-Carboxymethylproline +1.3425	1.00	3130.25
(2S,5S)-trans-Carboxymethylproline -1.3878	1.00	1.00
(2S,5S)-trans-Carboxymethylproline +1.388	1.00	1.00
(2S,5S)-trans-Carboxymethylproline +1.4008888	1.00	51359.25
(2S,5S)-trans-Carboxymethylproline +1.571	1.00	12667.50
2S-aminoheptanoic acid	1.00	1.00
(2^S)-Deoxymyxol 2^-(2,4-di-O-methyl-?-L-fucoside)	1.00	1.00
2-Succinylbenzoate	1.00	1.00
2-tridecenal	1.00	2672.00
2-undecenal	3628.33	1.00
3?,11-Dihydroxy-12-oxo-5?-chol-9(11)-en-24-oic Acid	1.00	2804.00
3?,11-Dihydroxy-12-oxo-5?-chol-9(11)-en-24-oic Acid +12.755	4044.67	1.00
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid	1.00	1.00
3?,12?-Dihydroxy-5?-chol-14-en-24-oic Acid	1.00	1.00
3?,12?-Dihydroxy-5?-chol-14-en-24-oic Acid -10.603313	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +10.118	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +10.622834	14272.67	216649.75
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +13.4415	4554.67	7360.25
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +13.735	6952.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +14.0494995	923857.33	944472.75
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +14.127	11793.00	7476.75
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +6.921	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +7.7832503	1.00	3879.25
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.1107	1.00	4215.75
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.371876	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.3793125	85092.67	169190.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.556749	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.707999	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.727333	46920.67	9014.50
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -9.8762865	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid +9.894125	351524.00	1557941.50
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +10.414666	4119.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -10.42025	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -10.5893755	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +10.608428	75420.33	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -8.99525	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.263	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.658465	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.662	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +9.691999	42568.67	11511.50
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -9.709938	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid +9.738	1.00	1.00
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid	1.00	1.00
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid +10.043	1.00	1.00
3,16-Dideoxymexicanolide-3?-Diol	1.00	1.00
3-(1-Carboxyvinyloxy)anthranilate	3992.33	1.00
3-(1-Carboxyvinyloxy)anthranilate +4.124	1.00	1.00
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	1.00	3449.25
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol ...	11448.67	1.00
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol ...	1.00	1.00
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol ...	1.00	1.00
3-(2^-Methylthio)ethylmalic acid	1.00	1.00
3-(3,4-Dihydroxyphenyl)lactate	1.00	1.00
3-(3,4-Dihydroxyphenyl)lactate -3.948	1.00	1.00
3-(3,4-Dihydroxyphenyl)pyruvate	1.00	32019.75
3,3-Bis(4-hydroxyphenyl)pentane	1.00	1.00
3,3-Bis(4-hydroxyphenyl)pentane +3.656	1.00	1.00
3,3^-Dichloro-4,4^-diaminodiphenyl ether	1.00	1.00
3,3^-Dimethoxybenzidine	1.00	1.00
3,3^-Dimethylbenzidine	1.00	1.00
3,3-Dimethyl-butanoic acid	1.00	2482.25
3-(3^-Methylthio)propylmalic acid	9100.67	3210.75
3,4,4^,alpha-Tetrahydroxy-2^-methoxydihydrochalcone	1.00	5858.25
3-(4-Chlorophenyl)-2H-1-benzopyran-2-one	1.00	1.00
3,4-Dihydroxy-3,4-dihydro-9-fluorenone	1.00	8137.75
3,4-Dihydroxyrottlerin	1.00	1.00
3,4-Dimethylbenzoic acid	1.00	1.00
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-h...	6795.00	7157.50
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-h...	1.00	1.00
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-h...	33497.33	43431.75
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-h...	1.00	1.00
3-(4^-Methylthio)butylmalic acid	8604.00	7589.75
3,5-Dichloro-2-methylmuconolactone	1.00	1.00
3,5-dichlorosalicylic acid	55406.00	1.00
3,5-dichlorosalicylic acid +0.839	1.00	1.00
3,5-Dihydroxy-6,7,8-trimethoxy-3^,4^-methylenedioxyflavone	1.00	1.00
3,5-Dimethoxyallylbenzene	1.00	23907.25
3,5-Dinitroguaiacol	1.00	1.00
3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol	1.00	1.00
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2...	1.00	1.00
3?,5?-Tetrahydronorethindrone glucuronide	1.00	1.00
3?,5?-Tetrahydronorethindrone glucuronide -7.1305	1.00	1.00
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid	1.00	1.00
3?,6?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid -7.139	1.00	1.00
3,6,8-Trimethylallantoin	1.00	1.00
3,6,8-Trimethylallantoin +2.513	1.00	1.00
3,6,8-Trimethylallantoin +3.46	1.00	5147.25
3,6-Dideoxy-L-galactose	1.00	7071.50
3,6-Dideoxy-L-galactose -3.166	1.00	1.00
3,6-dioxo-decanoic acid	5700.67	1.00
3,6-dioxo-decanoic acid +1.399	1.00	1.00
3,6-dioxo-decanoic acid +3.1081667	1.00	10719.50
3,6-dioxo-decanoic acid +3.1858	1.00	1.00
3,6-dioxo-decanoic acid +4.007	1.00	7707.25
3,6-dioxo-decanoic acid -6.607	1.00	1.00
3,6-dioxo-decanoic acid +6.6210003	1.00	6073.25
3-(6^-Methylthio)hexylmalic acid	292003.67	150513.00
(+)-3,7(11)-Acoradiene	5362.67	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	1.00	11315.25
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -6.845	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +6.852	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7.1183333	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.214	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7.36	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.381	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7.463222	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.4744287	1.00	28216.25
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.7910004	1.00	5252.25
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7.794	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7.796	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.8082	5570.67	11172.75
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -7.858167	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.87575	41135.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +7.918	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8.187	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8.254	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8.398167	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8.404667	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8.414333	59572.67	12982.50
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8.418333	1.00	5818.25
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +8.462999	6741.67	4834.75
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -8.94	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -9.009	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid +9.029	1.00	1.00
3?,7?,12?-Trihydroxy-5?-cholan-24-oic Acid	1.00	1.00
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid	1.00	1.00
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid -7.724	1.00	1.00
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid -7.9282503	1.00	1.00
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid -7.979	1.00	1.00
3,7,12-Trioxochola-1,4-dien-24-oic Acid	1.00	1727.75
3,7-Dimethyl-2Z,6-octadienyl acetate	1.00	1.00
3,7-Dimethyl-8,11-dioxo-2E,6E,9E-dodecatrienal	12224.67	3696.75
(3a,5b,7b,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-...	1.00	1.00
3-Acetamidopropanal	1.00	5299.25
3-Acetamidopropanal +1.045	1113061.33	926420.25
3-Acetamidopropanal +1.3972857	274484.33	264743.75
3-Acetamidopropanal +1.5724286	66155.00	48603.25
3-Acetamidopropanal +1.7176666	702807.33	62423.00
3-Acetamidopropanal +1.7515	172649.33	1.00
3-Acetamidopropanal +1.8041	1625128.33	120672.50
3-Acetamidopropanal +2.331	1.00	9823.75
3?-Acetoxydeoxodihydrogedunin	1.00	1.00
3?-Acetoxydeoxodihydrogedunin -6.337	1.00	1.00
3?-Acetoxydeoxyangolensic Acid, Methyl Ester	1.00	1.00
3-Acetylnerbowdine	1.00	1.00
3alpha,11-Dihydroxy-12-oxo-5beta-chol-9(11)-en-24-oic Acid	1.00	1.00
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate	1.00	1.00
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate -7.1...	1.00	1.00
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate -9.2...	1.00	1.00
3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	1.00	1.00
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic A...	1.00	1.00
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic A...	1.00	1.00
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-2...	4066.67	1.00
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-choles...	18943.00	26508.50
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-choles...	56486.33	1.00
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic ...	1.00	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	8127.67	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +6.6...	4771.33	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +7.1...	12067.33	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide +8.1...	39429.33	1.00
3-Aminobenzamide	7659.33	1.00
3-Amino-L-Tyrosine	1.00	1.00
3-Amino-L-Tyrosine +2.412	1.00	1.00
3-Amino-L-Tyrosine +2.4759998	1.00	1.00
3-Amino-L-Tyrosine +2.477	1.00	1.00
3-Amino-L-Tyrosine +4.00475	1.00	3867.75
3-Amino-L-Tyrosine +4.35	1.00	1.00
3-Aminopropanesulphonic Acid	1.00	1.00
3-Aminoquinoline	1.00	3219.50
3-Aminoquinoline +12.6012	7051.00	1.00
3-Aza-A-homocholest-4a-en-4-one	18088.00	1.00
3b,16a-Dihydroxyandrostenone sulfate	1.00	1.00
3b,16a-Dihydroxyandrostenone sulfate -5.864	1.00	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol	1.00	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol -9....	1.00	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol -9....	1.00	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol -9....	1.00	1.00
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole	1.00	1.00
3^-Bromo-6^-hydroxy-2^,4,4^-trimethoxychalcone	1.00	1.00
3-Buten-1-amine	1.00	1.00
3-Buten-1-amine +0.895	5861.67	1.00
3-Buten-1-amine +1.036889	15283.67	71077.50
3-Buten-1-amine +1.038	56882.67	1.00
3-Buten-1-amine +1.2847999	25456.00	1.00
3-Buten-1-amine +1.334	1.00	1.00
3-Butylidene-7-hydroxyphthalide	36987.00	36536.00
3-Butylidene-7-hydroxyphthalide +1.0815	1.00	7615.00
3-Butylidene-7-hydroxyphthalide +11.9375	1.00	1.00
3-Butylidene-7-hydroxyphthalide +11.980751	41184.00	38536.50
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	1.00	2279.00
3-Chloro-2-hydroxymuconic semialdehyde	1.00	1.00
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	1006091.67	651153.25
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone +0.8845	1.00	204397.75
3-Chlorophenol	1.00	1.00
3-cis-Hydroxyglipizide	1.00	1.00
3-cis-Hydroxyglipizide -3.276	1.00	1.00
3-cis-Hydroxyglipizide -3.3811996	1.00	1.00
3-cis-Hydroxyglipizide -3.454	1.00	1.00
3-cis-Hydroxyglipizide -3.581	1.00	1.00
3-Deazaneplanocin A	23226.67	5923.00
3-Deazaneplanocin A +1.1705	1.00	2716.25
3-Deazaneplanocin A +1.294	1.00	20003.25
3-Deazaneplanocin A +1.356	1.00	1.00
3-Deazaneplanocin A +1.3970999	101600.00	26400.25
3-Dehydrocarnitine	202736.00	110314.75
3-Dehydrocarnitine +1.0832727	103272.67	93237.50
3-Dehydrocarnitine +3.0684664	110980.33	105172.25
3-Dehydrocarnitine +3.5965626	126873.00	129321.25
3-Dehydrocarnitine +3.9348333	23697.00	1.00
3-Dehydrocarnitine +4.2675	8742.00	1.00
3-Dehydrocarnitine +4.459	3388.67	1.00
3-Deoxyestradiol	18470.67	1.00
3-Deoxyguanosine	47430.00	17001.75
3-Deoxyguanosine -3.082	1.00	1.00
3^-Deoxystreptomycin 6,3^^-bis-phosphate	40636.00	27576.25
3-Dimethylallyl-4-hydroxymandelic acid	10023.00	1.00
3-Dimethylallyl-4-hydroxymandelic acid -6.972	1.00	1.00
3-Epihydroxymugineic acid	1.00	1.00
3-Epihydroxymugineic acid -3.674	1.00	1.00
3-Epihydroxymugineic acid +3.8194	58635.67	10164.75
3E-tetradecenoic acid	7549.00	1.00
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	1.00	1.00
3-Furoic acid	1.00	7353.00
3-Geranyl-4,2^,4^,6^-tetrahydroxy-5-prenyldihydrochalcone	9133.67	1.00
3-Geranyl-4,2^,4^,6^-tetrahydroxy-5-prenyldihydrochalcone +6...	1.00	1.00
3-Guanidinopropanoate	1.00	36231.25
3-Gymnomitren-15-al	6943.33	1.00
3-hexenedial	1.00	1.00
3-hexenedial +1.613	1.00	1.00
3-hexenedial +3.263	4919.33	1.00
3-hexenedial +3.991	1.00	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid	16033.00	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +10.012644	46918.00	148283.25
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +7.488333	1.00	3143.50
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +8.414666	5725.67	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +9.644	1.00	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid +9.7155	1.00	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid -9.721	1.00	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid -9.993818	1.00	1.00
3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one	1.00	1.00
3-Hydroxy-1-indanone	7035.33	2384.25
3-Hydroxy-1-indanone +10.597	78189.33	76888.50
3-Hydroxy-1-indanone +5.62	5072.67	1.00
3-Hydroxy-1-indanone +6.8403754	72701.33	73020.25
3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one	1.00	1.00
3-Hydroxy-2-methyl-1H-quinolin-4-one	11898.00	1.00
3-hydroxy-3-methyl-2-oxo-pentanoic acid	181245.33	184276.25
3-hydroxy-3-methyl-2-oxo-pentanoic acid -3.9445999	1.00	1.00
3-hydroxy-3-methyl-2-oxo-pentanoic acid -4.099	1.00	1.00
3-hydroxy-3-methyl-2-oxo-pentanoic acid -4.482	1.00	1.00
3?-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene	1.00	1.00
3-Hydroxy-4H-pyrid-4-one	6340.33	3750.50
3?-Hydroxy-5?-chol-7-en-24-oic Acid	59628.67	94548.50
3?-Hydroxy-5?-chol-7-en-24-oic Acid +13.603	1.00	3619.75
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid	1.00	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +10.62175	1.00	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +6.729	1.00	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +7.197333	1.00	3453.75
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +7.788667	26615.00	25526.25
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +7.8745	1.00	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +8.216499	8739.33	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +8.772	1.00	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +9.3775	1.00	7052.25
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +9.728	1.00	1.00
3?-Hydroxy-5?-chola-7,9(11)-dien-24-oic Acid +9.894357	46005.00	121788.00
3-Hydroxy-7-aminonitrazepam	1.00	1.00
3-?-hydroxyandrost-5-en-17-one sulfate	1.00	1.00
3-Hydroxyanthranilic acid	8238.67	1.00
3-Hydroxyanthranilic acid +3.4177997	1.00	40458.50
3-Hydroxyanthranilic acid +3.422	1.00	1.00
3-Hydroxybenzyl alcohol	1.00	1.00
3-Hydroxybenzyl alcohol -3.7715	1.00	1.00
3-Hydroxybenzyl alcohol -5.822	1.00	1.00
3-Hydroxybiphenyl	1.00	1.00
3-Hydroxybiphenyl +4.923	1.00	1.00
3?-Hydroxydeoxydesacetoxy-7-Oxogedunin	2882.33	1.00
3-?-Hydroxydeoxygedinin	1.00	1.00
3-Hydroxy-DL-kynurenine	1.00	1.00
3-hydroxy-dodecanedioic acid	1.00	3561.50
3-hydroxy-dodecanedioic acid +1.624	1.00	1.00
3-hydroxy-dodecanedioic acid -6.1946664	1.00	1.00
3-hydroxy-dodecanedioic acid +6.2046666	1.00	1.00
3-hydroxy-dodecanedioic acid +6.212	1.00	1.00
3-hydroxy-dodecanedioic acid +6.415	1.00	1.00
3-hydroxy-dodecanedioic acid +6.4586997	36928.00	30374.75
3-hydroxy-dodecanedioic acid +6.4741435	18601.00	3683.50
3-hydroxy-dodecanedioic acid -6.49	1.00	1.00
3-hydroxy-dodecanedioic acid +6.4945	1.00	1.00
3-hydroxy-dodecanedioic acid +7.204	1.00	1.00
3-hydroxy-dodecanedioic acid +7.348	1.00	1.00
3-hydroxy-dodecanedioic acid +7.367	1.00	1792.00
3-hydroxy-dodecanedioic acid +7.8010716	77608.67	85401.25
3-hydroxy-dodecanedioic acid +7.812	1.00	1.00
3^^-Hydroxy-geranylhydroquinone	1.00	1.00
3^^-Hydroxy-geranylhydroquinone +1.286	1.00	1.00
3^^-Hydroxy-geranylhydroquinone +3.132	1.00	1.00
3-Hydroxyhexobarbital	1.00	1.00
3-Hydroxyhexobarbital +1.403	1.00	1.00
3-Hydroxyisovalerylcarnitine	1.00	34457.75
3-Hydroxymethyltriazolopthalazinone	1.00	1.00
3-Hydroxy-N-methylpyridinium	9841.00	29447.75
3-Hydroxy-OPC4-CoA	1.00	1.00
(+)-3-hydroxy pelargonic acid	15896.67	1.00
3-hydroxy-phenylglycol	1.00	1.00
(3-Hydroxyphenyl)trimethylammonium	1.00	1.00
3-Hydroxypromazine glucuronide	1.00	1.00
3-Hydroxypromazine sulfoxide	1.00	1.00
3-Hydroxypropenoate	1.00	1.00
3-Hydroxyquinaldic acid	1.00	1.00
3-Hydroxystachydrine	1.00	1.00
3-Hydroxystachydrine +0.946	1.00	1.00
3-Hydroxystachydrine +3.933	8081.33	1.00
3-hydroxy-suberic acid	1.00	1.00
3-hydroxy-tetradecanedioic acid	1.00	1.00
3-Indoleacetic Acid	1.00	1.00
3-Indolebutyric acid	1.00	1.00
3-Indolebutyric acid +3.703	1.00	1.00
3-Indolebutyric acid +5.205	1.00	1.00
3-Indolecarboxylic acid	1.00	10293.00
3-Indolecarboxylic acid +3.219	1.00	10806.50
3-Isopropyl-3-butenoic acid	1.00	1.00
3-Isopropyl-3-butenoic acid -5.531	1.00	1.00
3-Isopropyl-3-butenoic acid -5.555	1.00	1.00
3-Isopropyl-3-butenoic acid -5.851	1.00	1.00
3-Isopropylcatechol	1.00	1.00
3-Isopropylcatechol +12.210334	1.00	4901.00
3-Isopropylcatechol +1.394	1.00	1.00
3-Isopropylcatechol -4.414	1.00	1.00
3-Isopropylcatechol +4.959	1.00	9348.75
3-Keto-beta-D-galactose	1.00	1.00
3-keto palmitic acid	1.00	1.00
3-keto palmitic acid +11.501	1.00	4059.50
3-keto palmitic acid +7.638	1.00	1.00
3-ketosphingosine	33472.67	9906.00
3-ketosphingosine +11.909453	13390.33	39533.75
3-ketosphingosine +11.975686	37431.00	36144.75
3-maleylpyruvic acid	1.00	1.00
3-Mercapto-2-mercaptomethylpropanoate	38256.00	1.00
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol	1.00	1.00
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol +4.4...	1.00	1.00
3-Methoxyestra-1,3,5(10),16-tetraene	1.00	10415.00
3-Methoxyestra-1,3,5(10),16-tetraene +8.563	4572.67	3358.75
3-Methoxyestra-1,3,5(10),16-tetraene +9.08	1.00	2534.00
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime	1.00	6947.50
3-methyl-2,5-dioxo-3-Pyrrolidineacetic acid	4612.67	2940.00
3-Methyl-2-thiohydantoin	1.00	1.00
3-methyl-adipic acid	1.00	6637.75
3-methyl-adipic acid -1.777	1.00	1.00
3-methyl-adipic acid -3.071	1.00	1.00
3-methyl-adipic acid -3.408	1.00	1.00
3-methyl-adipic acid -4.693333	1.00	1.00
3-methyl-adipic acid +4.7	1.00	1.00
3-methyl-adipic acid -5.3188887	1.00	1.00
3-Methylamino-1,2-propandiol	30672.00	16394.25
(3-Methylcrotonyl)glycine methyl ester	1.00	1.00
3-Methylcytosine	1.00	1.00
3-Methyl-L-histidine	63131.33	215603.50
3-Methylorsellinic Acid	1.00	1.00
3-Methylorsellinic Acid +3.804	1.00	1.00
3-Methylorsellinic Acid +4.2314997	1.00	9872.00
3-Methylsuberic acid	1.00	9154.25
3-methyl-tetradecanedioic acid	6912.00	10501.75
3-methyl-tetradecanedioic acid -6.133	1.00	1.00
3-methyl-tetradecanedioic acid -6.503	1.00	1.00
3-Methyluridine	1.00	1.00
3-Methyluridine +3.235	1.00	6446.75
3-(N-Nitrosomethylamino)propionaldehyde	48827.33	1.00
3-(N-Nitrosomethylamino)propionitrile	155973.33	1763235.25
3-(N-Nitrosomethylamino)propionitrile -1.041	1.00	1.00
3-(N-Nitrosomethylamino)propionitrile +1.237	12122.67	1.00
3-O-Benzyl-4,5-O-(1-methylethyldiene)-b-D-fructopyranose	3423.33	1.00
3-Octanone	1.00	1.00
3-Octanone -8.212	1.00	1.00
3-o-Ethyl-L-ascorbic acid	1.00	1.00
3-O-(Glcb)-6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha,23...	1.00	1.00
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid	3571.67	1.00
3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid +5....	1.00	1.00
3-O-Methylisoproterenol	1.00	1.00
3-O-Methylrimiterol	1.00	1.00
3-O-Methylrimiterol +1.7082499	1.00	1.00
3-O-(Rhaa1-3Glcb1-2(Glcb1-3)Glcb1-4Galb)-(25R)-5alpha-spiros...	1.00	6545.25
3-O-(Rhaa1-3Glcb1-2(Glcb1-3)Glcb1-4Galb)-(25R)-5alpha-spiros...	1.00	1.00
3-O-(Rhaa1-3Glcb1-2(Glcb1-3)Glcb1-4Galb)-(25R)-5alpha-spiros...	1.00	9285.25
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-9-methyl-7...	1.00	1.00
3-oxo-4-methyl-pentanoic acid	1.00	3385.00
3-oxo-4-methyl-pentanoic acid +1.365	11462.33	1.00
3-oxo-4-methyl-pentanoic acid -3.973	1.00	1.00
3-oxo-4-methyl-pentanoic acid -4.18	1.00	1.00
3-Oxo-5alpha-cholan-24-oic Acid	8911.67	2870.50
3-Oxo-5alpha-cholan-24-oic Acid -12.094251	1.00	1.00
3-Oxo-5beta-chola-7,11-dien-24-oic Acid	1.00	1.00
3-Oxo-5beta-chola-7,11-dien-24-oic Acid +8.439501	1.00	1.00
3-Oxo-5?-chola-7,11-dien-24-oic Acid	1.00	4193.50
3-oxo-adipic acid	1.00	1.00
3-oxo-dodecanoyl-CoA	1.00	1.00
3-oxo-heptadecanoic acid	1.00	1964.50
3-oxo-nonanoic acid	1.00	1.00
3-oxo-nonanoic acid +3.0314002	1.00	1.00
3-oxo-nonanoic acid +3.1539998	1.00	1.00
3-oxo-nonanoic acid +3.24375	1.00	1.00
3-oxo-nonanoic acid +5.157	1.00	61715.25
3-oxo-nonanoic acid +5.225	1.00	29983.00
3-oxo-nonanoic acid +6.401	7263.00	8898.00
3-oxo-nonanoic acid +6.9079995	1.00	2752.25
3-oxo-nonanoic acid -6.939	1.00	1.00
3^-Oxopentobarbitone	1.00	1.00
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime	1.00	1.00
3-oxo-tridecanoic acid	10106.67	12311.75
3-O-(Xylb1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spiros...	1.00	7014.00
3-Phenylpropionaldoxim	1.00	1.00
3-Phenylpropionaldoxim +6.21	1.00	1.00
3-Phenylpropionaldoxim +7.16	1898.00	1.00
(3-Phenylpropionyl)glycine methyl ester	1.00	1.00
3-(Phosphoacetylamido)-L-alanine	1.00	1.00
3-Prenyl-4-Hydroxyacetophenone	1.00	1.00
3-(Pyrazol-1-yl)-L-alanine	14610.00	1.00
3-(Pyrazol-1-yl)-L-alanine -0.877	1.00	1.00
3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-Propionic Acid	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid +5.068	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid -5.1804996	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid +6.0015	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid -6.293	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid -6.5519996	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid +6.89	1.00	1.00
(3R,3^R,6^R,13-cis)-b,e-Carotene-3,3^-diol	1.00	1.00
3R-hydroxy-tridecanoic acid	1.00	1.00
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid	1.00	12742.50
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid +1.624	4572.33	1.00
3S-hydroxy-dodecanoic acid	1.00	1.00
3^-Sialyllactosamine	1.00	1.00
3^-Sialyllactosamine -6.914	1.00	1.00
3-tert-Butyl-5-methylcatechol	1.00	1.00
3-tert-Butyl-5-methylcatechol +5.1955004	1.00	11525.50
4,10-undecadiynal	1.00	1.00
4,10-undecadiynal +1.316	1.00	1.00
4,10-undecadiynal +5.192	1.00	9653.50
4,12-dihydroxy-hexadecanoic acid	1.00	1.00
4,12-dihydroxy-hexadecanoic acid +10.441308	16536.67	10281.00
4,12-dihydroxy-hexadecanoic acid -8.21	1.00	1.00
4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol	1.00	1.00
4-(1-Ethyl-2-phenylbutyl)phenol	3940.67	1.00
4-(1-Ethyl-2-phenylbutyl)phenol +5.881	1.00	1.00
4-(1-piperazinyl)-1H-Indole	1.00	1.00
4-(1-piperazinyl)-1H-Indole +1.393	1.00	10102.25
4-(1-piperazinyl)-1H-Indole +1.408	1.00	1.00
4-(1-piperazinyl)-1H-Indole +1.6235	1.00	1.00
4-(2-Aminophenyl)-2,4-dioxobutanoic acid	1.00	1.00
4-(2-Benzofuranyl)pyridine	1.00	1.00
4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid	1.00	1.00
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acetic acid	1.00	1.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol	1.00	1.00
4-(4-Deoxy-?-D-gluc-4-enuronosyl)-D-galacturonate	1.00	1.00
4-(4-Deoxy-?-D-gluc-4-enuronosyl)-D-galacturonate -0.933	1.00	1.00
4,4^-Diapolycopene	1.00	1.00
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-on...	1.00	1.00
4,4-Difluoropregn-5-ene-3,20-dione	7651.33	1.00
4,4-Difluoropregn-5-ene-3,20-dione +4.003	1.00	12356.00
4,4^-dihydroxy-3,5-dimethoxydihydrostilbene	14249.33	1.00
4,4^-dihydroxy-3,5-dimethoxydihydrostilbene +3.1365	1.00	1.00
4,4-Disubstituted cyclohexenone	1.00	1.00
4,4-Disubstituted cyclohexenone +5.009	1.00	12125.75
4,4^-Methylenebis(2,6-di-tert-butylphenol)	1.00	1.00
4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole	1.00	1.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	3789579.33	3091659.75
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol -1.042	1.00	1.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol -1.346	1.00	1.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +1.3558462	432215.67	1198696.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +1.4855001	1.00	5588.50
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol +1.624	1.00	6385.50
4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-yl]methyl]-...	1.00	1.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	129516.33	1.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	332659.67	1.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	298247.00	54335.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	1.00	3567.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	9938.00	1.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	8503.33	1.00
4,5-didemethylsimmondsin	8611.00	1.00
4,5-didemethylsimmondsin +0.936	1.00	1.00
4,5-didemethylsimmondsin +1.398	1.00	1.00
4,5-didemethylsimmondsin +4.012	1.00	1.00
4,5^-Dimethylangelicin	1.00	1.00
4,5-epoxy-17R-HDHA	49715.67	50536.75
4,5-hexadienal	1.00	1999.75
4,5-hexadienal +1.4	1.00	1.00
4,5-hexadienal +4.335	1.00	1.00
4,6,11-hexadecatrienal	1.00	1.00
4,6,2^,4^-Tetramethoxychalcone 2^-beta-glucoside	7706.33	1.00
4,6,2^,4^-Tetramethoxychalcone 2^-beta-glucoside -3.26	1.00	1.00
4,7,10,13,16-Docosapentaynoic acid	1.00	1.00
4,7,10,13,16-Docosapentaynoic acid +5.203	1.00	1.00
4,7-dioxo-octanoic acid	1.00	1.00
4,7-dioxo-octanoic acid +2.989	1.00	1.00
4,7-dioxo-octanoic acid +3.272	1.00	4136.75
4,7-dioxo-octanoic acid +3.985	1.00	1.00
4,7-dioxo-octanoic acid +4.490667	1.00	2736.25
4,7-dioxo-octanoic acid +6.0295	1.00	1.00
4-Acetamido-2-amino-6-nitrotoluene	1.00	1.00
4-Amino-1-piperidinecarboxylic acid	41671.33	1.00
4-Amino-2-methyl-5-phosphomethylpyrimidine	155581.33	152353.50
4-Amino-2-nitrophenol	4558.00	1.00
4-Amino-2-nitrotoluene	15805.33	65177.50
4-Amino-2-nitrotoluene +1.0895	1.00	5364.50
4-Amino-2-nitrotoluene +1.3953333	5415.33	7711.75
4-Amino-2-nitrotoluene +1.662	31740.33	1.00
4-Amino-2-nitrotoluene +1.7255001	64778.33	1.00
4-Amino-2-nitrotoluene +2.89	23922.00	1.00
4-Amino-2-nitrotoluene +2.9259999	23234.33	31846.25
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	1.00	2703.75
4-Amino-7-chloroquinoline	1.00	1.00
4-Aminobenzenesulfonate	23685.67	1.00
4-Aminobenzenesulfonate +1.001	1.00	1.00
4-Aminoestra-1,3,5(10)-triene-3,17beta-diol	1.00	1.00
4-Aminomethylindole	12687.33	6536.50
4-Aminomethylindole +1.2696667	3301.67	2622.25
4-Aminomethylindole +1.6236668	1.00	6598.25
4-Aminomethylindole +3.019	1.00	1.00
4-Aminomethylindole +3.87	1.00	1.00
4-Aminostilbene	1.00	1.00
4-Benzyloxy-2^-hydroxy-3^,4^,5^,6^-tetramethoxychalcone	1.00	1.00
4-Bromophenylthiourea	1.00	1.00
4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate	1.00	7324.25
4-Carboxy-4-hydroxy-2-oxoadipate	1.00	1.00
4-Carboxy-4-hydroxy-2-oxoadipate -1.6894999	1.00	1.00
4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol	1.00	1.00
4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol -1.379	1.00	1.00
4-Chlorotestosterone	1.00	1.00
4-Coumaryl alcohol	1.00	2683.00
4-Dedimethylamino-4-oxo-anhydrotetracycline	1.00	1.00
4-Dedimethylamino-4-oxo-anhydrotetracycline -4.397	1.00	1.00
4^-Desmethylpapaverine	1.00	1.00
4-(?-D-Glucosyloxy)benzoate	1.00	6439.50
4-(?-D-Glucosyloxy)benzoate -1.384	1.00	1.00
4-(dimethylamino)cinnamaldehyde	35253.33	14473.00
4-Dimethylamino-L-phenylalanine	16310.33	1.00
4-Dimethylamino-L-phenylalanine +1.395	9422.00	1.00
4-Dimethylamino-L-phenylalanine +1.671	1.00	1.00
4-Dimethylamino-L-phenylalanine +1.715	1.00	1.00
4-Dimethylamino-L-phenylalanine +2.431	1.00	1.00
4-Dimethylamino-L-phenylalanine +2.5247502	1.00	1.00
4-Dimethylamino-L-phenylalanine +3.0612497	20288.67	1.00
4-Dimethylamino-L-phenylalanine +3.1338997	356627.33	42567.50
4-Dimethylamino-L-phenylalanine +3.434	1.00	1.00
4-Dimethylamino-L-phenylalanine +4.145	1.00	1.00
(4E,6E,d14:2) sphingosine	2024.33	1.00
(4E,6E,d14:2) sphingosine +9.336	1.00	1.00
(4E,8E,10E-d18:3)sphingosine	44150.00	43078.50
(4E,8E,10E-d18:3)sphingosine +11.432125	31518.67	32445.50
(4E,8E,10E-d18:3)sphingosine +11.493625	54527.67	57330.25
(4E,8E,10E-d18:3)sphingosine +11.649876	35306.67	37496.50
(4E,8E,10E-d18:3)sphingosine +8.002	1.00	1.00
4E,9Z-Tetradecadienal	28419.00	19325.00
4E,9Z-Tetradecadienal +10.130666	24658.67	47940.50
4E,9Z-Tetradecadienal +10.207429	36325.33	52939.75
4E,9Z-Tetradecadienal +3.109	7992.00	1.00
4E-Tridecenyl acetate	3566.67	2674.25
4E-Tridecenyl acetate -12.365	1.00	1.00
4-Formylsalicylic acid	1.00	1.00
4-Formylsalicylic acid +1.135	1.00	2924.75
4-Guanidino-1-butanol	68479.67	36038.00
4-Guanidino-1-butanol +1.015	1.00	1.00
4-Guanidino-1-butanol +1.0315001	1.00	7535.00
4-Heptyloxyphenol	4020.67	5741.75
4-Heptyloxyphenol +13.204749	18932.33	16424.50
4-Heptyloxyphenol +13.2355	1.00	8339.50
4-Heptyloxyphenol +13.286	3054.33	1.00
4-Heptyloxyphenol +1.6229999	5189.00	1.00
4-Heptyloxyphenol +5.183	1.00	1.00
4-Heptyloxyphenol +7.8545	19672.67	1874.00
4-Heptyloxyphenol -9.54677	1.00	1.00
4-Heptyloxyphenol +9.58	1.00	4259.75
4-Heptyloxyphenol -9.597	1.00	1.00
4-Heptyloxyphenol -9.613728	1.00	1.00
4-heptynoic acid	1.00	1.00
4-hydroperoxy 2-Nonenal	1.00	1.00
4-Hydroxy-2^,3,5,5^-tetrachlorobiphenyl	1.00	1.00
4-hydroxy-2-oxo-Heptanedioic acid	1.00	1.00
4-hydroxy-2-oxo-Heptanedioic acid -1.386	1.00	1.00
4-hydroxy-2-oxo-Heptanedioic acid -3.1073334	1.00	1.00
4-Hydroxy-2-quinolone	1.00	1.00
4-Hydroxy-2-quinolone -3.6728334	1.00	1.00
4-Hydroxy-2-quinolone +3.684	1.00	1.00
4-Hydroxy-2-quinolone -4.4744997	1.00	1.00
4-Hydroxy-2-quinolone +4.4979997	1.00	15107.50
4-Hydroxy-2-quinolone -5.068	1.00	1.00
4-Hydroxy-2-quinolone +5.0705	19757.67	1.00
4-Hydroxy-3-nitrosobenzamide	1.00	9035.75
4-Hydroxy-6-methylpretetramide	1.00	1.00
4-hydroxy caproaldehyde	1.00	2831.50
4-hydroxy caproaldehyde +8.423	6151.67	4231.75
4-Hydroxycinnamic acid	361344.33	196769.50
4-Hydroxycinnamic acid +1.4	4830.67	1.00
4-Hydroxycinnamic acid +9.474999	1.00	7215.50
4-Hydroxycinnamic acid +9.477142	29881.67	21418.25
4-Hydroxyethinylestradiol	1.00	1.00
4-Hydroxyethinylestradiol -10.402818	1.00	1.00
4-Hydroxyethinylestradiol -10.454134	1.00	1.00
4-Hydroxyethinylestradiol -10.5929985	1.00	1.00
4-Hydroxyethinylestradiol +5.04	1.00	1.00
4-Hydroxyfurano[2^^,3^^:6,7]aurone	1.00	1.00
4-(Hydroxylamino)-N,N-dimethylaniline	1.00	1.00
4-(Hydroxylamino)-N,N-dimethylaniline +4.663	8570.33	1.00
4-Hydroxy-L-proline	12169.00	3258.00
4^-Hydroxyminoxidil	1.00	13479.75
4-Hydroxy-N-desmethyltamoxifen	1.00	3554.50
4-Hydroxyoxprenolol glucuronide	3814.33	1.00
4^-Hydroxypenbutolol glucuronide	1.00	1.00
4^-Hydroxypenbutolol glucuronide -6.903	1.00	1.00
4^-Hydroxypenbutolol glucuronide -7.285	1.00	1.00
4-Hydroxyphenyl-4-hydroxybenzoate	1.00	1.00
4-Hydroxyphenyllactic acid	1.00	6409.25
4-Hydroxyphenyllactic acid +1.032	1.00	1.00
4-Hydroxyphenyllactic acid +1.2379999	1.00	10672.75
4-Hydroxyphenyllactic acid +1.382	4827.67	10242.50
4-Hydroxyphenyllactic acid +3.3095	1.00	1.00
4^-Hydroxytrimethoprim	26373.00	23986.00
4^-Hydroxytrimethoprim +3.046	18816.33	1.00
4^-Hydroxytrimethoprim +3.136	10850.67	1.00
4^-Hydroxytrimethoprim +4.059	1.00	1.00
4^-Hydroxytrimethoprim +7.9788747	91378.00	118756.25
4^-Hydroxytrimethoprim +7.993	1.00	1.00
4-Isopropylbenzoic acid	1.00	5622.75
4-Isopropylbenzoic acid +11.291	1.00	2824.50
4-Isopropylbenzoic acid +1.4	1.00	1.00
4-Ketocyclophosphamide	1.00	1.00
4-keto palmitic acid	321336.33	219707.00
4-keto palmitic acid +10.478467	390715.00	230623.50
4-keto palmitic acid +11.285385	26693.33	25439.25
4-keto palmitic acid +11.414	11108.33	14402.50
4-keto palmitic acid +11.509143	10599.33	18180.00
4-keto palmitic acid +11.553833	1.00	14570.75
4-keto palmitic acid +11.757429	3022.00	11135.00
4-Ketoretinoic acid glucuronide	1.00	1.00
4^-Methoxychalcone	1.00	2917.75
4-Methoxytyramine	7957.67	1.00
4-Methoxytyramine +1.686	1.00	1.00
4-Methoxytyramine +2.844	5683.67	1.00
4-Methyl-3-oxoadipate	1.00	1.00
4-Methyl-3-oxoadipate -3.0295	1.00	1.00
4-Methyl-3-oxoadipate-enol-lactone	1.00	1.00
4-Methyl-5-nitrocatechol	1.00	1.00
4-Methyl-5-nitrocatechol +0.94100004	106194.33	84608.25
4-Methyl-5-thiazoleethanol	1.00	21394.75
4-Methylaminobutyrate	1.00	8699.75
4-Methylaminobutyrate +1.337	20599.67	1.00
4-Methylbenzyl alcohol	3095.67	4189.75
4-Methylburimamide	1.00	2599.25
4-Methylhistamine	1.00	1.00
4-Methylhistamine +3.425	1.00	1.00
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone	50809.00	63008.00
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	1.00	1.00
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol +1.622	5944.67	1.00
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol +3.225	5353.00	6237.25
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide	10000.33	1.00
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide -5...	1.00	1.00
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol	9677.00	1.00
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.003	38201.33	1.00
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.003...	12078.33	1.00
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +1.622	17749.00	1.00
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol +3.043	24577.00	1.00
4-methylthiazole-5-acetic-acid	1.00	1.00
4-Methylthiobutyl-desulfoglucosinolate	1.00	1.00
4-Methylumbelliferyl heptanoate	1.00	1.00
4-n-Hexylphenol	1.00	1.00
4-Nitrophenol-alpha-D-galactopyranoside	1.00	1.00
4-(N-Maleimido)phenyltrimethylammonium	126388.67	1.00
4-(N-Maleimido)phenyltrimethylammonium +4.849	1.00	1.00
4-O-alpha-Cadinylangolensin	12358.00	4572.00
4-O-alpha-Cadinylangolensin +6.713	15411.00	1.00
4-O-alpha-Cadinylangolensin +6.792	20001.67	1.00
4-octenal	1.00	1.00
4-octenal +12.917	1.00	1.00
4-octenal -6.196	1.00	1.00
4-octenal +8.355	1.00	1.00
4-octenal +8.872	1.00	6665.00
(4OH,8Z,t18:1) sphingosine	7768.33	5321.75
(4OH,8Z,t18:1) sphingosine +10.019846	12186.00	10587.50
(4OH,8Z,t18:1) sphingosine +5.8875	1.00	1.00
4^-O-Methylcarthamidin 7-(2-p-coumaroylglucoside)	1.00	1.00
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside)	6942.33	33451.25
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside) ...	1.00	1.00
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside) ...	1.00	1.00
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside) ...	1.00	1.00
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside) ...	34608.33	43502.25
4-Oxo-1-(3-pyridyl)-1-butanone	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone -3.669	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone +5.051	1.00	7491.00
4-Oxo-1-(3-pyridyl)-1-butanone +5.483	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone -5.493	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone +5.807	1.00	1.00
4-oxo capric acid	4276.67	1.00
4-Oxovalproic acid	1.00	1.00
4-Oxovalproic acid +1.0214	42656.67	23111.75
4-Oxovalproic acid +1.243	1.00	9725.75
4-Oxovalproic acid +1.7506001	1.00	1.00
4-Oxovalproic acid +4.372667	1.00	5314.00
4-Oxovalproic acid +4.5851665	3360.67	5232.00
4-Pentenoic acid, 3-oxo-	1.00	1.00
4-Pentenoic acid, 3-oxo- +1.254	1.00	5264.50
4-Pentenoic acid, 3-oxo- -1.611	1.00	1.00
4-Pentenoic acid, 3-oxo- -3.197	1.00	1.00
4-Pentenoic acid, 3-oxo- +3.213	1.00	1463.25
4-Phenethylphenol	1.00	1.00
4-Phenethylphenol +1.399	1.00	1.00
4-Phenethylphenol +3.257	1.00	1.00
4-Phospho-N-pantothenoylcysteine	1.00	1.00
4-Phospho-N-pantothenoylcysteine -6.1821	1.00	1.00
4-Phosphopantothenoylcysteine	1.00	1.00
4-PIOL	238626.00	157240.75
4-PIOL -0.87012494	1.00	1.00
4-PIOL +1.0442001	1.00	20755.75
4-PIOL +1.1	1.00	1.00
4-PIOL +3.5001998	17227.00	17234.50
4-PIOL +3.862	1.00	25563.00
4-Prenyldihydropinosylvin	1.00	1.00
4-Prenyldihydropinosylvin +3.099	1.00	1.00
4-Prenyldihydropinosylvin +6.177	1.00	3023.00
4-Prenylresveratrol	2141.00	1.00
4-Prenylresveratrol +11.011469	50049.33	66756.75
4-Prenylresveratrol +1.6265	4828.33	1.00
4-Pyridoxic acid	1.00	9869.00
4-Pyridoxic acid +3.0055	8626.33	43485.50
(4S)-4,5-Dihydroxypentan-2,3-dione	1.00	1.00
(4S)-4,5-Dihydroxypentan-2,3-dione -3.1940002	1.00	1.00
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate	1.00	1.00
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate -1.6573334	1.00	1.00
4S,5S-antillatoxin A	1.00	2153.50
4S,5S-antillatoxin A +6.075	1.00	1.00
4-Sulfobenzaldehyde	1.00	1.00
4-Sulfobenzaldehyde -4.4275	1.00	1.00
4-Sulfobenzoate	1.00	1.00
4-Sulfobenzoate -4.064	1.00	1.00
4-Sulfobenzoate -4.175	1.00	1.00
4-Sulfobenzyl alcohol	1.00	1.00
4-Sulfobenzyl alcohol -5.1148887	1.00	1.00
4-tert-Octylphenol	1.00	1.00
4-(Trimethylammonio)but-2-enoate	441324.00	504684.25
4-(Trimethylammonio)but-2-enoate +1.2657334	290279.33	235397.75
4-(Trimethylammonio)but-2-enoate +1.4025	1918802.67	134733.25
4-Vinylcyclohexene	1.00	1.00
4-Vinylcyclohexene +5.221	1.00	3442.00
4-Vinylcyclohexene +5.263	3290.00	1.00
4Z-tetradecenoic acid	15739.33	36294.25
4Z-tetradecenoic acid +10.210308	1.00	44474.50
4Z-tetradecenoic acid +10.4495	33667.33	1.00
5-(1-Hydroxy-2-chloroethyl)-4-methylthiazole	8113.00	7090.50
5,2^,4^-Trihydroxy-3,7,8,5^-tetramethoxyflavone	1.00	1.00
5,2^-Dihydroxy-6,7,8,6^-tetramethoxyflavanone	1.00	10344.75
5,2^-Dihydroxy-6,7,8,6^-tetramethoxyflavanone -5.752	1.00	1.00
5,2^-Dihydroxy-7,4^,5^-trimethoxyflavanone	1.00	1.00
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin	1.00	1.00
5,3^-Dihydroxy-2^-methoxy-6,7-methylenedioxyisoflavone	1.00	1.00
5-(4-Acetoxybut-1-ynyl)-2,2^-bithiophene	1.00	1.00
5,4^-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4^-glucuro...	1.00	1.00
5,4^-Dihydroxy-7^-methoxy-8-methylflavan	1.00	1.00
5,4^-Dihydroxy-7^-methoxy-8-methylflavan -7.382666	1.00	1.00
5-(4-Hydroxybut-1-ynyl)-2,2^-bithiophene	1.00	1.00
5,5-Bis(4-hydroxyphenyl)hydantoin	7258.33	2552.50
5,6,7,8-tetrahydro-2-Naphthoic Acid	1.00	1.00
5,6,7,8-Tetrahydro-2-naphthol	6065.67	4848.75
5,6-Dihydroxy-7,8,4^-trimethoxyflavone	1.00	1.00
5,6-Dihydroxy-7,8,4^-trimethoxyflavone -5.529	1.00	1.00
5(6)-EpETrE-EA	1.00	1.00
5,7,3^-Trihydroxy-4^,5^-dimethoxy-6,8-di-C-methylflavanone	1.00	1.00
5,7,3^-Trihydroxy-6,4^,5^-trimethoxyflavanone	1.00	1.00
5,7,3^-Trihydroxy-6,4^,5^-trimethoxyflavanone -4.33625	1.00	1.00
5,7,4^,5^-Tetrahydroxy-3,6,2^-trimethoxyflavone	1.00	1.00
5,7-Dihydroxy-8,2^-dimethoxyflavanone	1.00	1.00
5,7-Dihydroxyflavone 7-benzoate	18716.33	1.00
5,7-Dimethoxy-6-C-methylflavanone	1.00	1.00
5-Acetoxypalisadin B	1.00	1.00
5-Acetoxypalisadin B -5.026	1.00	1.00
5-Acetoxypalisadin B -5.033	1.00	1.00
5-Acetoxypalisadin B -5.603286	1.00	1.00
5-Acetylamino-6-formylamino-3-methyluracil	1.00	1.00
5-Acetylamino-6-formylamino-3-methyluracil -2.26	1.00	1.00
5a-Dihydrotestosterone sulfate	17193.00	1.00
5a-Dihydrotestosterone sulfate +3.6609998	14522.67	6093.25
5a-Dihydrotestosterone sulfate -5.2769995	1.00	1.00
5a-Dihydrotestosterone sulfate -6.5284996	1.00	1.00
5a-Dihydrotestosterone sulfate -6.7102222	1.00	1.00
5a-Dihydrotestosterone sulfate -6.726	1.00	1.00
5a-Dihydrotestosterone sulfate -6.7413335	1.00	1.00
5a-Dihydrotestosterone sulfate -7.6974287	1.00	1.00
5a-Dihydrotestosterone sulfate -7.764	1.00	1.00
5-Amino-1-ribofuranosylimidazole-4-carboxyamide	5475.33	9436.50
5-Amino-1-ribofuranosylimidazole-4-carboxyamide +11.92223	26729.00	33989.00
5-Aminoacenaphthene	1.00	1.00
5-aminosalicyluric acid	1.00	1.00
5-aminosalicyluric acid +1.3906666	1.00	5774.75
5-aminosalicyluric acid +1.6206666	1.00	1.00
5-aminosalicyluric acid -2.197	1.00	1.00
5-Azacytidine	1.00	1.00
5-azauridine	1.00	1.00
5beta-Chola-3,8(14),11-trien-24-oic Acid	1.00	17754.25
5beta-Chola-3,8(14),11-trien-24-oic Acid +6.724	1.00	1.00
5beta-Chola-3,8(14),11-trien-24-oic Acid +9.0792	39094.00	4633.25
5beta-Chola-3,8(14),11-trien-24-oic Acid +9.895	1.00	1.00
5b-Pregnanediol	1.00	1.00
5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 2...	1.00	1.00
5-Chloro-3-methylcatechol	1.00	1.00
5?-Cholestane-3?,6?,7?,25,26-pentol	1.00	1.00
5-Cholestene-3?,7?,12?,25,26-pentol	5440.00	1.00
5-Cholestene-3?,7?,12?,25,26-pentol -10.6710005	1.00	1.00
5-Cholestene-3?,7?,12?,25,26-pentol -10.750833	1.00	1.00
5-Cholestene-3?,7?,12?,25,26-pentol +10.784	1.00	1.00
5-Cholestene-3?,7?,12?,25,26-pentol -9.25	1.00	1.00
5-Cholestene-3?,7?,12?,25,26-pentol +9.275	1.00	1.00
5?-Cyprinolsulfate	1.00	1.00
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-o...	1.00	1.00
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-o...	1.00	4779.50
5^-Deoxy-5^-fluoroadenosine	21038.00	14900.75
5^-Deoxy-5^-fluoroadenosine +1.396	7592.00	9695.50
5^-Deoxy-5^-fluoroadenosine +1.619	4802.67	1.00
5^-Deoxy-5^-fluoroadenosine +3.047	1.00	1.00
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric acid	1.00	1.00
5-exo-Hydroxy-1,2-campholide	1.00	3759.00
5-Fluoromuconolactone	1.00	1.00
5-Hepten-3-ynoic acid, 2,2-dimethyl-7-[(1-naphthalenylmethyl...	1.00	1.00
5-Hepten-3-ynoic acid, 2,2-dimethyl-7-[(1-naphthalenylmethyl...	1.00	1.00
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid	300389.00	34722.75
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +1....	1.00	1.00
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +1....	1.00	1.00
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +3....	1.00	4986.75
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +3....	23755.00	1.00
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +3....	3185.00	1.00
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid +4....	1.00	1.00
(±)5-HETE	14297.67	2854.50
(±)5-HETE +13.443001	1949.00	2043.50
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-h...	1.00	1.00
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-h...	1.00	1.00
5-Hydroxy-2-acetamidofluorene	1.00	2412.75
5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxyl...	14301.00	1.00
5-Hydroxy-3,4-dihydrocarbostyryl	17782.00	41963.00
5-Hydroxy-3,7,8-trimethoxy-3^,4^-methylenedioxyflavone	1.00	1.00
5-Hydroxy-3,8-dimethoxy-3^,4^-methylenedioxy-7-prenyloxyflav...	1.00	1.00
5-Hydroxy-6-desmethylprimaquine	1.00	10479.50
5-Hydroxy-6-desmethylprimaquine +1.718	3765.33	1.00
5-Hydroxy-7,4^-dimethoxy-6,8-di-C-prenylflavanone 5-O-galact...	1.00	1.00
5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside	1.00	1.00
5-Hydroxycisapride	1.00	1.00
5-Hydroxyconiferaldehyde	1.00	1.00
5-Hydroxydopamine	11297.67	40112.25
5-Hydroxydopamine +1.1663333	1.00	26600.75
5-Hydroxydopamine +1.403	1.00	1.00
5-Hydroxydopamine +1.62	1.00	1.00
5-Hydroxydopamine +3.259	1.00	9002.25
5-Hydroxydopamine +3.516	1.00	1.00
5-Hydroxyectoine	720474.33	975610.00
5-Hydroxyectoine +0.93899995	116457.67	7358.50
5-Hydroxyectoine +1.735	1.00	2280.75
5-Hydroxyectoine +3.1174998	8876.67	1.00
5-Hydroxyferulate	1.00	1.00
5-Hydroxyferulate -3.281	1.00	1.00
5-Hydroxykynurenine	3284.33	1.00
5-Hydroxymethyl-2-furaldehyde	7894.67	1.00
5-Hydroxymethyl-2-furaldehyde +0.9756667	3527.33	4061.25
5-Hydroxymethyl-2-furaldehyde +11.819752	63872.00	65278.00
5-Hydroxymethyl-2-furaldehyde +2.041	1.00	1.00
5-Hydroxymethyl-2-furaldehyde +3.133	1.00	1.00
5-Hydroxymethyl-2-furaldehyde +3.362	1.00	1.00
5-Hydroxymethylcimetidine	1.00	5115.25
5-Hydroxymethylcimetidine +1.621	1.00	1690.00
5-Hydroxymethylcimetidine +1.624	12028.33	1.00
5-Hydroxypropafenone	1.00	1.00
5-Ketoeicosatetraenoic acid	1.00	1.00
5-keto palmitic acid	1.00	1.00
5-L-Glutamyl-L-alanine	3136.00	1.00
5-Methoxy-3-hydroxyanthranilate	1.00	1.00
5-Methoxytryptophan	74926.33	26617.50
5-Methoxytryptophan +3.55	1.00	1.00
5-Methoxytryptophan +3.924	1.00	9737.00
5-Methoxytryptophan +5.630333	44274.33	35694.25
5-Methyl-2-furaldehyde	7834.00	3167.25
5-Methyl-2-furaldehyde +11.018499	1.00	1.00
5-Methyl-2-furaldehyde -1.388	1.00	1.00
5-Methyl-2-furaldehyde +1.401	1.00	1.00
5-Methyl-2-furaldehyde +1.641	2008.67	1.00
5-Methyl-2-furaldehyde +3.135	1.00	1.00
5-Methyl-2-furaldehyde +3.182	1.00	4186.25
5-Methyl-2-furaldehyde +3.8934999	8404.33	1.00
5-Methyl-2-furaldehyde -3.93	1.00	1.00
5-methyl-7-methoxyisoflavone	3835.67	9564.50
5-methyl-7-methoxyisoflavone +3.734	1.00	22074.00
5-Methylcytidine	16696.67	3745.75
5-Methylcytidine +1.05	8126.67	1.00
5-Methylcytidine +1.403	1.00	1.00
5-Methyldeoxycytidine	4198.67	18114.25
5-Methyldeoxycytidine +1.1626667	5412.00	3625.50
5-methyl-octadecanoic acid	25097.33	24623.50
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]	6916.33	1.00
5-Nitro-ortho-anisidine	1.00	1.00
5^-O-beta-D-Glucosylpyridoxine	6780.00	11823.00
5^-O-beta-D-Glucosylpyridoxine +1.337	1.00	4641.75
5^-O-beta-D-Glucosylpyridoxine +1.39	7370.33	1.00
5^-O-beta-D-Glucosylpyridoxine +1.62275	10571.67	3254.00
5-O-Feruloylquinic acid	1.00	1827.75
5-O-Feruloylquinic acid -0.9395	1.00	1.00
5-O-Feruloylquinic acid +0.956	1.00	1.00
(-)-5-oxo-1,2-campholide	1.00	7734.00
5-Oxoavermectin ^^1b^^ aglycone	1.00	1.00
5-Oxoavermectin ^^1b^^ aglycone -6.9244294	1.00	1.00
5-Oxoavermectin ^^1b^^ aglycone -9.084332	1.00	1.00
5-Oxoavermectin ^^1b^^ aglycone -9.199858	1.00	1.00
5-Oxoavermectin ^^1b^^ aglycone -9.2412	1.00	1.00
(5-Phenyl-1,2,4-triazol-3-yl)urea	363104.00	309879.75
(5-Phenyl-1,2,4-triazol-3-yl)urea +0.97900003	1.00	20103.00
(5-Phenyl-1,2,4-triazol-3-yl)urea +1.0496668	18059.00	34922.50
(5-Phenyl-1,2,4-triazol-3-yl)urea +1.5748333	4399.00	4816.00
(5-Phenyl-1,2,4-triazol-3-yl)urea +3.0975	14704.67	7120.25
(5-Phenyl-1,2,4-triazol-3-yl)urea -5.596667	1.00	1.00
5-Phenyl-1,3-oxazinane-2,4-dione	67304.67	116727.75
5-Phenyl-1,3-oxazinane-2,4-dione +3.189	1.00	1.00
5-Phenyl-1,3-oxazinane-2,4-dione -3.5428333	1.00	1.00
5-Phenyl-1,3-oxazinane-2,4-dione -3.8730001	1.00	1.00
5-Phenylvaleric acid	1.00	1.00
5^^-Phosphoribostamycin	1.00	1.00
5^^-Phosphoribostamycin -6.901	1.00	1.00
5^^-Phosphoribostamycin -7.287	1.00	1.00
5-Phosphoribosyl-5-aminoimidazole	1.00	2814.75
5-Phosphoribosyl-5-aminoimidazole +3.404	28589.00	1.00
5-Phosphoribosyl-5-aminoimidazole +3.484	4219.33	1.00
5-Prenyl-6^^,6^^-Dimethyl-5^^-hydroxy-4^^,5^^-dihydropyrano[...	1.00	1.00
5S-HETE di-endoperoxide	12173.67	12134.25
5S-HETE di-endoperoxide -5.337	1.00	1.00
5^-S-Methyl-5^-thioinosine	2944.67	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1.00	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1.00	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1.00	7653.75
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1.00	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1.00	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	20861.00	16088.50
5-trans U-44069	1.00	2420.75
5-trans U-44069 +12.750333	3827.67	1.00
5-trans U-44069 +12.827286	12131.00	11656.50
5Z,7E-Dodecadienal	1.00	1.00
6,7-Dimethyl-8-(1-D-ribityl)lumazine	6648.00	16589.25
6,7-Dimethyl-8-(1-D-ribityl)lumazine +1.186	1.00	1.00
6,7-Dimethyl-8-(1-D-ribityl)lumazine +1.3983334	1.00	10702.00
6,7-Dimethyl-8-(1-D-ribityl)lumazine +1.618	1.00	1.00
6,7-Dimethyl-8-(1-D-ribityl)lumazine +6.328	1.00	1.00
6,7-Dimethyltetrahydropterin	1.00	223323.50
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^1b^^ aglycone	1.00	1.00
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^1b^^ aglycone -7.646	1.00	1.00
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^1b^^ aglycone -7.958	1.00	1.00
6,8-dihydroxy-octanoic acid	1.00	1.00
6,8-Dihydroxypurine	1.00	21093.00
6,8-Dihydroxypurine -1.4388332	1.00	1.00
6,8-Dihydroxypurine -1.6098667	1.00	1.00
6,8-Dihydroxypurine +1.617	1.00	8882.50
6,9,12,15,18-Tetracosapentaynoic acid	16027.67	15154.50
6,9,12,15,18-Tetracosapentaynoic acid +6.109	1.00	1.00
6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, ...	1.00	1.00
6-Acetamido-3-oxohexanoate	8519.67	15883.75
6-Acetamido-3-oxohexanoate +1.0001668	2378.67	13380.50
6-Acetamido-3-oxohexanoate +2.343	1.00	1.00
6-Acetamido-3-oxohexanoate +2.993	4381.67	1.00
6-Acetamido-3-oxohexanoate +3.263	1.00	3763.50
(+/-)-6-Acetonyldihydrochelerythrine	1.00	6100.50
6-Acetyl-D-glucose	1.00	3084.00
6-Acetyl-D-glucose -1.076	1.00	1.00
6-Acetyl-D-glucose -1.129	1.00	1.00
6-Acetyl-D-glucose -1.377	1.00	1.00
6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione	1.00	1.00
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	33657.00	12913.00
6-(alpha-D-Glucosaminyl)-1D-myo-inositol +1.349	1.00	23092.25
6-(alpha-D-Glucosaminyl)-1D-myo-inositol -1.3840001	1.00	1.00
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate	1.00	1.00
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate -7.317	1.00	1.00
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate -7.623	1.00	1.00
6alpha-Fluoropregn-4-ene-3,11,20-trione	1.00	1.00
6-Benzylaminopurine	1.00	1.00
6-Benzylaminopurine +1.798	12461.33	9957.00
6-Benzylaminopurine +1.948	1.00	1.00
6-Benzylaminopurine +3.007	1.00	1.00
6-Benzylaminopurine +3.015	1.00	1.00
6-Benzylaminopurine +3.0613334	1.00	24116.00
6-Benzylaminopurine +3.7703335	1.00	1.00
6-Benzylaminopurine +3.773	1.00	1.00
6-Benzylaminopurine +3.8313332	1.00	1.00
6-Benzylaminopurine +4.10725	1.00	1.00
6-Benzylaminopurine +5.2613335	1.00	8425.50
6-Benzylaminopurine +5.314	1.00	2581.50
6-Benzylaminopurine +5.808	1.00	1.00
6-Bromo-2-naphthol	1.00	1.00
6-bromo-5,9-hexacosadienoic acid	4847.00	1.00
6-C-Glucopyranosyl-8-C-arabinopyranosyltricin	24830.33	1.00
6^^^-Deamino-6^^^-hydroxyneomycin C	1.00	1.00
6^-Dehydro-6^-oxoparomamine	1.00	1.00
6-dehydrotestosterone 17-glucosiduronic acid	1.00	1.00
6-Desmethylprazosin	1.00	1.00
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid	1.00	1.00
6E,8E,14E-Hexadecatriene-10,12-diynoic acid	9136.67	1.00
6E-Dodecen-1-ol	1.00	1.00
6-ethyl-dodecanoic acid	1.00	1.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	7409.00	4355.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol +1.3034999	1.00	1.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol +13.735	1.00	2868.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol -5.134	1.00	1.00
6?-Hydroxy-3-oxochol-4-en-24-oic Acid	1.00	3862.75
6-Hydroxy-5-methyl-3^,4^,5^-trimethoxyaurone-4-O-alpha-L-rha...	1.00	1.00
6-hydroxy caproic acid	1.00	27496.75
6-hydroxy caproic acid +3.701	1.00	2557.00
6-hydroxy caproic acid +4.0365715	1.00	19566.75
6-Hydroxydexamethasone	8772.33	1.00
6-Hydroxyindolelactate	1.00	1.00
6-Hydroxyindolelactate -3.466	1.00	1.00
6^?-Hydroxylovastatin	16312.00	28200.75
6^?-Hydroxylovastatin +7.79	1.00	1.00
6-Hydroxyluteolin 6-glucoside-3^-rhamnoside	19942.00	18465.50
6-Hydroxyluteolin 6-glucoside-3^-rhamnoside +10.426001	1.00	3573.25
6-Hydroxymelatonin	3146.00	8045.00
6-Hydroxymelatonin +3.1295	1.00	6603.25
6-Hydroxymelatonin +3.473	1.00	1.00
6^-Hydroxymethylsimvastatin	1.00	1.00
6-Hydroxyondansetron	1.00	1.00
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	37172.33	11145.50
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate -3.405	1.00	1.00
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate +4.202357	5499.33	12837.25
6-(Isopropylthio)purine	1.00	5457.75
6-Methylmercaptopurine	247402.67	1.00
6-Methylmercaptopurine -1.0715001	1.00	1.00
6-Methylmercaptopurine -4.1535	1.00	1.00
6?-Methylprednisolone Acetate	1.00	1.00
6?-Methylprednisolone Acetate -6.614	1.00	1.00
6?-Methylprednisolone Acetate -7.345	1.00	1.00
6?-Methylprednisolone Acetate -7.384143	1.00	1.00
6-Methylthiopurine ribonucleotide	1.00	1.00
6?-Naltrexol	1.00	4377.25
6?-Naltrexol-3-glucuronide	1.00	1.00
6?-Naltrexol +4.773	1.00	13018.50
6-Nitrochrysene	1.00	7370.25
6-nonenal	1.00	4032.00
6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose	1.00	1.00
6-O-Methylguanine	131199.33	56670.75
6-O-Methylguanine +1.077	1.00	2899.00
6-O-Methylguanine +1.8257501	307568.67	192331.75
6-Oxocineole	9063.67	7016.50
6-(Pentylthio)purine	1.00	1.00
6-(Pentylthio)purine +1.629	1.00	1.00
6-(Pentylthio)purine +3.54	1.00	1.00
6-piperazin-1-yl-Isoquinoline	3634.67	3848.00
(6S,9R)-Vomifoliol	1.00	1289.25
(6S)-dehydrovomifoliol	10191.00	2166.25
(6S)-dehydrovomifoliol +0.9715	2995.67	1.00
(6S)-dehydrovomifoliol +13.435	2015.00	1.00
(6S)-dehydrovomifoliol -8.570214	1.00	1.00
(6S)-dehydrovomifoliol +8.883187	66339.67	64735.00
6-Thiouric acid	1.00	1.00
6Z,11Z-octadecadienoic acid	1.00	1.00
6Z,11Z-octadecadienoic acid +12.1915	7166.33	1.00
6Z-hexadecenoic acid	4381.00	1.00
6Z-hexadecenoic acid +9.741	1.00	1.00
6Z-Nonen-1-ol	1.00	1.00
7?,12?-Dihydroxy-5?-cholan-24-oic Acid	1.00	1.00
7,12-Dimethylbenz[a]anthracene	1.00	5838.75
7,12-Dimethylbenz[a]anthracene 5,6-oxide	6053.33	1.00
7-[2-Trifluoromethyl-4-(2-hydroxyphenyl)-1,3-dioxan-cis-5-yl...	1.00	1.00
7-(3-Methylbut-2-enyl)-L-tryptophan	1.00	1.00
7-(3-Methylbut-2-enyl)-L-tryptophan +3.155	1.00	1.00
7-(3-Methylbut-2-enyl)-L-tryptophan +4.178	1.00	2232.00
7,8,7^,8^-Tetradehydroastaxanthin	1.00	1.00
7,8-Dihydro-14-hydroxynormorphine	1.00	1.00
7,8-Dihydro-14-hydroxynormorphine +6.026	1.00	4799.25
7,8-Dihydro-14-hydroxynormorphine +6.394	1.00	1.00
7,8-Dihydropyrene-7-carboxylate	1.00	1.00
7,9,13,17-tetramethyl-7S,14S-dihydroxy-2E,4E,8E,10E,12E,16-o...	1.00	1.00
7alpha-Hydroxytestololactone	4210.67	1.00
7-Aminonitrazepam	19707.67	13488.25
7-Aminonitrazepam +0.965	1.00	2160.75
(+)-7beta-Hydroxy-15-beyeren-19-oic acid	1.00	1.00
(+)-7beta-Hydroxy-15-beyeren-19-oic acid +11.864	1.00	3408.00
(+)-7beta-Hydroxy-15-beyeren-19-oic acid +9.01525	10450.00	5274.50
7-Chloroethyltheophylline	1.00	1.00
7-Cyano-7-deazaguanine	1.00	12928.75
7-Deoxyloganate	1.00	1.00
7-Deoxyloganate +1.209	1.00	1.00
7-Epiloganin tetraacetate	1.00	1.00
7H-Dibenzo[c,g]carbazole	2807.33	1.00
7H-Dibenzo[c,g]carbazole +3.166	1.00	18761.75
7H-Dibenzo[c,g]carbazole +4.721	1.00	7082.50
7?-Hydroxy-3-oxochola-1,4-dien-24-oic Acid	1.00	1.00
7?-Hydroxy-3-oxochola-1,4-dien-24-oic Acid -9.144	1.00	1.00
7?-Hydroxy-5?-cholan-24-oic Acid	1.00	1.00
7-Hydroxyrisperidone	1.00	1.00
7-keto-n-caprylic acid	1.00	1.00
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyra...	1.00	1.00
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyra...	1.00	1378.75
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyra...	8484.67	1.00
7-Methylinosine	1.00	1.00
7-Methyl lauric acid	3600.67	4092.25
7-Methylthioheptyl glucosinolate	12753.00	1.00
7-Methylxanthine	56775.00	28948.25
7-Methylxanthine -3.3013334	1.00	1.00
7-Methylxanthine -5.6036663	1.00	1.00
7-Methylxanthosine	1.00	1.00
7-nonynoic acid	13535.00	16091.75
7-nonynoic acid +5.223	1.00	15290.50
7-octenoic acid	14709.67	17928.25
7-Octenoic acid, 5-oxo-	17299.33	1.00
7-Octenoic acid, 5-oxo- +1.317	5918.67	1.00
7-Octenoic acid, 5-oxo- +5.233	3381.67	1.00
7-O-Demethylterazosin	8272.00	1.00
7-Oxoheptanoic acid	74638.67	92691.25
7-Oxoheptanoic acid +0.955	24019.67	23639.25
7-Oxoheptanoic acid +1.3752857	3700.00	12468.25
7-Oxoheptanoic acid +1.394	5654.33	1.00
7-Oxoheptanoic acid -3.263	1.00	1.00
7-Oxoheptanoic acid +3.524	1.00	1.00
7-Oxoheptanoic acid +3.847	1.00	1.00
7-Sulfocholic acid	1.00	1.00
7-Sulfocholic acid -7.0975	1.00	1.00
7-Sulfocholic acid -7.2156663	1.00	1.00
7-Sulfocholic acid -7.4566	1.00	1.00
7-Sulfocholic acid -7.5332003	1.00	1.00
7-Tridecenoic acid; C13:1n-6	1.00	1.00
7-Tridecenoic acid; C13:1n-6 +10.239	1.00	1.00
8,11,14-nonadecatriynoic acid	1.00	1.00
8,15-dihydroperoxy-5,9,11,13-eicosatetraenoic acid	1.00	5325.25
(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delt...	1.00	7951.75
8,2^-Dimethoxyflavone	1.00	6667.00
8?-3?-hydroxy-estra-1,3,5(10)-trien-17-one	1.00	1.00
8-(5-hexyl-furan-2-yl)-octanoic acid	2270.67	4933.75
8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol	1.00	1.00
8,9-dihydroxy-5,11,14-eicosatrienoic acid	1.00	2495.75
8,9-dihydroxy-5,11,14-eicosatrienoic acid +7.093	1.00	1.00
8-Azaadenosine	1.00	22677.00
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone m...	7984.67	1.00
8-Bromoadenosine	1.00	1.00
8-C-p-Hydroxybenzylkaempferol	1.00	1.00
8-Dimethylallyllisetin	1.00	1.00
8E,10E-Pentadecadienyl acetate	18308.00	23955.25
8E-Heptadecenedioic acid	5063.33	1.00
8E-Heptadecenedioic acid +11.581	1.00	1.00
8-Epideoxyloganin	6254.00	1.00
8-Epiiridodial glucoside tetraacetate	1.00	1.00
8-Epiiridotrial glucoside	1.00	2922.75
8-Epiiridotrial glucoside +1.632	8562.00	1.00
(±)8-gingerol	1.00	1.00
(8)-Gingerol	1.00	1.00
(8)-Gingerol +10.237	1.00	3456.50
(8)-Gingerol -6.614	1.00	1.00
8-Hydroxy-7-methylguanine	1.00	1.00
8-Hydroxy-7-methylguanine +3.0308573	34843.67	12196.00
8-Hydroxyadenine	65629.00	18944.75
8-Hydroxyadenine +1.384	9134.00	1.00
8-Hydroxyadenine +2.998	1.00	1.00
8-hydroxy caprylic acid	1.00	2588.50
8-hydroxy caprylic acid +3.854	1.00	2611.75
8-hydroxy caprylic acid +4.2195	1.00	1.00
8?-Hydroxycarapin, 3,8-Hemiacetal	1.00	1.00
8-Hydroxyclomipramine	1.00	1.00
8-Hydroxyclomipramine +1.4000001	1.00	1.00
8^-Hydroxydihydroergotamine	1.00	67667.25
8-Methoxykynurenate	1.00	1.00
8-methylcaffeine	3308.33	2177.25
8-methylcaffeine +1.137	6233.00	1.00
8-methylcaffeine +1.147	1.00	1.00
8-methylcaffeine +2.298	4133.33	1.00
8-methylcaffeine +3.18	1.00	2337.50
8-methylcaffeine +3.6057777	4304.00	11239.00
8-Oxocoformycin	3547.00	1.00
8-Oxocoformycin +1.174	4648.00	1.00
8-Oxocoformycin -1.221	1.00	1.00
8-Oxodeoxycoformycin	1.00	1.00
8S,15S-DiHETE	1.00	6691.25
8S,15S-DiHETE +3.496	1.00	1.00
8-tridecynoic acid	1.00	1.00
8Z-heptadecenoic acid	2981.00	10360.00
8Z-heptadecenoic acid +1.0853332	1.00	32385.00
8Z-heptadecenoic acid +12.31	1.00	1.00
8Z-heptadecenoic acid -13.0085	1.00	1.00
8Z-undecenoic acid	1.00	2376.25
9,10-Dihydrokadsurenone	1.00	1.00
9,10-Dihydroxy-12,13-epoxyoctadecanoate	1.00	1.00
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid	1.00	1.00
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid +10.416	1.00	1.00
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid +13.754	1.00	2310.50
9,10-epoxy-13-hydroxy-11-octadecenoic acid	1.00	1.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid -10.574	1.00	1.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid +10.86	1.00	1.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid +10.8766	1.00	22602.25
9,10-epoxy-13-hydroxy-11-octadecenoic acid +5.844	1.00	3010.50
9,10-epoxy-13-oxo-11-octadecenoic acid	1.00	8561.25
9,10-Epoxy-18-hydroxystearate	1.00	1.00
9,10-Epoxy-18-hydroxystearate -10.275	1.00	1.00
9,12-dioxo-dodecanoic acid	7422.00	41884.50
9,12-dioxo-dodecanoic acid -4.94	1.00	1.00
9,12-dioxo-dodecanoic acid +4.95	17392.33	1.00
9,12-dioxo-dodecanoic acid +5.2725005	1.00	18258.50
9,12-dioxo-dodecanoic acid -5.3245	1.00	1.00
9,12-dioxo-dodecanoic acid -5.4215994	1.00	1.00
9,12-dioxo-dodecanoic acid +6.4750004	7662.33	3223.75
9,12-dioxo-dodecanoic acid +7.5603	19955.67	27806.50
9,12-dioxo-dodecanoic acid -7.775	1.00	1.00
9,12-dioxo-dodecanoic acid -9.11975	1.00	1.00
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid	1.00	1.00
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid +10.48	15935.33	1.00
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid +10.563	24183.00	1.00
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid -7.835	1.00	1.00
9,14-dihydroxy-octadecanoic acid	1.00	1.00
9,14-dihydroxy-octadecanoic acid -10.889223	1.00	1.00
9a-Fluorotetrahydrocortisol	1.00	1.00
9a-Fluorotetrahydrocortisol +3.442	1955.33	1.00
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-...	1.00	1.00
9-Aminoacridine	1.00	1.00
9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-...	1.00	6883.25
9-Fluoroprednisolone	15421.67	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	1.00	3458.50
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +10.415	6732.00	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +10.609	1.00	6015.50
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +13.44214...	15280.33	8886.25
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +13.73366...	4290.33	11705.25
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +13.737	7993.67	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +14.10720...	5800.67	11241.75
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -6.042	1.00	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -6.253	1.00	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +6.811	1.00	3349.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -7.47	1.00	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +7.4835	1.00	40107.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -7.621625	1.00	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +7.640777...	6037.67	97634.25
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +9.735001	11999.33	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid +9.7985	1.00	1.00
9-hydroxy-16-oxo-hexadecanoic acid	1.00	1.00
9-hydroxy-16-oxo-hexadecanoic acid -10.594777	1.00	1.00
9-hydroxy-16-oxo-hexadecanoic acid +10.604	1.00	5124.00
9-hydroxy-16-oxo-hexadecanoic acid +10.609	1.00	1.00
9-hydroxy-16-oxo-hexadecanoic acid +12.447687	51479.33	45661.00
9-hydroxy-16-oxo-hexadecanoic acid +8.521	1.00	6229.25
9-Hydroxybenzo[a]pyrene-4,5-oxide	1.00	1.00
9-hydroxy-decanoic acid	1.00	1.00
9-hydroxy-hexadecan-1,16-dioic acid	1.00	1.00
9-hydroxy-hexadecan-1,16-dioic acid -7.9709997	1.00	1.00
9-hydroxy-hexadecan-1,16-dioic acid +8.031	1.00	22846.25
9-Hydroxyrisperidone	1.00	1.00
9-Hydroxyrisperidone -6.996571	1.00	1.00
9-Hydroxyrisperidone -7.1316667	1.00	1.00
9-Hydroxyrisperidone -7.472	1.00	1.00
9-Hydroxyrisperidone -7.711	1.00	1.00
9-Hydroxyrisperidone -7.875	1.00	1.00
9-O-Demethyl-2alpha-hydroxyhomolycorine	1.00	1.00
9R,10S,18-trihydroxy-stearic acid	1.00	1.00
9R,10S,18-trihydroxy-stearic acid +10.415	1.00	1.00
9R,10S,18-trihydroxy-stearic acid +10.6075	1.00	8728.25
9R,10S,18-trihydroxy-stearic acid +7.654	1.00	5525.75
9R,10S,18-trihydroxy-stearic acid -7.81	1.00	1.00
9R,10S,18-trihydroxy-stearic acid +7.822	1.00	14196.50
9R,10S,18-trihydroxy-stearic acid +8.394	1.00	1.00
(9R,13R)-1a,1b-dihomo-jasmonic acid	1.00	1.00
(9R,13R)-1a,1b-dihomo-jasmonic acid -9.66	1.00	1.00
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid	1.00	1.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid	12558.33	12327.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +10.412	1.00	1.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +10.603	7574.33	1.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +7.539	1.00	63096.25
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +8.117	1.00	1.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +8.294	1.00	4924.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +9.679	1.00	1.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid +9.7365	1.00	1.00
9S,12S,13S-trihydroxy-10E-octadecenoic acid	1.00	1.00
9S,12S,13S-trihydroxy-10E-octadecenoic acid -7.527	1.00	1.00
9S,12S,13S-trihydroxy-10E-octadecenoic acid -8.062	1.00	1.00
(9S,13S)-10-oxo-11-phytoenoic acid	1.00	8290.25
(9S,13S)-10-oxo-11-phytoenoic acid +13.735	1.00	1.00
(9S,13S)-10-oxo-11-phytoenoic acid +8.044	1.00	1.00
9-tridecynoic acid	1.00	1.00
9-tridecynoic acid +10.117	1.00	3701.75
9-tridecynoic acid +8.777	19980.67	1.00
9-tridecynoic acid +8.795	1.00	11117.50
9Z,11-Dodecadien-1-ol	7535.33	17794.75
9Z,11-Dodecadien-1-ol +10.6035	1.00	1.00
9Z,12E,15Z-octadecatrienoic acid	27506.00	14646.75
A 80987	8361.00	1694.25
A 80987 +12.977	1.00	1.00
A 80987 +13.44675	3433.33	1.00
A 80987 +13.735001	1.00	9851.25
Abacavir	1.00	1.00
Abacavir +1.107	1.00	1.00
Abacavir +1.3986667	2556.33	1.00
Absinthin	1.00	1.00
ABT-869	1.00	2334.75
Abu-His-OH	1.00	1.00
Abu-His-OH -1.388	1.00	1.00
Abyssinoflavanone IV	1.00	1.00
Abyssinoflavanone IV -6.698	1.00	1.00
Abyssinoflavanone VI	1.00	1.00
(Ac)2-L-Lys-D-Ala	1.00	1.00
Acalyphin	1.00	1.00
Acalyphin -1.61	1.00	1.00
Acamprosate	1.00	1.00
Acarbose (M8)	7120.33	13176.75
Acarbose (M8) +1.3975	1.00	4778.75
Acarbose (M8) +3.093	1.00	1.00
Acarbose (M8) +4.509	3197.67	1.00
Acebutolol	1.00	1.00
Acebutolol +4.1730003	1.00	1.00
Acebutolol +5.1855	1.00	1.00
Acesulfame-K	1.00	1.00
Acesulfame-K +0.839	10725.33	1.00
Acetic acid	1.00	1.00
Acetone cyanohydrin	1.00	1.00
Acetone cyanohydrin -1.3870001	1.00	1.00
Acetophenazine	681182.33	479355.00
Acetosyringone	1.00	1.00
Acetylagmatine	6801.33	1.00
Acetylagmatine +1.765	5536.33	1.00
Acetylblasticidin S	1.00	1.00
Acetylcholine	18746179.67	10959177.25
Acetylcholine +1.187	1.00	1.00
Acetyl-DL-Valine	1.00	1.00
Acetylenedicarboxylate	1.00	1.00
Acetylenedicarboxylate -0.91028565	1.00	1.00
Acetylenic acids	402543.00	75510.00
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydrox...	26662.00	15100.75
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydrox...	1.00	1.00
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydrox...	1.00	1.00
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic ...	1.00	1.00
Acetylenic acids; 10-Heptadecen-8-ynoic acid, (E)-; Pyrulic ...	13855.33	5725.75
Acetylenic acids +1.678	1.00	1.00
Acetylenic acids +3.583	1.00	1.00
Acetyleugenol	1.00	5243.50
Acetylhydrazinopthalazinone	1.00	1.00
Acetylisoniazid	1.00	2265.50
Acetylisoniazid +1.396	3695.00	1.00
Acetyllycopsamine	6948.00	3960.50
Acetyl Podocarpic Acid Anhydride	1.00	1.00
Acetylpseudotropine	1.00	1.00
Acetylpyruvate	1.00	1.00
Acetylpyruvate -1.3829999	1.00	1.00
Acetylshikonin	1.00	9361.00
Acetylshikonin -5.121	1.00	1.00
Acetylshikonin +5.8265	1.00	1.00
Acetylshikonin +5.944	1.00	1.00
Acetyltryptophanamide	4776.33	1.00
Acinoside	13661.33	7481.25
Acitretin	1.00	1.00
Acitretin +4.535	1.00	1.00
Acitretin +5.05025	1.00	1.00
Acitretin Ro 23-4750	1.00	1.00
Aclacinomycin S	1.00	1.00
Aclarubicin	1.00	1.00
Acremoauxin A	1.00	1.00
Acremoauxin A +4.6759996	1.00	1.00
Acrophylline	1.00	3563.50
Actinidine	69997.33	1.00
Actinidine +1.397	12116.33	1.00
Ac-Tyr-OEt	73660.67	74568.50
Ac-Tyr-OEt +1.6259999	1.00	1.00
Ac-Tyr-OEt +3.264	1.00	1.00
Ac-Tyr-OEt +3.4921668	1.00	42765.25
Ac-Tyr-OEt +3.5585	1.00	619079.75
Ac-Tyr-OEt +3.766	1.00	5387.75
Ac-Tyr-OEt +4.19	1.00	1.00
Ac-Tyr-OEt +4.508	1.00	61728.75
Ac-Tyr-OEt +4.726	6065.67	3360.00
Adenine	9613.67	4460.50
Aerobactin	1.00	1.00
Aerobactin -6.809	1.00	1.00
AF-2	1.00	1.00
AF-2 -1.609	1.00	1.00
Aflatoxin B1exo-8,9-epoxide-GSH	23029.33	1.00
Aflatoxin B1exo-8,9-epoxide-GSH +13.646	1851.33	1.00
AFMK	1.00	1.00
Afrormosin 7-O-(6^^-malonylglucoside)	1.00	1.00
AG-1296	1.00	3258.00
AG-1296 +3.194	1.00	1.00
AG-1296 +6.511	1.00	7597.25
AG-183	1.00	1.00
AG-370	1.00	4538.75
AG-370 +1.0009999	4600.67	1.00
AG-370 +3.371	1.00	1.00
AG-99	1.00	11547.25
Agaritine	5759.33	1.00
Agaritine +1.6316667	2839.00	1.00
AGC	9563.67	1.00
Agecorynin D	1.00	1.00
Agomelatine	11337.00	1.00
Agomelatine +4.6025	1.00	1.00
Ajmaline	1.00	1.00
ajugalactone	1.00	1.00
ajugalactone -7.16	1.00	1.00
ajugalactone -7.6295	1.00	1.00
ajugalactone -7.722	1.00	1.00
Akeboside Ste	1.00	1.00
Akeboside Ste -9.059	1.00	1.00
Akeboside Ste +9.078	1.00	1.00
Aknadicine	1696.67	1.00
AK-toxin I	1.00	1.00
AK-toxin I -6.929	1.00	1.00
AL 6598	1.00	2402.75
Ala Ala Arg	5150.33	2921.50
Ala Ala His	1.00	1.00
Ala-Ala-OH	1.00	1256.00
Ala Ala Pro	4396.67	6461.25
Ala Ala Pro +3.224	1.00	1.00
Ala Ala Ser	1.00	1.00
Ala Asn Asn	3064.33	1.00
Ala Asn Val	1.00	24697.25
Ala Asn Val +3.232	3368.33	1.00
Ala Asp Ala	104337.67	94917.00
Ala Gly Leu	1.00	1.00
Ala Gly Leu +3.421	1.00	1.00
Ala Gly Leu +3.5762498	10552.33	2899.50
Ala Gly Leu +3.7154999	30467.33	1.00
Ala His His	1.00	1.00
Ala His His +1.669	1.00	1.00
Ala Ile Arg	10780.33	11025.25
Ala Ile Ile	3461.00	1.00
Ala Ile Ile +3.861	12422.67	1.00
Ala Lys Cys	1.00	1.00
Ala Lys Lys	1.00	1.00
Alamarine	1.00	6457.00
Alangicine	1.00	1.00
Alanopine	30916.00	1.00
Alanopine +1.402	8001.00	1.00
Alanylclavam	1.00	4059.00
?-Alanyl-L-arginine	1.00	7931.25
Ala Phe Ala	1.00	1.00
Ala Phe Ala +4.436	1.00	1.00
Ala Phe Ala +5.032	1.00	1.00
Ala Phe Gln	9621.00	8457.50
Ala Pro	40218.33	8094.00
Ala Pro Asn	4181.00	9582.50
Ala Pro Asn +1.113	12271.00	1.00
Ala Pro Asn +3.096	1.00	5052.25
Ala Pro Val	10709.67	1.00
Ala Pro Val +3.966	1.00	3060.25
Ala Ser Gln	1.00	1.00
Ala Ser Ile	1.00	1.00
Ala Ser Ile -3.091	1.00	1.00
Ala Ser Ile +3.763	1.00	1.00
Ala Ser Ile +3.85	1.00	1.00
Ala Ser Pro	1.00	1.00
Ala Ser Val	10361.33	16291.75
Ala Ser Val +1.6235	1.00	1.00
Ala Ser Val +1.626	1.00	1999.75
Ala Thr His	1.00	1.00
Ala Thr Leu	1.00	1.00
Ala Thr Leu +3.796	1.00	1.00
Ala Thr Phe	1.00	1.00
alatolide	1.00	1.00
Ala Trp	1.00	1.00
Ala Trp +3.9575	1.00	5460.00
Ala Trp +4.1359997	1.00	5794.25
Ala Trp Arg	1.00	12745.50
Ala Trp Ser	16149.67	18775.00
Ala Tyr Phe	1.00	8610.00
Ala Val Lys	1.00	1.00
Ala Val Lys +1.625	6626.33	1.00
Ala Val Phe	1.00	1.00
Ala Val Phe +4.109	10509.00	1.00
albendazole (IV) 1H-Benzimidazol-2-amine	1.00	1.00
albendazole sulfone	1.00	8662.50
Aldoifosfamide	1.00	1.00
Alfentanil	1.00	1.00
Alfentanil -6.707	1.00	1.00
Alfentanil -6.903	1.00	1.00
Alfentanil -7.187	1.00	1.00
Alfentanil -7.292	1.00	1.00
Alfentanil -7.766	1.00	1.00
Alfentanil -7.8500004	1.00	1.00
Alfentanil -8.154	1.00	1.00
Alfentanil -9.0605	1.00	1.00
Allantoate	2050.33	10076.75
Alliogenin	1.00	1.00
Allogibberic acid	1.00	1.00
Allogibberic acid +3.2175002	1894.67	1.00
Allogibberic acid +3.6	1.00	5323.00
Allopumiliotoxin 267A	5784.00	1.00
Allopumiliotoxin 267A +0.931	1.00	4868.25
Allopumiliotoxin 267A +10.211	1.00	1464.75
Allopumiliotoxin 267A +5.698	1.00	1.00
Allopumiliotoxin 267A +8.249	1.00	1.00
allopurinol	238493.67	538652.25
allopurinol +1.6051251	389842.67	315196.25
allopurinol +2.8923333	1.00	1.00
allopurinol +3.0878463	153823.00	68044.50
Allosamidine	1.00	1379.00
Allosamidine +3.333	6630.00	1.00
Allosamidine -6.9235	1.00	1.00
Alloxydim	1.00	1.00
all-trans-Dehydroretinal	1.00	1.00
all-trans-Dehydroretinal +8.6905	6234.00	9614.00
all-trans-hexaprenyl diphosphate	163515.33	933495.25
all-trans-hexaprenyl diphosphate +5.2238336	1.00	34714.25
all-trans-hexaprenyl diphosphate +5.54475	8294.33	52061.75
all-trans-hexaprenyl diphosphate +6.033	1.00	2444.50
all-trans-nonaprenyl diphosphate	1.00	1.00
all-trans-pentaprenyl diphosphate	1.00	2764.50
Allyl chloride	1.00	11288.00
Allyxycarb	2847.33	2858.25
Allyxycarb -6.6863327	1.00	1.00
Almotriptan	1.00	7577.75
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol	1.00	1.00
alpha,4,2^-Trihydroxy-4-O-geranyldihydrochalcone	1.00	1.00
alpha-Allokainic acid	1.00	1.00
alpha-Allokainic acid +1.5193334	1.00	1.00
alpha-Allokainic acid +3.155	1.00	1.00
alpha,alpha^-diethyl-3,4,3^,4^-stilbenetetraol	1.00	1.00
alpha,alpha-dimethylallylcyclolobin	1.00	2252.25
alpha,alpha-dimethylallylcyclolobin +1.6240001	1.00	1429.75
alpha-Amylcinnamaldehyde	79183.00	78699.25
alpha-Amylcinnamaldehyde +3.296	8677.00	1.00
alpha-Amylcinnamaldehyde +3.746	1.00	1.00
alpha-Amylcinnamaldehyde +5.6125	1.00	15818.75
alpha-Amylcinnamaldehyde +5.6143336	1.00	1.00
alpha-Chaconine	1.00	1751.75
Alpha-D-Fucose	14905.33	24749.00
Alpha-D-Fucose +1.1925	1.00	1.00
Alpha-D-Fucose +2.345	1.00	1.00
alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-gluc...	1.00	1.00
alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-gluc...	4572.33	1.00
Alpha-D-Manp-(1 - 2)-a-D-Manp-(1 - 2)-a-D-Manp-(1 - 3)-b-D-M...	1.00	1.00
alpha-EMTBL	1.00	1.00
alpha-Methylstyrene	1.00	3375.75
alpha-Methylstyrene +10.137751	12034.67	22990.50
alpha-Methylstyrene +3.893	1.00	1.00
alpha-Methylstyrene +5.387	1.00	6420.25
alpha-Naphthylacetamide	1.00	1800.00
Alpha-N-Phenylacetyl-L-glutamine	1.00	11874.75
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile	1.00	4116.75
alpha-Sanshool	1.00	1.00
alpha-Sanshool +1.6300001	37611.00	4358.25
alpha-Sanshool +3.367	1.00	1.00
Alpinine	1.00	1.00
Alpinine +6.1286664	4723.33	4623.75
Alteichin	1.00	1.00
Alteichin -1.3896666	1.00	1.00
aluminum acetate	1.00	1.00
Amabiline	1.00	11734.25
AMC Arachidonoyl Amide	1.00	1.00
Ametryn	1.00	1.00
Ametryn +1.405	1.00	1.00
Amidithion	1.00	1.00
Amino acid(Arg-)	707490.33	188480.25
Amino acid(Arg-) -0.916	1.00	1.00
Amino acid(Arg-) +1.62	1.00	3118.00
?-Aminobutyryl-lysine	11452.67	2206.00
aminocaproic acid	49946.00	1.00
AminoDAHP	1.00	1.00
AminoDHQ	20171.00	28101.25
AminoDHQ +1.6336665	24624.67	16895.75
?-Aminodiphenylacetic acid	1.00	29402.00
Aminofurantoin	1.00	25747.50
Aminoglutethimide	1.00	23913.50
aminohippuric acid	1.00	1.00
Aminoparathion	1.00	1.00
Aminoparathion -1.6865	1.00	1.00
Amiprilose	1.00	1.00
Amiprilose +10.625	1.00	1489.25
Amiprilose -5.169	1.00	1.00
Amiprilose +7.264	1.00	2406.50
amitraz	9898.67	1.00
Ammodendrine	1.00	1.00
Ammodendrine +2.118	1.00	4713.50
Ammodendrine +3.4542	15010.33	1.00
Amobarbital	13108.00	5373.50
Amobarbital +1.6295	1.00	1534.00
Amorphigenol O-vicianoside	1.00	1.00
Amoxapine	6932.67	1.00
AMPA	1.00	1.00
AMPA +0.974	55401.00	1.00
AM-toxin I	1.00	2606.00
AM-toxin I -6.094	1.00	1.00
AN-7	1.00	1.00
Anabasamine	1.00	1.00
Anandamide 0-phosphate	1.00	1.00
Anandamide (20:2, n-6)	5511.00	3185.00
Anandamide (20:l, n-9)	1.00	1.00
Anandamide (20:l, n-9) +13.1025	2671.33	1.00
Anastrozole	1.00	27777.25
Anastrozole +1.395	2374.33	1.00
Anastrozole +1.624	1.00	1.00
Anastrozole +4.371	1.00	1.00
Anastrozole +4.9919996	1.00	1.00
Anastrozole +5.6375	1.00	1.00
Anastrozole +6.228	1.00	8645.00
Anatoxin a(s)	1.00	1.00
Anatoxin a(s) +3.124	1.00	1.00
Androsta-1,4-dien-3,17-dione	1.00	5428.00
Androsta-1,4-dien-3,17-dione +4.453	1.00	1.00
Androsta-1,4-dien-3,17-dione +4.707	4574.67	1.00
Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol	1.00	4606.00
Androstrane skeleton	1.00	1.00
Angolensic Acid, Methyl Ester	1.00	2825.00
Angolensic Acid, Methyl Ester +10.139999	1.00	1.00
Angolensic Acid, Methyl Ester +7.803	1.00	1.00
Angophorol	1.00	1.00
Angophorol -6.577	1.00	1.00
Anhalonidine	290683.33	171988.00
Anhalonidine +1.3523124	133812.00	73670.25
Anhalonidine +1.404	1.00	1.00
Anhalonidine +3.1333332	1.00	1.00
Anhalonidine +3.82125	44164.00	49798.75
Anhydroicaritin 3-rhamnosyl-(1-2)-rhamnoside	1.00	2217.00
Anhydrotetracycline	9539.67	1.00
Anibine	1.00	1.00
Aniflorine	1.00	1.00
Anisole	1.00	1.00
Anisole +1.286	1.00	2297.00
Anisole +1.394	5115.33	1.00
Anisole -4.947	1.00	1.00
Anisole -5.116	1.00	1.00
Ankorine	1.00	11757.75
A-Norpregn-3(5)-ene-2,20-dione	1.00	6355.00
A-Norpregn-3(5)-ene-2,20-dione +7.658	1.00	1.00
A-Norpregn-3(5)-ene-2,20-dione +9.0645	5897.67	13253.00
Anthanthrene	1.00	1.00
Anthopleurine	1.00	1.00
Anthrafravic acid	1.00	1.00
Anthranilic acid	1.00	1.00
Anthranilic acid +0.9837142	4877.00	2304.00
Anthranilic acid +1.0825	26606.00	1.00
Anthranilic acid +1.1104	1.00	19015.00
Anthranilic acid +1.598875	68473.00	29030.50
Anthyllin	4905.33	1.00
Antimony tartrate	1.00	40550.25
Antimony tartrate +5.895	1.00	5961.25
Antirrhinoside	1.00	1.00
Antirrhinoside -1.383	1.00	1.00
Antirrhinoside -1.609	1.00	1.00
Aprobarbital	1.00	1.00
Aprobarbital +1.212	1.00	1.00
Aprobarbital +4.5874996	1.00	1.00
Aquayamycin	1.00	1.00
Arabinosylhypoxanthine	42276.67	8001.00
Arabinosylhypoxanthine +2.867	15583.33	17469.75
Arabinosylhypoxanthine +2.907	15029.33	1.00
Aragusteroketal	3640.67	1.00
Aralionine A	1.00	1.00
Arbutin	8533.33	18066.00
Arbutin -1.3859999	1.00	1.00
Arbutin -1.616	1.00	1.00
Arbutin -3.768	1.00	1.00
Arbutin -3.9636002	1.00	1.00
Arbutin -4.1083336	1.00	1.00
Arbutin +4.6815	1.00	2100.00
Arctiopicrin	1.00	1.00
Arecaidine	6867.67	1.00
Arg Ala Pro	2207.00	1.00
Arg Arg	1.00	1.00
Arg Arg Glu	3599.33	1.00
Arg Arg Thr	1.00	1.00
Arg Arg Thr +7.943	1.00	1.00
Arg Arg Thr -9.23	1.00	1.00
Arg Asn Arg	1.00	1.00
Arg Asn Met	1.00	1.00
Arg Cys	1.00	2560.50
Arg Cys Tyr	1.00	1.00
Arg Cys Tyr -3.519	1.00	1.00
Arg Cys Tyr -7.207333	1.00	1.00
Arg Gln Arg	42710.33	554345.25
Arg Gln Arg +5.1696362	212852.00	297600.75
Arg Glu	1.00	1.00
Arg Gly	11812.67	1.00
Arg Gly +1.385	8366.00	1.00
Arg Gly Arg	1.00	1.00
Arg Gly Asn	1.00	1871.00
Arg His Gln	1.00	15486.25
Arg His Gly	1.00	1.00
Arg Ile Thr	1.00	1.00
Argininic acid	4534.33	7908.50
Argininic acid -0.949	1.00	1.00
Argininic acid +0.9595	157186.33	160064.50
Arg Leu	1.00	1.00
Arg Leu +1.622	1.00	1.00
Arg Leu Ile	1.00	1.00
Arg Leu Lys	1.00	3259.75
Arg Leu Phe	1.00	1.00
Arg Lys Gln	1.00	1.00
Arg Lys Gln -9.059667	1.00	1.00
Arg Met	1.00	1.00
Arg-OEt	109646.33	47712.50
Arg Phe	4192.67	1.00
Arg Phe His	1.00	1.00
Arg Phe His -6.613	1.00	1.00
Arg Pro Gly	1.00	1.00
Arg Ser Asp	1.00	1.00
Arg Thr	1.00	7504.25
Arg Trp Ala	1.00	26026.50
Arg Trp Met	1.00	1894.25
Arg Tyr Glu	1.00	1.00
Arg Val Ile	1.00	1.00
Arg Val Ile +3.382	1.00	1.00
Arg Val Phe	1.00	1.00
Arg Val Phe -8.123	1.00	1.00
Arg Val Pro	1.00	1.00
Argyrolobine	1.00	1.00
Argyrolobine +1.349	1.00	2652.50
Argyrolobine +3.312	1.00	4089.50
Argyrolobine +3.375	7217.33	1.00
Argyrolobine +3.8693333	2197.33	1648.50
Argyrolobine +3.9098	8229.33	1.00
Argyrolobine +3.993	1.00	1.00
Argyrolobine +5.551	24020.00	1.00
Argyrolobine -5.8046665	1.00	1.00
Argyrolobine -5.8175	1.00	1.00
Argyrolobine +6.136	1.00	1.00
Artecanin	1.00	1.00
Artemisiifolin	6460.00	7958.25
Artoindonesianin B	1.00	3387.25
Artoindonesianin B +1.053	5880.33	1.00
Artoindonesianin B +3.346	1.00	1.00
Artonin K	1.00	38191.00
(-)-AS 115	1.00	2906.25
Asn Ala Cys	30847.67	3697.50
Asn Ala Cys +1.386	12466.67	1.00
Asn Ala Cys +1.6563333	18488.33	3379.25
Asn Ala Cys +3.152	1.00	1.00
Asn Arg His	3025.67	1.00
Asn Arg His +3.8260002	5589.67	1.00
Asn Arg Lys	1.00	1.00
Asn Asn Asn	1.00	1.00
Asn Asn His	1.00	1.00
Asn-Asn-OH	1.00	1.00
Asn-Asn-OH -4.483	1.00	1.00
Asn Asn Val	1.00	1.00
Asn Asp Gln	1.00	1.00
Asn Gln Glu	1.00	1.00
Asn Glu Val	3115.00	9652.75
Asn Glu Val +3.311	1.00	1.00
Asn Gly Lys	1.00	2913.75
Asn His	1.00	1.00
Asn His +0.937	1.00	1.00
Asn His +0.941	1.00	1.00
Asn His Ile	1.00	3232.75
Asn His Ile -4.7473335	1.00	1.00
Asn Leu Pro	1.00	1.00
Asn Lys Val	1.00	1.00
Asn Thr Thr	2568.33	13887.75
Asn Trp	30325.67	1.00
Asp Ala	1.00	1.00
Asp Ala His	4247.67	5460.50
Asp Arg Leu	5081.67	1.00
Asp Asn Asn	1.00	9186.50
Asp Asp Phe	1.00	1.00
Asp Asp Pro	1.00	3880.75
Asp Asp Ser	1.00	1.00
Asp Asp Ser -3.774	1.00	1.00
Aspergillic acid	1.00	1.00
Asperuloside	1.00	1.00
Asperuloside -3.071	1.00	1.00
Aspidinol	1.00	1.00
Aspidinol -6.5646667	1.00	1.00
Aspidinol -6.6270003	1.00	1.00
Aspidoalbine	1.00	1.00
Aspidoalbine +5.89	26886.00	1.00
Asp Ile Val	1.00	1.00
Asp Ile Val +11.796666	1.00	1423.00
Asp Lys Leu	1.00	1.00
Asp Lys Pro	1.00	1.00
Asp Met Trp	1.00	1.00
Asp-Phe	1.00	28145.50
Asp-Phe methyl ester	1.00	1.00
Asp Phe Val	1.00	1.00
Asp Pro Ala	1.00	2050.50
Asp Pro Phe	1.00	1.00
Asp Ser Asn	1.00	1.00
Aspulvinone H	1.00	1.00
Aspulvinone H -7.604	1.00	1.00
Aspulvinone H -7.791	1.00	1.00
Astaxanthin diglucoside/ Astaxanthin ?-D-diglucoside	1.00	1.00
Atenolol	1.00	4285.25
Atenolol +1.623	1.00	6517.00
Atenolol +4.1085	107469.67	1.00
a-Tetrasaccharide	1.00	1.00
Athamantin	1.00	1.00
Athamantin -5.903	1.00	1.00
Athamantin -6.482	1.00	1.00
Athamantin -6.482 :1	1.00	1.00
Athamantin -6.693	1.00	1.00
Athamantin -7.003	1.00	1.00
Atraton	1.00	1.00
Atraton +1.112	1.00	1.00
Atraton +3.449	7331.33	1.00
Atraton +3.636	1.00	1.00
Atropaldehyde	3823.33	3781.25
Atropaldehyde +3.173	1.00	2491.75
Atropine	11218.33	1.00
Auramine	1.00	1.00
Auramine -10.3725	1.00	1.00
Auramine -10.970857	1.00	1.00
Aureothin	1.00	1.00
Aureothin -10.5235	1.00	1.00
Auriculine	1.00	25531.75
Avenanthramide A	1.00	1.00
Avermectin A1a aglycone	33338.67	1.00
Avermectin A1a aglycone +6.76	48325.67	1.00
Avermectin A1a monosaccharide	8841.67	14284.00
Avermectin A1a monosaccharide +11.7942505	61751.67	61809.00
Avermectin A1a monosaccharide +6.3924994	53316.33	75657.25
Avermectin A1a monosaccharide +6.4822006	158985.67	146118.50
Avermectin A2a monosaccharide	1.00	1.00
Avermectin B1b aglycone	1.00	1.00
Avermectin B1b aglycone -7.684	1.00	1.00
Avermectin B2a aglycone	1.00	1.00
Axisothiocyanate 3	1.00	18812.25
Azafenidin	9084.33	4835.00
Azafenidin +13.650666	5860.33	1.00
azaperone	1.00	1.00
Azaserine	1.00	17562.25
Aziridyl benzoquinone	1.00	1.00
Azithromycin	1.00	1.00
B-(4-Fluorobenzoyl)propionic acid	1.00	6910.25
bacteriohopanetetrol cyclitol	1.00	1.00
Balfourodine	1.00	2758.75
Baptifoline	1.00	8000.50
Baptifoline +1.391	18069.67	16057.50
Baptifoline +3.295	1.00	1.00
Baptifoline -5.4105	1.00	1.00
Baptifoline -5.792333	1.00	1.00
Barbatoflavan	1.00	1.00
Barbital	1.00	1.00
Batrachotoxinin A	11338.67	6226.00
BAY-60-7550	1.00	1.00
BAY-60-7550 +6.789	1.00	1.00
b-D-Galactopyranose	272557.67	335157.00
b-D-Glucopyranosiduronic acid	1.00	1.00
b-D-Glucopyranosiduronic acid, 3-(6-hydroxy-2-naphthalenyl)-...	1.00	1.00
b-D-Glucopyranosiduronic acid, 3-(6-hydroxy-2-naphthalenyl)-...	1.00	1.00
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl	1.00	1.00
b-D-Glucopyranosiduronic acid, 6-(3-oxobutyl)-2-naphthalenyl...	6640.67	1.00
Bellendine	4862.33	1.00
Benexate	1.00	1.00
Benfluorex	1.00	1.00
Benfotiamine	7169.67	1.00
Benorilate	1.00	1.00
Benquinox	1.00	1.00
Benthiavalicarb isopropyl	1.00	1.00
Benthiavalicarb isopropyl -6.453	1.00	1.00
Benzal chloride	1.00	1.00
Benzal chloride -0.937	1.00	1.00
Benzaldehyde	16229.00	1.00
Benzaldehyde +2.875	1.00	1.00
Benzo[a]pyrene-trans-11,12-dihydrodiol	1.00	37991.00
Benzofuran	29389.00	11583.25
Benzo[ghi]fluoranthene	1.00	1983.75
Benzo[ghi]perylene	1.00	1.00
Benzoylagmatine	9770.00	7774.75
Benztropine	10572.00	11302.00
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	1.00	1.00
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate +1.075	1.00	1.00
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate +5.220625	14873.67	37986.25
Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate	1.00	1.00
Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate +5.625	1.00	1.00
benzylazanium	1.00	1.00
Benzyl benzoate	1.00	1.00
Benzyl benzoate +3.942	1.00	5254.75
Benzyl chloride	1.00	11566.75
Benzyloxyphenylisoserine Methylester	11499.00	1.00
Benzylsuccinate	1.00	1.00
Benzylsuccinate +4.096	1.00	1.00
Benzylsuccinate +5.2735	30253.67	1.00
Bestatin	7056.33	8342.75
Bestatin +3.6974285	8359.33	197778.25
Bestatin -3.78	1.00	1.00
Bestatin +4.6335	1.00	1.00
Bestatin +4.8338575	1.00	7924.75
Bestatin -5.817	1.00	1.00
Bestatin +5.8190002	1.00	3155.50
Bestatin +5.8783336	1.00	1.00
Bestatin -6.053	1.00	1.00
Bestatin +6.0587997	1.00	3999.50
Bestatin +6.1194	1.00	1.00
Bestatin +6.22	1.00	1.00
beta-Cyclocostunolide	1.00	1.00
beta-D-Apiose	26784.00	13779.25
beta-D-Galactosyl-(1-4)-L-rhamnose	19258.67	1.00
beta-D-Gentiobiosyl crocetin	17106.33	23048.50
beta-Eucaine	1.00	1.00
Betaine	2289999.33	2309192.75
Betaine +1.1235	15247.67	1.00
Betaine +1.23025	1739709.33	2334457.00
Betaine +1.2870667	569224.33	405672.00
Betaine aldehyde	1.00	21878.75
Betaine aldehyde +0.841	1.00	1.00
Betaine aldehyde +4.299	1.00	1.00
beta-tocotrienol	1.00	1.00
beta-Zearalanol	1.00	1.00
beta-Zearalanol +1.332	1.00	1.00
Bethanechol	28954.00	19464.50
Bethanechol +0.871	1.00	6276.50
Bethanechol +1.19025	11953.33	15064.25
b-Glucose	258016.00	75066.50
b-Glucose +0.999	1.00	16461.00
b-Glucose -1.0226667	1.00	1.00
Bialaphos	1.00	1.00
Bifemelane M1	1.00	1.00
Bifemelane M1 +4.534	1.00	1.00
BILA 2185BS	1.00	1.00
BILA 2185BS +6.406	1.00	9013.00
BILA 2185BS +6.944	14060.67	16194.25
BILA 2185BS +7.838	1.00	8320.25
Binapacryl	1.00	1.00
Binapacryl +1.3986667	1.00	11528.00
Binapacryl +3.242	1.00	1.00
Binapacryl +3.411	1.00	1.00
Binapacryl +4.744	1.00	1708.25
Binapacryl +6.926	1.00	1.00
Binapacryl +6.9715004	1.00	1.00
Biopterin	1.00	1.00
Biopterin +0.926	1.00	1670.00
Bioresmethrin	1.00	1.00
Bioresmethrin +4.52	1.00	1.00
Biotin-X-NHS	1.00	7362.50
Biperiden	1.00	1.00
Bis(2-chloroethyl)ether	1.00	1.00
Bis (2-hydroxypropyl) amine	502774.67	348629.75
Bis (2-hydroxypropyl) amine +1.6224375	329152.00	238874.25
Bis (2-hydroxypropyl) amine +2.9927332	83376.33	80575.75
bis(4-fluorophenyl)-Methanone	1.00	6457.00
Bis(4-hydroxyphenyl)methanol	1.00	1891.50
Bis(4-hydroxyphenyl)methanol -6.593	1.00	1.00
Bis(4-hydroxyphenyl)methanol -6.5975	1.00	1.00
Bisacodyl diphenol	1.00	1.00
Bisdemethoxycurcumin	9844.33	1.00
Bisdesethylchloroquine	1.00	1.00
Bisdesethylchloroquine +6.413	8022.00	1.00
Bisindolylmaleimide I	1.00	1.00
Bisphenol A bis(chloroformate)	1.00	1.00
Bisphenol A bis(chloroformate) -5.381	1.00	1.00
Bisphenol A dimethacrylate	8709.33	1.00
Bleekerine	1.00	7271.25
Bluensidine	2860.00	1.00
BM 567	1.00	3438.25
BMPN-benzoic acid glucuronide	1.00	12558.25
Boc-Asn	1.00	1.00
Boc-Phe(NMe)-Gly-OMe	1.00	6077.50
Boc-Phe(NMe)-Gly-OMe +0.94200003	7213.67	1.00
Boc-Phe(NMe)-Gly-OMe +1.395	1.00	2547.75
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	24670.33	42582.50
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +6.22	1.00	1.00
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +6.554	1.00	5245.75
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +6.6223335	1.00	3361.25
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.169	1.00	2645.75
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.34	19569.00	39485.50
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe -7.4078	1.00	1.00
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.4296665	19744.00	7466.75
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.5495715	53125.67	73635.75
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +7.947	1.00	6023.25
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe +8.002999	1.00	5437.00
Boc-Pro-DVal(NMe)-Val-OMe	1.00	1.00
Boc-Pro-Phe(NMe)-Gly-OMe	1.00	1.00
B-Octylglucoside	1.00	3988.50
B-Octylglucoside +7.479666	1.00	5321.50
BQ 123	1.00	1.00
BQ 123 +9.26	1.00	7429.25
BQ 485	1.00	1709.75
Brevetoxin C	1.00	1.00
Bromotheophylline	1.00	1.00
Bromoxynil	1.00	2975.00
Brosimacutin B	1.00	6478.75
Broussinol	8762.67	1.00
Broussinol +1.063	8597.33	1.00
Broussinol +1.281	23041.00	1.00
Bruceantin	1.00	1.00
Bruceantin -7.634	1.00	1.00
Bruceantin -8.2965	1.00	1.00
Brugine	1.00	3940.50
Brugine +0.972	1.00	1.00
Brunfelsamidine	1.00	1.00
Brunfelsamidine +3.936	1.00	4223.75
Bryophyllin A	1.00	1.00
Bryophyllin A -7.558	1.00	1.00
Bryophyllin A +7.684	1.00	1.00
Bryostatin 1	1.00	1.00
Buclizine	1.00	1.00
Bufotalin	1.00	1.00
Bullatacinone	9378.67	9886.25
Bupirimate	1.00	1.00
butalbital	2198.67	16286.50
butalbital +1.122	1.00	5650.50
butalbital +1.311	1.00	1.00
butalbital +3.874	1.00	1.00
butalbital +4.6794	1.00	7307.50
Butenachlor	1.00	1.00
Buthiobate	1.00	1.00
Buthionine sulfoximine	1.00	6549.75
butoconazole	1.00	1.00
Butonate	1.00	1.00
Butopyronoxyl	1.00	1.00
Butopyronoxyl +10.215	1.00	1.00
Butopyronoxyl +5.200667	1.00	41446.75
Butopyronoxyl -5.237	1.00	1.00
Butopyronoxyl +5.2543325	80413.33	20097.50
Butopyronoxyl +5.26	1.00	12051.00
Butopyronoxyl +5.5543847	6497.00	39132.50
Butopyronoxyl +5.6206665	6318.33	1.00
Butopyronoxyl +7.471	1.00	1.00
Butralin	5431.33	3242.75
Butralin +11.841499	1.00	16512.50
Butralin +11.983	12137.33	18446.00
Butralin +3.752	1.00	1.00
Butralin +3.902	37879.00	1.00
Butralin +4.489	1.00	1.00
Byakangelicin	1.00	1.00
Byakangelicin +3.519	1.00	6054.75
Byakangelicin -5.608	1.00	1.00
C12	49341.67	57477.25
C12:4n-2,4,8,10	1.00	5026.00
C12:4n-2,4,8,10 +3.96	1.00	4905.75
C12:5n-1,3,5,7,9	1.00	1.00
C-12 NBD Ceramide	1.00	1.00
C14:5n-1,3,5,7,9	1.00	1.00
C14:5n-1,3,5,7,9 +1.325	1.00	1.00
C14:5n-1,3,5,7,9 +6.273	1.00	1.00
C14:5n-1,3,5,7,9 +6.518	1.00	1.00
C16:4n-4,8,10,14	51640.67	50904.00
C16:4n-4,8,10,14 +7.981	1.00	8053.25
C16:4n-4,8,10,14 +8.028	1.00	19835.25
C17 Sphinganine	88367.33	85569.50
C17 Sphinganine +10.175	1.00	1.00
C17 Sphinganine +9.726	1.00	1.00
C17 Sphinganine +9.946	1.00	1.00
C22:5n-3,7,10,14,18	8258.00	2379.75
C-6 NBD Ceramide	1.00	12032.25
C-6 NBD Ceramide +6.463	1.00	16156.00
C-6 NBD-dihydro-Ceramide	1.00	2322.25
C75	1.00	1.00
C75 -5.0664997	1.00	1.00
C75 +7.8009996	1.00	1.00
Cadiamine	1.00	2836.00
Cadiamine +5.178	7300.33	1.00
Caffeate	1.00	1.00
Caffeine	1.00	1.00
Caffeine +1.14	3692.00	1.00
Caffeine +1.4095	1.00	5481.00
Caffeoylputrescine	1.00	1.00
Calanolide A	1.00	1.00
Calanolide A -7.5126	1.00	1.00
Calligonine	28610.33	1.00
Callytriol C	12889.00	4785.75
Callytriol C -10.9184	1.00	1.00
Callytriol C -10.988733	1.00	1.00
Callytriol C -11.043875	1.00	1.00
Callytriol C -11.158357	1.00	1.00
Callytriol C +6.516	2627.00	1.00
Calomelanol G	1.00	14326.50
Calomelanol J	1.00	2036.00
Calpeptin	1.00	1.00
Calystegin A3	1.00	9586.25
Calystegin B2	4403.00	2831.75
Camptothecin	1.00	2651.50
Camptothecin +12.603	50591.33	42117.50
Camptothecin +13.102	1.00	1.00
Camptothecin +13.1518755	218226.67	170707.25
Camptothecin +13.647939	52117.33	35712.00
Cancentrine	1.00	1.00
Cancentrine -3.2965	1.00	1.00
Cancentrine -3.346	1.00	1.00
Candletoxin A	54425.33	1.00
Candletoxin A +9.082	10717.67	1.00
Candletoxin A +9.2455	1.00	36355.50
Candoxatrilat	1.00	1.00
Cannabidiolic acid	3963.00	6305.75
Canthin-6-one	1.00	1.00
Canthiumine	1.00	1.00
Canthiumine -6.603	1.00	1.00
Canthiumine +6.822	1.00	1.00
Canthiumine +7.2945	1.00	1.00
Caohuoside D	1.00	1.00
Capillartemisin A	1.00	1.00
Capillartemisin B	49774.33	54351.25
Capillartemisin B +13.442	2505.33	1.00
Capillartemisin B +3.198	1.00	1.00
Capillone	1.00	1.00
Capryloylglycine	1.00	1.00
Capryloylglycine +1.3965	1.00	1.00
Capryloylglycine +3.4616668	1.00	1.00
Capryloylglycine +5.723	1.00	1.00
Capsaicin	3615.33	4211.50
Capsaicin +3.607	10644.00	1.00
Capsaicin +5.874	1.00	3036.75
Capsi-amide	20993.67	21594.25
Capsi-amide +13.055093	16145.33	24434.75
Capsianoside I	1.00	1.00
Capsianoside I -6.932	1.00	1.00
Carbadox	1.00	1.00
Carbanolate	1.00	4191.25
Carbendazim	1.00	1.00
Carbestrol	1.00	1.00
Carbidopa	30598.33	25791.75
Carbidopa +1.62	3034.33	5976.75
Carbidopa +3.242	1.00	9123.00
Carbidopa +3.325	1.00	6624.50
Carbidopa +3.47725	6315.33	1.00
Carbidopa -3.5249999	1.00	1.00
Carbidopa +3.5523	19720.67	10694.00
Carbocyclic Thromboxane A2	1.00	1.00
Carbofuran	1.00	1.00
Carboxynorspermidine	1.00	4579.00
Carboxyprimaquine	1.00	1.00
Carboxyprimaquine +4.85325	1.00	3003.50
Carboxyprimaquine +5.09175	1.00	1.00
Carboxyprimaquine -6.1990004	1.00	1.00
Carboxytolbutamide	1.00	1.00
Cardiogenol C	1.00	1.00
Cardiogenol C +5.057	1.00	1.00
carisoprodol	1.00	1.00
carisoprodol +3.041	1.00	1.00
carisoprodol +3.1360002	13289.33	9970.50
Carmamycin A	25216.33	1.00
Carminomycin	1.00	1.00
Carminomycin +4.407	4371.00	1.00
Carnitine	258789.33	298615.50
Carnosic acid	1.00	2614.25
Carolinianine	5034.00	1.00
Carolinianine +3.992	11100.00	4361.00
Carolinianine +6.151	50932.00	1.00
Carolinianine +6.247	22373.00	1.00
Carolinianine +6.301	10202.33	1.00
Carolinianine +6.665	38601.67	1.00
Carolinianine +9.397	1.00	1.00
Carpelastofuran	4796.33	1.00
Carpipramine	134428.00	172796.25
Carpipramine +6.338333	1.00	248176.00
Carteolol	7967.00	13864.00
Carteolol +4.0994997	33843.33	6541.00
Carteolol +4.652	42437.33	1.00
Carteolol +4.893	14217.00	1.00
Carteolol +5.2475	15350.00	3056.00
Carteolol +5.291	11899.33	1.00
Carteolol -7.542	1.00	1.00
Cartilagineal	1.00	1.00
Cartilagineal -3.944	1.00	1.00
Carylophyllene Oxide	643025.67	1.00
Caryoptin	1.00	1.00
Caryoptin +5.3710003	1.00	1.00
Caryoptin -7.185	1.00	1.00
Caryoptin -9.055	1.00	1.00
(-)-Cassaic acid	1.00	1.00
Cassaidine	26900.33	34163.00
Cassaidine +10.614	97759.33	1.00
Cassaidine +13.289437	16014.67	29121.50
Cassaidine +7.545667	6450.33	5110.50
Cassiaside B2	1.00	1.00
Castanospermine	1.00	1.00
Castanospermine +1.393	1.00	14509.75
Castanospermine +1.397	16820.33	25779.50
Castanospermine +3.516	1.00	1.00
Catechin 7-O-beta-D-xyloside	1.00	1.00
Cauloside C	1.00	1.00
Cavinine	2819.00	1.00
Cavinine +3.535	1.00	12299.25
Cavinine +6.967	1.00	1.00
CAY10401	1.00	1.00
CAY10401 -10.588538	1.00	1.00
CAY10401 -9.663	1.00	1.00
CAY10444	11722.00	1.00
CAY10449	57315.67	1.00
CAY10464	1.00	1.00
CAY10485	1.00	1.00
CAY10485 -1.586	1.00	1.00
CAY10487	1.00	1.00
CAY10492	1.00	2213.00
CAY10492 +3.984	1.00	1.00
CAY10506	1.00	1.00
CAY10514	1.00	1.00
CAY10568	1.00	9998.25
CAY10572	1.00	2745.25
CAY10572 +5.284	1.00	1.00
CAY10574	1.00	1.00
CAY10581	1.00	1.00
CAY10587	1.00	1.00
CAY10587 +3.18	1.00	1.00
CAY10589	1.00	1.00
CAY10591	1.00	1.00
CAY10594	1.00	1.00
CAY10594 -6.3613334	1.00	1.00
CAY10594 -6.649	1.00	1.00
CAY10594 -6.8641996	1.00	1.00
CAY10594 -7.057889	1.00	1.00
CAY10594 -7.168	1.00	1.00
CAY10594 -7.84875	1.00	1.00
CAY10594 -8.029313	1.00	1.00
CAY10598	13484.67	195762.75
CAY10598 +6.008167	170554.00	34639.50
CAY10599	1.00	1.00
CAY10606	9980.00	1.00
CAY10606 +1.4035	20477.67	1.00
CAY10622	1.00	1.00
CAY10622 +4.118	1.00	28272.50
CAY10622 +4.528	1.00	6013.75
CAY10622 +5.2185	1.00	1.00
CAY10622 +5.533	1.00	1.00
CAY10625	1.00	1.00
CAY10625 -4.854	1.00	1.00
CAY10625 -5.152	1.00	1.00
CAY10625 -6.2405	1.00	1.00
CB-13	20253.00	20128.50
CB3717	1.00	1.00
CCT018159	1.00	1.00
CCT018159 -7.062	1.00	1.00
Ceanothine B	1.00	1.00
Ceanothine B -7.763	1.00	1.00
Ceanothine B -9.06	1.00	1.00
Cefazolin	1.00	1.00
Cefepime	10261.00	1.00
Ceftibuten	1.00	1.00
Celastramycin A	1.00	1.00
Celiprolol	23467.67	35612.25
Cellobiono-1,5-lactone	1.00	1.00
Cephabacin F3	1.00	2228.25
Cephabacin F3 -0.89000005	1.00	1.00
Cephabacin F3 -0.8915	1.00	1.00
Cephabacin F3 -6.422	1.00	1.00
Cephabacin F3 -6.475	1.00	1.00
Cephabacin F3 +6.485	1.00	6820.00
Cephabacin F3 -6.6495	1.00	1.00
Cephabacin F3 +6.6805	4697.67	1859.75
Cephabacin F3 -6.733	1.00	1.00
Cephabacin F3 +6.7469997	5033.33	3114.25
Cephabacin F3 -6.8105	1.00	1.00
Cephabacin F3 +6.823	7955.67	7793.25
Cephalosporin C	1.00	1.00
Cephalostatin 1	2133.67	1.00
Cerasin	1.00	1.00
Cer(d18:1/18:1(11Z))	1.00	1.00
Cer(d18:1/22:0)	1.00	1.00
Cer(d18:1/24:0)	1.00	1.00
Cer(d18:1/25:0)	1.00	1.00
Cer(d18:2/20:0)	1.00	1.00
CerP(d18:1/20:0)	26662.00	24931.25
Cerrosillin	1.00	1.00
CG 4305	1.00	1.00
CGP 28014	1.00	1.00
Chaksine	1.00	1.00
Chaksine -6.809	1.00	1.00
Chalcolactone	1.00	1.00
Chalconaringenin 2^-O-glucoside 4^-O-gentobioside	1.00	1.00
Chamanetin	1.00	1.00
Chamissonolide	9171.67	1.00
Chavicol	7446.00	4957.75
Chavicol +10.146	1.00	1.00
Chenodeoxycholic acid 3-sulfate	1.00	1.00
Chenodeoxycholic acid 3-sulfate -7.4361663	1.00	1.00
Chenodeoxycholic acid 3-sulfate -7.5486245	1.00	1.00
Chenodeoxycholic acid 3-sulfate -7.6351995	1.00	1.00
Chenodeoxycholic acid 3-sulfate -7.7619996	1.00	1.00
Chenodeoxycholic acid 3-sulfate -7.858273	1.00	1.00
Chenodeoxycholic acid 3-sulfate -8.198167	1.00	1.00
Chenodeoxycholic acid 3-sulfate -8.2518	1.00	1.00
Chenodeoxycholic acid 3-sulfate -8.261	1.00	1.00
Chenodeoxycholic acid 3-sulfate -8.3376665	1.00	1.00
Chloral hydrate	1.00	1.00
Chloraminophenamide	1.00	1.00
Chlorate	8653.33	10786.75
Chlordecone	1.00	1.00
Chlordecone -0.8825	1.00	1.00
Chlordiazepoxide	7003.67	1.00
Chlorethoxyfos	59616.00	44385.00
Chlorfensulphide	1.00	3774.25
Chlorflavonin	1.00	1.00
Chlorhexidine	1.00	1.00
Chlorhexidine -3.395	1.00	1.00
Chlorhexidine -3.4520001	1.00	1.00
Chlormadinone acetate	1.00	1.00
Chlormadinone acetate -10.1145	1.00	1.00
Chlormadinone acetate -10.532	1.00	1.00
Chlormezanone	1.00	1.00
Chloroform	363799.00	325560.75
Chloromebuform	39270.33	37399.75
Chloromebuform +8.103	1.00	1.00
Chloromebuform +8.3107	26218.00	13759.50
Chloromebuform +8.424125	160562.33	202012.50
Chlorphoxim	1.00	1.00
Chlorpyrifos-methyl	1.00	1.00
Chlorquinaldol	1.00	1.00
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	1.00	1.00
cholesta-5,7,8(14),22E-tetraen-3-one	4421.33	1.00
cholesterol sulfate	1.00	1.00
cholesteryl beta-D-glucoside	21610.00	17228.75
Cholic acid glucuronide	1.00	5229.75
Cholic acid glucuronide +6.165	1.00	2678.75
Cholic acid glucuronide +6.2195	1.00	7589.75
Cholic acid glucuronide -6.616	1.00	1.00
Cholic acid glucuronide +6.723	1.00	1.00
Cholic acid glucuronide +6.947333	1.00	5492.00
Cholic acid glucuronide +6.954	1.00	1.00
Cholic acid glucuronide +7.535	1.00	1.00
Cholic acid glucuronide +7.728	1.00	2610.00
Cholic acid glucuronide +7.9916	8998.33	16122.00
Cholic Acid Methyl Ester	37972.33	79522.25
Cholic Acid Methyl Ester +6.1785	106520.00	1.00
Choline	1.00	14474.25
Choline sulfate	1.00	6493.50
Choline sulfate +1.175	3271.33	1.00
Chorismic acid	2397.33	1.00
Chrysanthellin A	1.00	32619.75
CI Acid Orange 20	1.00	11948.25
CI Acid Orange 3	1.00	1.00
CI Acid Orange 3 -3.857	1.00	1.00
Cichoriin	1.00	1.00
Cichoriin +1.198	1.00	4376.00
Cichoriin +1.365	9769.67	1.00
Cichorine	1.00	1.00
ciclopirox	1.00	24269.75
Cilastatin	2499.00	1.00
Cilazapril	1.00	3088.00
Cilazapril +6.031	6558.00	1.00
Cilazapril +6.283	1.00	4139.25
Cimetidine	4610.00	1.00
Cimetidine +1.621	1.00	1.00
Cimicifugoside	1.00	1.00
Cimifugin	1.00	1.00
Cinchonidinone	1.00	10199.75
Cinchonidinone +6.263	1.00	20679.75
Cinnamaldehyde	4957.33	1.00
Cinnamodial	1.00	1.00
Cinnamodial +5.355	1.00	3526.75
Cinncassiol C1	1.00	1.00
Cinncassiol C1 +4.61	1.00	1.00
Cinncassiol C3	1.00	1.00
Cinncassiol E	1.00	1.00
Cinncassiol E +4.609	1.00	1.00
Cinobufagin	1.00	37056.25
Cinobufagin +8.272	1.00	25463.75
CI Pigment Red 3	1.00	1.00
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene	1.00	1.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	1.00	1.00
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine...	7280.00	14945.00
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate	1.00	1.00
cis-2-Carboxycyclohexyl-acetic acid	3680.33	17854.25
cis-2-Carboxycyclohexyl-acetic acid -1.39	1.00	1.00
cis-2-Carboxycyclohexyl-acetic acid -3.052	1.00	1.00
cis-2-Carboxycyclohexyl-acetic acid -3.314	1.00	1.00
cis-2-Carboxycyclohexyl-acetic acid -4.093	1.00	1.00
cis-2-Carboxycyclohexyl-acetic acid -4.457	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol +1.1255	1.00	7871.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol +3.3737...	16841.33	2873.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -3.704	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -4.058	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -4.1765...	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -4.245	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -4.337	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -4.478	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -4.7	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -5.009	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -5.152	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol +5.168	1.00	27041.75
cis-5,8,11,14-eicosatetraynoyl ethanolamide	6887.67	1.00
cis-5-Tetradecenoylcarnitine	70326.00	106336.75
cis-ACCP	1.00	1.00
cis-ACCP +1.161	6053.33	2878.25
cis-ACCP +1.333	2460.00	1.00
cis-ACCP -3.372	1.00	1.00
cis-Caryophyllene	1.00	12372.00
cis-Caryophyllene +10.13375	18724.00	13079.00
cis-Caryophyllene +10.214001	1.00	18817.50
cis-Caryophyllene +10.393535	74105.67	49077.00
cis-Caryophyllene +10.4187	132536.67	42657.00
cis-Caryophyllene +10.475666	146800.33	14188.50
cis-Caryophyllene +10.4766	27690.00	48653.50
cis-Caryophyllene +10.665	6548.00	1.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate	1.00	1.00
cis-Jasmone	1.00	1.00
Cisplatin	1.00	1.00
cis-stilbene oxide	1.00	1827.75
cis-stilbene oxide +1.62	4314.00	1.00
cis-Zeatin	47014.67	15716.75
cis-Zeatin +1.01	1.00	3020.50
cis-Zeatin +1.033	1.00	5768.50
cis-Zeatin +1.6605	48143.00	18703.50
cis-Zeatin +2.58825	287869.67	30158.50
cis-Zeatin +2.7300003	281957.67	1.00
cis-Zeatin +3.3613331	1.00	1.00
cis-Zeatin +3.393	1.00	1.00
cis-Zeatin +3.676875	714035.00	643983.25
Citalopram-N-Oxide	1.00	1.00
Citalopram-N-Oxide +3.71	1.00	2186.25
Citalopram propionic acid	1.00	1.00
Citrus Red No.2	1.00	8135.25
Citrus Red No.2 +1.3973333	11400.67	1.00
clemastine	1.00	1.00
Clitidine	1.00	1.00
Clobetasol propionate	1.00	1.00
Clofazimine	1.00	1.00
Clofazimine -7.8405004	1.00	1.00
Clofazimine -8.395	1.00	1.00
Clofazimine -8.446	1.00	1.00
Clonidine	1.00	1.00
CMP-N-acetylneuraminic acid	1.00	1.00
CMP-N-acetylneuraminic acid -3.3475	1.00	1.00
Cocaine	1.00	1.00
Cocaine +5.45	6123.33	1.00
Codeine	4787.67	1.00
Coformycin	1.00	1.00
Coformycin +1.13	4962.00	1.00
Coformycin -1.388	1.00	1.00
Coixinden B	1.00	1.00
Colchicine	1.00	1.00
Conchosin B	9091.00	41887.75
Confertifolin	28742.67	28543.75
Confertifolin +5.181	1.00	28741.00
Convalloside	1.00	1.00
Convicine	1.00	1.00
Convolamine	1.00	1.00
Convolamine +7.08	1.00	1.00
Convolvine	1.00	1.00
Copalliferol B	1.00	1.00
Copalliferol B -6.885	1.00	1.00
Coprine	1.00	4251.00
Coproporphyrin I	1.00	3276.25
Cordycepin	4944.00	1.00
Cordycepin +0.942	9097.67	12428.00
Coriose	1.00	4743.75
Coroglaucigenin-3-o-alpha-L-rhamnopyranoside	1.00	13997.00
Coronatine	1.00	1.00
Coronene	1.00	1.00
Cortancyl	1.00	1.00
Cortancyl +3.815	1.00	12383.25
Cortisol 21-acetate	1.00	1.00
Cortisol 21-acetate +1.03	1.00	1.00
Cortisone acetate	1.00	1.00
Corymbosin	1.00	19184.25
Corynantheal	1.00	1.00
Corynoline	1.00	1.00
Corynoline +1.401	1.00	1.00
Corynoline +3.259	1.00	1.00
Corynoline +4.642	1.00	1.00
Costatone	46190.33	10951.25
Costunolide	1.00	1.00
Cotylenin F	1.00	1.00
Coumarin	1.00	1.00
Coumatetralyl	1.00	1.00
Coumatetralyl +4.1685	1.00	1.00
Coumermic acid	1.00	1.00
CP 80633	1.00	1.00
CPA(18:0)	5183.33	1.00
CPA(18:1(9Z))	1.00	12276.75
CPA(18:1(9Z)) +6.085	1.00	14237.25
CPA(18:2(9Z,12Z)/0:0)	1.00	1.00
Crassin Acetate	21956.33	51216.25
Crassin Acetate +5.5943336	12377.33	26639.00
Creatinol-O-Phosphate	1.00	8636.25
Creatinol-O-Phosphate +3.33	1.00	17888.75
Credazine	12756.00	53286.75
Crenatine A	1.00	1.00
Crenatine A -6.9795	1.00	1.00
Crenatine A -7.0230002	1.00	1.00
Crenatine A -7.335	1.00	1.00
Crenatine A -7.627	1.00	1.00
Crossbyanol A	1.00	1.00
Crotamiton	1.00	1.00
Crotanecine	16082.67	17596.75
Crotanecine +1.003	1.00	1.00
Crotanecine +1.107	1.00	6450.75
Crotanecine +1.398	9039.67	21436.75
Crotanecine +3.196	1.00	1.00
Cryptophorine	10312.00	24655.25
Cucurbitacin D	1.00	1.00
Cucurbitacin D -9.012	1.00	1.00
Cucurbitacin F	1.00	1.00
Cucurbitacin S	13276.67	1.00
Cumene	1.00	1.00
Cyanidin	1.00	1.00
?-Cyano-3-Hydroxycinnamic Acid	1.00	1.00
Cyanotriphenylborate	1.00	1.00
Cyanotriphenylborate +1.6265	3812.00	4239.25
Cyanotriphenylborate +3.352	1.00	1.00
Cybutryne	1.00	1.00
Cyclamin	2004.67	10828.00
Cyclamin +9.122	1.00	12355.50
Cyclamin +9.238251	10477.00	28213.75
cyclandelate	1.00	1.00
cyclandelate -10.770583	1.00	1.00
Cycleanine	1.00	22543.50
Cycleanine +7.947	1.00	34799.25
Cycleanine +8.1725	1.00	15151.25
Cycleanine +8.24	1.00	6252.25
Cycleanine +8.301	1.00	22292.25
Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5...	1.00	1.00
Cyclizine	1.00	4710.50
Cycloheximide	1.00	1.00
Cycloheximide +4.036	1.00	1.00
cyclohexylammonium	1.00	10935.50
cyclohexylammonium +3.5630002	1.00	1.00
Cyclohexylsulfamate	1.00	2797.00
Cyclohexylsulfamate +1.402	1.00	1.00
Cyclohexylsulfamate -5.676	1.00	1.00
Cycluron	30106.33	1.00
Cycluron +1.63	30253.33	1.00
Cycluron +1.633	1.00	1.00
Cycluron +1.806	5170.33	1.00
Cycluron +3.003	1.00	1.00
Cyflufenamid	1.00	1.00
Cymarin	1.00	1.00
Cymarin -7.415	1.00	1.00
Cymarin -7.5345554	1.00	1.00
Cymather aldehyde methyl ester	7484.67	1.00
Cymather aldehyde methyl ester +5.223	1.00	1.00
Cymather aldehyde methyl ester +5.3450003	1.00	1.00
Cymather aldehyde methyl ester +5.4361253	9445.67	28520.50
Cymather aldehyde methyl ester +6.069	1.00	1.00
Cymather aldehyde methyl ester +7.562	1.00	1.00
Cymoxanil	1.00	1.00
Cymoxanil -1.3706666	1.00	1.00
Cymoxanil -1.3955	1.00	1.00
Cymoxanil -3.231	1.00	1.00
Cymoxanil +3.331	1.00	1887.75
Cynometrine	22025.33	1.00
Cyometrinil	1.00	6868.75
Cypendazole	8355.33	8469.75
Cyromazine	7507.00	9598.00
Cys Ala Val	1.00	16504.00
Cys Ala Val +3.575	1.00	1.00
Cys Cys Trp	1.00	1.00
Cys Gly Asn	1.00	1.00
Cys His Gly	1.00	1.00
Cys Lys Gly	1.00	1.00
Cys Lys His	1.00	1.00
Cys Lys His -4.942	1.00	1.00
Cys Lys His -5.8677497	1.00	1.00
Cys Lys His -6.1503334	1.00	1.00
Cys Lys His -6.286	1.00	1.00
Cys Phe Ala	5104.67	1.00
Cys Phe Ile	14953.67	1980.00
Cys Phe Ile +1.07	1.00	1.00
Cys Pro	1.00	1.00
Cys Pro +3.4285002	1.00	1.00
Cys Ser Ser	1.00	4581.00
Cys Thr His	1.00	1.00
Cys Thr Met	1.00	15715.25
Cys Trp Ala	1.00	2561.50
Cys Tyr	1.00	1.00
Cys Val Gly	37678.33	26415.25
Cytosine	1.00	1.00
Cytosine +1.022	1.00	2814.00
Cytosine +1.3966666	1.00	1.00
Cytosine +1.6193334	1.00	2253.25
DAHP	1.00	1.00
D-Alanyl-D-serine	1.00	15205.00
Dalpalatin	1.00	1.00
DAPT	1.00	1.00
Darlingine	9601.33	2818.75
Darlingine +1.395	1.00	1.00
Darlingine +3.074	1.00	21548.75
Darlingine +3.849	1.00	1.00
D-Aspartic acid	47474.00	54251.00
D-Aspartic acid +1.1485	1.00	3207.75
Dauricine	1.00	3614.00
Dauricine +6.7705	1.00	2286.00
Dauricine +8.084	1.00	3722.75
Dauricine +8.43	1.00	3294.75
Davidigenin	1.00	1.00
Davidigenin -7.777	1.00	1.00
D-Camphorsulfonate	1.00	10928.75
D-(+)-Cellobiose	28774.00	6616.25
d-Dethiobiotin	235584.33	22806.00
d-Dethiobiotin +2.931	16409.33	1.00
d-Dethiobiotin +3.954	1.00	1.00
Deacetyldiltiazem	1.00	1.00
Deacetylisoipecoside	1.00	3268.75
Deaminohydroxyblasticidin S	1.00	2771.00
Deazaflavin	1.00	1.00
Debrisoquine	1.00	14693.75
Debromoaplysiatoxin	1.00	8160.00
Debromoaplysiatoxin -11.81	1.00	1.00
Debromoaplysiatoxin -6.933286	1.00	1.00
Debromoaplysiatoxin +6.9469995	3216652.67	6066921.00
Debromoaplysiatoxin -7.816	1.00	1.00
Debromoaplysiatoxin -9.0436	1.00	1.00
Debromoaplysiatoxin -9.205714	1.00	1.00
Debromohymenialdisine	1.00	1.00
Debromohymenialdisine -1.6155	1.00	1.00
decanamide	20683.67	30630.50
Decanoyl m-Nitroaniline	1.00	1.00
Decanoyl m-Nitroaniline +4.687	6704.33	1.00
Decanoyl m-Nitroaniline +5.045	1.00	1.00
Decenedioic acid	15760.33	16756.25
Decenedioic acid +4.6705003	29783.67	20339.00
decoquinate	8272.67	1.00
Decoside	1.00	1.00
Decoside -6.619	1.00	1.00
Decoside -6.717	1.00	1.00
Decoside -7.39275	1.00	1.00
Decoside -7.8605003	1.00	1.00
Decoside -7.888	1.00	1.00
Decoside -7.9797506	1.00	1.00
Decoside -8.338	1.00	1.00
Deethylatrazine	1.00	1.00
Deethylatrazine -4.721	1.00	1.00
Deethylatrazine -4.951	1.00	1.00
Dehydroabietamide	14082.67	1.00
Dehydroandrosterone	1.00	2126.75
Dehydrocycloxanthohumol hydrate	4065.33	1.00
Dehydrodolineone	1.00	1.00
Dehydrofalcarinol	1.00	101894.25
Dehydrofalcarinone	1.00	1.00
Dehydrofalcarinone +4.764	16455.33	1.00
Dehydroisoandrosterone 3-glucuronide	1.00	1.00
Dehydrongaione	1.00	1.00
Dehydronimodipine	1.00	1.00
Dehydronimodipine -10.912666	1.00	1.00
Dehydrotestosterone	1.00	1.00
Dehydrotoxicarol	1.00	1.00
Deidaclin	1.00	1.00
Deisopropylhydroxyatrazine	1.00	4766.75
Delcorine	1.00	1.00
Delcosine	1.00	1.00
Delphinidin 3-(2^^-galloylgalactoside)	1.00	1.00
Demethylazelastine	1.00	1.00
Demethylcitalopram	149516.33	1.00
Demethylsulochrin	1.00	1.00
Demeton-S-methyl	1.00	1.00
Deoxy-5-methylcytidylate	1.00	1.00
Deoxyanisatin	1.00	1.00
Deoxyanisatin +5.052	1.00	1.00
Deoxycytidine	1.00	1.00
Deoxycytosine	1.00	1.00
Deoxygedunol Acetate	1.00	1.00
Deoxygomisin A	1.00	1.00
Deoxygomisin A -5.8764	1.00	1.00
Deoxygomisin A -6.42	1.00	1.00
Deoxygomisin A -7.4995003	1.00	1.00
Deoxyguanidinoproclavaminic acid	65745.00	50886.25
Deoxyguanidinoproclavaminic acid -1.128	1.00	1.00
Deoxylapachol	1.00	1.00
Deoxymiroestrol	31955.00	33926.25
Deoxymiroestrol +11.6095	1.00	1.00
Deoxymiroestrol +11.6236	6456.00	11019.50
Deoxymiroestrol +11.666751	195727.67	194909.25
Deoxymiroestrol +11.729811	167136.67	171442.00
Deoxysappanone B Trimethyl Ether	1.00	1.00
Deoxythymidine triphosphate (dTTP)	1.00	1.00
Depdecin	1.00	26570.50
Depdecin +3.59	1.00	1.00
Derricin	12310.00	19511.50
Derricin +5.4273334	181774.00	373121.00
D-erythro-Sphingosine C-15	1.00	1.00
Desacetylcolchicine	1.00	1.00
Desacetylcolchicine +5.305	1.00	1.00
Desacetylvinblastine	1.00	1.00
Descarboethoxyloratadine	1.00	1.00
Descarboethoxyloratadine +5.211	1.00	3767.50
Descinolone acetonide	1.00	1.00
Desethylchloroquine	1.00	1.00
desethyletomidate	27407.33	1.00
desethyletomidate +4.548	1.00	6639.25
(±)-Desethylhydroxychloroquine	1.00	11894.00
Desethyl-N-acetylprocainamide	3971.33	1.00
Desethyl-N-acetylprocainamide +1.306	1.00	1.00
Desflurane	55903.00	76224.75
Desglucomusennin	1.00	7273.25
Desmethyl BMPN-benzoic acid glucuronide	1.00	1.00
Desmethyldescarbamoylnovobiocin	1.00	1.00
Desmethyldescarbamoylnovobiocin +5.028	1.00	7226.25
Desmethyldescarbamoylnovobiocin -7.791	1.00	1.00
Desmethyldeschlorobenzoyl Indomethacin	1.00	1.00
Desmethyldeschlorobenzoyl Indomethacin +3.463	1.00	1488.00
Desmethyl fluvoxamine	1.00	1.00
Desmethyl fluvoxamine +5.174333	1.00	1694.25
Desmethylloperamide	1.00	1.00
Desmethylnaproxen-6-O-sulfate	1.00	1.00
Desmethylnizatidine	1.00	1.00
desmethylnortriptyline glucuronide	1.00	1.00
desmethylnortriptyline glucuronide -11.437	1.00	1.00
desmethylnortriptyline glucuronide -11.509001	1.00	1.00
desmethylnortriptyline glucuronide -11.5342	1.00	1.00
desmethylnortriptyline glucuronide -11.651071	1.00	1.00
Desmethylondansetron	11147.67	64512.75
Desmethylpirenzepine	10818.67	31290.75
Desmethylpirenzepine +3.517	1.00	1.00
Desmethylpirenzepine +4.014	1.00	1.00
Desmethylpirenzepine +4.692	1.00	4054.00
Desmethylpirenzepine +6.389	4153.00	1.00
Desmethylpirenzepine +6.45	1.00	9835.75
Desmethylranitidine	1.00	2662.50
Desmethylsufentanil	1.00	1.00
Desmethylsufentanil -3.997	1.00	1.00
Desmethylsufentanil -4.32	1.00	1.00
Desmethyltrimeprazine	1.00	1.00
Desmethyltrimeprazine +1.392	1.00	1.00
Desmethyltrimipramine glucuronide	1.00	6526.50
Desmethyltrimipramine glucuronide -6.806	1.00	1.00
Desmethyltrimipramine glucuronide -6.903	1.00	1.00
Desmetryn	1.00	1.00
Desmetryn +1.628	1.00	2669.00
Desomorphine	32205.00	32908.75
Desomorphine +1.398	1.00	1.00
Desomorphine +4.215	1.00	1.00
dexbrompheniramine	1.00	1.00
dexbrompheniramine -1.06	1.00	1.00
Dexfenfluramine	1.00	1.00
Dexmedetomidine	1.00	1.00
Dexnorfenfluramine	1.00	1.00
Dexnorfenfluramine +3.889	1.00	1.00
dexpanthenol	1.00	1.00
dexpanthenol +1.6205001	1.00	1.00
Dextromethorphan	3798.67	10026.25
Dextromethorphan +3.327	9350.67	1.00
Dextrorphan sulfate	1.00	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride	132051.00	15426.50
D-Fructofuranose 1,2^:2,3^-dianhydride -1.038	1.00	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride -1.056	1.00	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride +1.0755	45506.33	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride +1.1516249	85247.67	65857.00
D-Fructofuranose 1,2^:2,3^-dianhydride +1.2064999	72630.00	44142.25
D-Fructofuranose 1,2^:2,3^-dianhydride +1.2639999	7066.00	34438.25
D-Fructofuranose 1,2^:2,3^-dianhydride +1.3396667	171061.33	64108.25
D-Fructofuranose 1,2^:2,3^-dianhydride -1.38625	1.00	1.00
D-Fructuronic acid	1.00	1.00
D-Fructuronic acid +0.9292	8323.33	1308.00
D-Fuconate	1.00	1.00
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	1.00	41927.50
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) -13.109749	1.00	1.00
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) +13.118199	6232.67	23573.75
DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	5982.00	2450.25
DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1.00	1.00
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	153159.33	1169469.25
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +13.606501	1.00	7334.50
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] +13.735144	118794.33	525502.00
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	1.00	69590.75
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	1.00	1.00
DG(24:1(15Z)/20:0/0:0)	1.00	1.00
DG(24:1(15Z)/20:0/0:0) +0.90375	7873.33	1.00
D-Gal ? 1-6D-Gal ? 1-6D-Glucose	1.00	1.00
D-Galacturonolactone	1.00	1.00
?-D-Glucopyranosiduronic acid, 2-(1H-indol-4-yloxy)-1-[[(1-m...	24165.67	1.00
D-Glucosamine 1-phosphate	3344.33	1.00
D-Glucose oxime	1.00	12922.00
D-Glucosyldihydrosphingosine	1.00	2702.50
D-Glucosyldihydrosphingosine +14.052	1.00	1.00
D-Glutamine	1.00	9058.50
D-Glutamine +0.929	1.00	64244.75
DHOAA(AcO)-Val-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	2966.00	1.00
D-?-Hydroxyglutaric acid	35572.33	22531.25
Di(2-ethylhexyl) adipate	208526.33	231644.75
Di(2-ethylhexyl) adipate +14.086	1.00	1.00
Diacetyl	276480.67	101321.50
Diacetyl +1.0835	25633.67	1.00
Diacetyl +1.386	135358.00	1.00
Diacetyl -1.388	1.00	1.00
Diacetylaminoazotoluene	1.00	1.00
diacylglycerol kinase inhibitor i	1.00	1.00
Diallyl Trisulfide	1.00	1.00
Diamidafos	1.00	1252.00
Dibekacin	14418.00	15617.50
Dibekacin +6.326	1.00	1.00
Dibenz[c,h]acridine	1.00	7405.00
Dibenz[c,h]acridine +4.518	1.00	5594.25
Dibenzo[e,l]pyrene	1.00	1.00
DIBOA	1.00	1.00
DIBOA +0.925	1.00	2610.75
DIBOA +3.701	1.00	11460.00
Dibutyl phthalate	1.00	1.00
Dibutyl succinate	1.00	1.00
Dibutyl succinate +1.612	5529.67	1.00
Dibutyl succinate -5.2425003	1.00	1.00
Dibutyl succinate -5.2720003	1.00	1.00
Dibutyl succinate +5.283	1.00	17570.75
Dibutyl succinate -8.121	1.00	1.00
Dibutyl succinate +8.201	1.00	1.00
Dibutyl succinate -8.23275	1.00	1.00
Dicamba	85500.67	1.00
Dicamba +0.8355	1.00	1.00
Dichlormid	1.00	1.00
Dichloromethane	10709.00	7052.75
Dicyclohexyl phthalate	44210.67	45650.50
Dicyclohexyl phthalate +3.646	2010.00	1.00
Dicyclohexyl phthalate -4.953	1.00	1.00
Didanosine	2495.33	1.00
Didanosine +1.013	1.00	1.00
Didanosine -1.3829999	1.00	1.00
Didecyldimethylammonium	1.00	1.00
Di-demethylcitalopram	39021.67	1.00
Di-demethylcitalopram +3.652	1.00	1.00
Didesmethylloperamide	13102.00	14124.25
Didesmethylpheniramine	5254.33	1.00
Didesmethylpheniramine +2.198	6144.67	1.00
Didesmethyltrimeprazine	1.00	1.00
Didrovaltratum	1.00	1.00
Dienestrol	1.00	1.00
Dienestrol +3.828	1.00	3893.25
Diethatyl-ethyl	1.00	1.00
Diethofencarb	1.00	1.00
Diethofencarb +1.165	1.00	1.00
Diethofencarb -6.3022504	1.00	1.00
Diethofencarb -6.3619995	1.00	1.00
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate	1.00	1.00
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +1.021	1.00	1.00
Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate +2.999	1.00	1.00
Diethylcarbamazine	8297.00	8968.75
Diethylcarbamazine +4.906	1.00	1.00
Diethylene glycol	65959.00	164362.50
Diethylene glycol +10.250601	1.00	9502.75
Diethylene glycol +1.626	7321.67	1.00
Diethylene glycol +1.6293334	1.00	1.00
Diethylene glycol +1.648	1.00	44884.25
Diethylene glycol +1.6625556	54439.67	213941.75
Diethylene glycol +3.018	1.00	2455.00
Diethylene glycol +6.4227505	14299.33	10721.00
Diethyl Oxalpropionate	7513.33	1.00
Diethyl Oxalpropionate +3.306	1.00	1.00
Diethyl Oxalpropionate -3.4299998	1.00	1.00
Diethyl Oxalpropionate +3.466	5979.67	1.00
Diethyl Oxalpropionate -3.622	1.00	1.00
Diethyl Oxalpropionate -3.8175	1.00	1.00
Diethyl Oxalpropionate -4.076	1.00	1.00
Diethyl sulfate	1.00	1.00
diflorasone diacetate	1.00	1.00
Diflubenzuron	1.00	1.00
Diflubenzuron -4.108	1.00	1.00
Diflunisal	7788.67	1.00
digitogenin	1.00	1.00
digitogenin -9.965	1.00	1.00
digitonin	1.00	2468.00
Digitoxic acid	1.00	1.00
Digitoxigenin	1.00	1.00
Digoxigenin bisdigitoxoside	1.00	1.00
Digoxigenin bisdigitoxoside -8.157	1.00	1.00
Dihomomethionine	1.00	1.00
Dihomomethionine +1.401	1.00	1.00
Dihomomethionine +2.32	1.00	1.00
Dihydro-7-Desacetyldeoxygedunin	1.00	1.00
Dihydroaceanthrylene	1.00	1.00
Dihydroaceanthrylene +1.363	11699.00	1.00
Dihydroartemisinin	1.00	1.00
Dihydroartemisinin +5.1182	1.00	1.00
Dihydrocelastrol	1.00	1.00
Dihydrocelastrol -9.057	1.00	1.00
Dihydrocelastryl Diacetate	1.00	1.00
Dihydroceramide C2	1.00	1.00
dihydro-?-ergocryptine	8304.33	16101.25
Dihydrogambogic Acid	1.00	1.00
Dihydrogedunin	21793.00	15306.00
Dihydrojasmonic Acid, Methyl Ester	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester +6.237	1.00	1.00
Dihydrolevobunolol	334855.00	493595.50
Dihydrolevobunolol +8.8165	156995.33	4511.25
Dihydrolevobunolol +9.358	1.00	1.00
Dihydrolipoamide	1.00	1.00
Dihydrolysergic acid amide	1.00	1.00
Dihydrolysergic acid amide -8.835	1.00	1.00
Dihydromacarpine	1.00	1.00
Dihydromikanolide	1.00	1.00
dihydrophaseic acid 4-O-beta-D-glucoside	1.00	1.00
Dihydrotetrabenazine	1.00	1.00
Dihydroxycarteolol M1	10057.00	2238.75
Dihydroxycarteolol M1 -5.4038	1.00	1.00
Dihydroxycarteolol M1 -5.468	1.00	1.00
Dihydroxycarteolol M1 -5.783556	1.00	1.00
Dihydroxycarteolol M1 -5.8457994	1.00	1.00
Dihydroxycarteolol M2	1.00	1.00
Dihydroxycarteolol M2 +3.293	1.00	11962.25
Dihydroxycarteolol M2 +3.8596668	8582.67	1.00
Dihydroxycarteolol M2 +4.1610003	1.00	1.00
Dihydroxycarteolol M2 +4.2454004	1.00	1.00
Dihydroxycarteolol M2 +4.6664	1.00	1.00
Dihydroxycarteolol M2 +4.86125	1.00	1.00
Dihydroxycarteolol M2 +5.418454	20427.67	46122.25
Dihydroxycarteolol M2 +5.4789996	1.00	4315.25
Dihydroxycarteolol M2 +5.7805557	18835.33	19045.00
Dihydroxycarteolol M2 +5.799	1.00	18758.50
Dihydroxycarteolol M2 +5.8594284	1.00	6133.00
Dihydroxymelphalan	1.00	1.00
Dihydroxymelphalan +1.393	4231.33	6581.50
Dihydroxymelphalan +1.6185	1.00	1660.00
Dihydroxymelphalan +3.331	1.00	1.00
Dihydroxymelphalan +3.58	1.00	1.00
Dihydroxymelphalan +4.1525	1.00	1.00
Dihydroxymelphalan +4.6635	1.00	5411.75
Dihydrozeatin riboside	1.00	1.00
Dihydrozeatin riboside +1.221	1.00	1.00
Dihydrozeatin riboside +1.4022	3082.00	13831.25
Diisobutyl phthalate	226726.67	218270.25
Diisobutyl phthalate +1.013	1.00	1.00
Diisobutyl phthalate +10.996666	1.00	1351.75
Diisobutyl phthalate +11.980688	387188.00	383756.50
Diisobutyl phthalate +12.048	1.00	1.00
Diisobutyl phthalate -8.981	1.00	1.00
Diisopropyl phosphate	152994.33	154638.75
Diisopropyl phosphate +1.3920001	1.00	3617.25
Diisopropyl phthalate	1.00	12094.25
Diisopropyl sulfate	1.00	1.00
Diisopropyl sulfate -3.178	1.00	1.00
Dikegulac	1.00	1.00
Dikegulac +2.981	1.00	9909.75
Dikegulac +3.476	1.00	3407.50
Dikegulac +3.815	1.00	1.00
Dillenetin 3,7-diglucoside	2390.67	1.00
Dillenetin 5-glucoside-7-glucuronide	20609.33	1.00
Dimepiperate	1.00	1.00
Dimepiperate +1.6185	1.00	1.00
Dimepiperate +1.623	1.00	5244.25
Dimepiperate +3.186	1.00	1.00
Dimethachlor	1.00	57751.50
Dimethachlor +5.565	1.00	1.00
Dimethametryn	1.00	4040.50
Dimethoate	8183.33	1.00
Dimethoxane	1.00	7851.50
Dimethoxane +1.395	1.00	1.00
Dimethoxane -5.4481	1.00	1.00
Dimethoxane -5.862	1.00	1.00
Dimethylaminoethyl reserpilinate	1.00	11761.50
Dimethylaminoethyl reserpilinate -3.413	1.00	1.00
Dimethylaminoethyl reserpilinate +5.481	1.00	1.00
Dimethylaminoethyl reserpilinate -6.57725	1.00	1.00
Dimethylaminoethyl reserpilinate +6.585833	1.00	4606.25
Dimethylaminoethyl reserpilinate +9.182	1.00	3000.25
Dimethylenetriurea	1.00	3352.75
Dimethyl selenide	1.00	1.00
Dimethyl suberate	1.00	7649.25
Dimethyl suberate -6.9046154	1.00	1.00
Dimethyl sulfone	1.00	1.00
dIMP	1.00	1.00
Dinex	1.00	7029.25
Di-n-hexyl phthalate	1.00	1.00
Di-n-hexyl phthalate -9.634	1.00	1.00
Dinobuton	1.00	1.00
Dinoflagellate luciferin	5541.33	35611.50
Dinoflagellate luciferin +6.824	1.00	8992.50
Dinoflagellate luciferin -6.9	1.00	1.00
Dinoflagellate luciferin +6.978	1.00	8165.75
Dinoflagellate luciferin +8.72225	2431.67	12352.75
Dinoflagellate luciferin -8.76325	1.00	1.00
Dinoflagellate luciferin +8.779167	21686.67	24422.00
Dinoflagellate luciferin +8.842	5261.00	13199.25
Dinoflagellate luciferin +8.8846245	33298.00	42545.50
Dinoflagellate luciferin +9.224	1.00	2241.00
Dinoterb	1.00	1.00
Dinoterb -11.046	1.00	1.00
Di-n-propylphthalate	20686.00	18711.75
Di-n-propylphthalate +1.005	7671.33	1.00
Dioscin	1.00	1.00
Dioscorine	1.00	17533.75
Dioxacarb	3202.67	5676.00
Dioxacarb +3.3277502	1.00	1.00
Dioxacarb +3.646	5213.67	1.00
Dioxacarb +4.915	1.00	23252.00
Dioxacarb +4.9673333	1.00	34282.75
Diphenoxylic acid(DPA)	1.00	21652.00
Diphenylcarbazide	6873.67	209593.75
Diphenylcarbazide +9.112	1.00	1.00
Diphenylcarbazide +9.222143	4996.67	1313.50
Diphenylmethylphosphine	1.00	1.00
Diphenylmethylphosphine oxide	1.00	1.00
Diphenylphosphine Acid	1.00	1.00
Diphenylphosphine isopropyl ester	1.00	1.00
Dipyrocetyl	1.00	1409.00
Discadenine	1.00	1.00
Discadenine +4.283	5478.00	1.00
Discadenine +5.326	1.00	1.00
Disinomenine	1.00	1615.50
Disinomenine +6.344	1.00	1.00
Disperse Blue 1	1.00	1.00
Disperse Blue 1 +3.152	1.00	1.00
Disperse Blue 1 +4.783	3684.33	1.00
Distemonanthin	1.00	1.00
Disul	1.00	1.00
Disulfoton	1.00	1.00
Diterpenoid EF-D	1.00	1.00
Diterpenoid EF-D +7.712	8250.00	1.00
Diterpenoid EF-D -8.45	1.00	1.00
Diterpenoid EF-D +8.957	6229.67	1.00
Diterpenoid EF-D -9.007	1.00	1.00
Dithianon	1.00	1.00
Diuron	1.00	1.00
Diuron -0.961	1.00	1.00
Divinylchlorophyll a	32717.00	54000.75
Divinylchlorophyll a +12.409667	6049.00	3672.50
Divinylchlorophyll a +12.503	1.00	1.00
DL-3-amino-isobutanoic acid	1.00	49813.75
DL-8-hydroxy stearic acid	1.00	1.00
DL-8-hydroxy stearic acid +13.439	1.00	1463.25
DL-Methionine sulfoxide	1.00	1.00
DL-Methionine sulfoxide +1.398	8259.67	1.00
D-Lombricine	1.00	1.00
DL-Serine	9158.00	23771.00
Dl-tetrahydropalmatine	1.00	1.00
D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid	1.00	1.00
DMPO	1624436.33	1399387.75
DMPO +1.3947142	26473.67	1932.25
DMPO +3.407	7563.00	1.00
DMPO +4.48575	232079.33	212897.50
DMPO +4.5585003	10678.67	1.00
DMXB-A	719559.33	56309.25
DMXB-A +4.209	1.00	1.00
D-(+)-Neopterin	1.00	3053.75
D-(+)-Neopterin -1.386	1.00	1.00
D-(+)-Neopterin -7.167	1.00	1.00
Docosahexaenoyl Glycine	1.00	1.00
Docosahexaenoyl Glycine +5.3900003	1.00	12618.50
Docosahexaenoyl Serotonin	109580.00	36856.00
Docosahexaenoyl Serotonin +6.1330004	1.00	1.00
Docosahexaenoyl Serotonin +6.236	10162.00	19393.00
Docosahexaenoyl Serotonin +9.9995	1.00	1.00
Docosanedioic acid	48864.67	36611.50
Dodeca-2(e),4(e)-dienoic acid isobutylamide	1.00	1.00
Dodeca-2(e),4(e)-dienoic acid isobutylamide +8.194	1.00	1.00
dodecanamide	36643.67	35728.50
dodecanamide +11.14775	1.00	9186.00
Doisynoestrol	1.00	1.00
Doisynoestrol -10.012501	1.00	1.00
Doisynoestrol +6.132	9999.67	1.00
Doisynoestrol +6.63	6191.67	1.00
Doisynoestrol +6.968	3298.00	1.00
Doisynoestrol -9.861929	1.00	1.00
Doisynoestrol -9.878401	1.00	1.00
Dolasetron	2332.33	1.00
Dolastatin 16	1.00	1.00
dolichodial	1.00	1.00
Dolichotheline	11258.33	49998.25
Dolichyl b-D-glucosyl phosphate	1.00	1.00
Dolichyl b-D-glucosyl phosphate -10.616	1.00	1.00
Dolichyl diphosphate	1.00	1.00
dolichyl D-xylosyl phosphates	6963.00	8104.25
dolichyl D-xylosyl phosphates +12.33	1.00	1.00
dolichyl D-xylosyl phosphates +12.339667	12302.33	9637.00
Domoic acid	1.00	2515.50
Dopamine 3-O-sulfate	2674.33	1.00
Dopamine 3-O-sulfate -3.3715	1.00	1.00
Dopamine quinone	1.00	1.00
Dopamine quinone +1.625	1.00	1.00
Dorzolamide	1.00	1.00
Dorzolamide -4.452	1.00	1.00
Dothistromin	1.00	1.00
Dothistromin -4.458	1.00	1.00
Doxapram	1.00	2479.50
Doxapram -10.004	1.00	1.00
Doxepin	4219.67	20788.25
Doxepin +5.049	1.00	49595.00
D-Pantethine	1938.67	1.00
D-Phenyllactic acid	6713.00	1.00
D-Phenyllactic acid +1.635	1.00	1.00
D-Phenyllactic acid -5.2626	1.00	1.00
D-Phenyllactic acid +5.6229997	12171.33	1338.75
D-Phe-Pro-Arg-CH2Cl	13337.67	31970.50
D-Phe-Pro-Arg-CH2Cl +6.48	31639.00	34801.75
D-Phe-Pro-Arg-CH2Cl +9.0835	2647.00	1.00
D-Phe-Pro-Arg-CH2Cl +9.233666	1.00	14447.75
DPPP	1.00	1.00
DPPP -3.193	1.00	1.00
Dracorubin	14491.67	3163.50
dTDP-D-glucuronate	128903.33	23724.25
dTDP-D-glucuronate +6.7235556	192262.00	32772.25
D-Thevetose	4228.00	9163.75
D-Thevetose +1.554	1.00	1.00
D-Threitol	1.00	1.00
D-threo-3-Methylmalate	96534.33	86672.50
dTMP	1.00	1.00
Dubinidine	12533.33	21658.75
Dulcin	6324.67	1.00
D-Urobilin	1.00	1.00
D-Urobilinogen	1.00	1.00
dXTP	1.00	1.00
D-Xylulose	250748.33	456841.75
D-Xylulose +1.0436001	30320.33	1.00
D-Xylulose +1.05775	8215.67	28669.00
Dyphylline	1.00	17644.50
Dyphylline +1.091	1.00	22022.75
Dyphylline +1.18	1.00	57000.00
Dyphylline +1.191	1.00	1.00
Dyphylline +1.308	1.00	1.00
(E)-2-Butenyl-4-methyl-threonine	1.00	13361.50
(E)-2-Butenyl-4-methyl-threonine +1.139	1.00	1.00
(E)-2-Butenyl-4-methyl-threonine +12.3155	1.00	1763.50
(E)-2-Butenyl-4-methyl-threonine +1.3983332	1.00	1.00
(E)-2-Butenyl-4-methyl-threonine +1.624	1.00	2661.00
(E)-2-Butenyl-4-methyl-threonine +4.851	1.00	1.00
(E)-2-Butenyl-4-methyl-threonine -5.175	1.00	1.00
(E)-2-Butenyl-4-methyl-threonine +5.195313	134799.33	153160.00
(E)-2-(Methoxycarbonylmethyl)butenedioate	1.00	1.00
(E)-2-(Methoxycarbonylmethyl)butenedioate -1.3876667	1.00	1.00
(E)-3-methylglutaconic acid	1.00	1.00
(E)-3-methylglutaconic acid +0.971125	7356.00	19081.25
(E)-3-methylglutaconic acid +1.3973335	1.00	1847.50
(E)-3-methylglutaconic acid +1.6255	4505.00	1.00
(E)-4-stilbenol	1.00	7006.25
E-64	26635.00	25969.25
E-64 +3.1585002	2522.00	5397.25
E-64c	1.00	1.00
(+)-Echinoisoflavanone	1.00	8077.75
Echitovenine	16653.33	18397.75
Echitovenine -7.5	1.00	1.00
Echitovenine +7.57075	12039.33	12236.75
Echlomezole	1.00	1.00
Ecklonialactone A	1.00	1.00
Ecklonialactone A +4.672	1.00	1.00
Ectocarpen	1.00	1.00
edetate	15183.00	39659.00
edetate -0.961	1.00	1.00
Edoxudine	8480.00	15208.25
Eicosapentaenoic Acid ethyl ester	1.00	1.00
Elaeokanine C	1.00	8013.50
Elaeokanine C +5.514	3963.33	1.00
Elaeokanine C +7.209	1.00	1.00
Elastin	21641.00	1.00
Elatin(flavonoid)	1.00	1.00
Ellagic acid	1.00	1.00
emedastine	1.00	22837.75
Enalaprilat	1.00	1.00
Enantiomultijugin	1.00	1.00
Endomorphin-1	1.00	5968.00
Endothal	1.00	4818.75
Endothal -1.188	1.00	1.00
Endothal -1.386	1.00	1.00
Endothal -1.388	1.00	1.00
Endothal -1.6163334	1.00	1.00
Endothal -1.617	1.00	1.00
Endothal -4.026	1.00	1.00
Endothal -5.164	1.00	1.00
Enicoflavine	17122.33	1.00
Enicoflavine +1.4085001	1.00	16077.50
Enicoflavine +1.622	1.00	1.00
Enicoflavine +1.666	1.00	1.00
Enicoflavine +1.7590001	1.00	1.00
Enicoflavine +3.3235	1.00	1.00
Enicoflavine -9.710251	1.00	1.00
ent-15-epi-15-F2c-IsoP	1.00	1.00
ent-8-epi-15-D2c-IsoP	1.00	1.00
ent-8-iso Prostaglandin F2?	1.00	1.00
ent-8-iso Prostaglandin F2? +7.692	1.00	1.00
Entacapone	1.00	1.00
Entacapone -4.6489997	1.00	1.00
ent-Corey PG-Lactone Diol	1.00	1.00
ent-Corey PG-Lactone Diol +4.969375	37648.67	11750.00
ent-Corey PG-Lactone Diol +5.355833	1.00	18221.75
ent-Corey PG-Lactone Diol +5.711	1.00	4054.00
ent-Corey PG-Lactone Diol +6.59	1.00	5143.25
ent-Epifisetinidol-4beta-ol	1.00	1.00
ent-Epifisetinidol-4beta-ol -5.232	1.00	1.00
Eosin	1.00	1.00
EPA	1.00	1.00
EPA (d5)	3171.00	5115.00
Ephedroxane	1.00	1.00
Epibatidine	1.00	6125.25
Epibatidine +1.186	1.00	1.00
Epibatidine +3.444	1.00	1.00
Epibatidine +5.808	3079.33	1.00
Epicatechin 5,7,3^-trimethyl ether	1.00	3310.00
Epigallocatechin	1.00	1.00
Epigallocatechin 3-O-p-coumarate	1.00	1.00
Epigallocatechin -4.5306	1.00	1.00
Epigallocatechin-(4beta-8)-epicatechin-3-O-gallate ester	1.00	1.00
epinephryl borate opthalmic solution	2592.67	1.00
Epinine	1.00	4613.00
Epithienamycin B	1.00	43457.00
Epithienamycin D	1.00	1.00
epi-Tulipinolide diepoxide	1.00	1.00
epi-Tulipinolide diepoxide +0.937	320710.33	54639.75
epi-Tulipinolide diepoxide +4.98	1.00	1.00
epi-Tulipinolide diepoxide +6.958	1.00	1.00
Epothilone A	1.00	1.00
Epoxycandidone	1.00	1.00
epsilon-Rhodomycin T	2957.33	1.00
Equilin sulfate	1.00	1.00
Equilin sulfate -1.064	1.00	1.00
Equilin sulfate +1.336	1.00	1.00
Equilin sulfate +1.629	1.00	1.00
Ergine	1.00	1.00
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-	1.00	4762.50
Ergoline-1-carboxaldehyde, 8-(hydroxymethyl)-10-methoxy-6-me...	1.00	1.00
Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)-	1.00	1.00
Ergoline-8-methanol, 10-methoxy-, (8b)-	1.00	1.00
Ergoline-8-methanol, 10-methoxy-, (8b)- -6.6074996	1.00	1.00
Erioflorin methacrylate	1.00	2818.50
Erioflorin methacrylate +1.39	1.00	1847.25
Erioflorin methacrylate +1.618	1.00	1.00
Erioflorin methacrylate -4.78675	1.00	1.00
Erioflorin methacrylate -6.391	1.00	1.00
Erioflorin methacrylate -7.404	1.00	1.00
Eriosemaone C	1.00	1.00
Eriosemaone C -7.76575	1.00	1.00
Erosnin	1.00	1.00
Erosone	1.00	1.00
Erosone -1.384	1.00	1.00
Erosone -1.607	1.00	1.00
Erosone -1.612	1.00	1.00
Eruberin A	1.00	1.00
Eruberin C	1.00	1.00
Erybraedin E	17416.33	1.00
(-)-erythro-(2R,3R)-Dihydroxybutylamide	48121.00	74538.50
(-)-erythro-(2R,3R)-Dihydroxybutylamide +1.182	4387.33	1.00
Erythrohydrobupropion	1.00	57892.75
Erythrohydrobupropion +6.5915003	1.00	294390.00
?-Erythroidine	1.00	1.00
Erythromycin estolate	1.00	6569.00
Erythroxanthin sulfate	1.00	1.00
Escitalopram	79765.33	1.00
Eseridine	1.00	1.00
Esmeraldic acid	1.00	1.00
Esmolol	1.00	1.00
Esmolol +3.1445	1.00	1909.75
Esprocarb	1.00	1.00
Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate	1.00	1.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate	4697.33	1.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate +10....	1.00	1.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate +10....	12395.33	5130.25
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate +10....	1.00	5303.75
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate +10....	1.00	1.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate +10....	1.00	1.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate +9.9...	1.00	1.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	20141.33	11087.75
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.0...	33705.67	18296.25
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.1...	3412246.67	2742890.75
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.2...	2518.33	6647.25
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.2...	92357.00	79434.25
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.3...	38494.00	20578.75
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.4...	40325.00	25603.75
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.5...	254481.33	169945.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.6...	17846.33	3023.75
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.6...	9809.67	6203.25
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.8...	1977.33	1.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +10.9...	13738.33	3392.50
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate +9.71...	49277.00	29483.50
estra-5,7,9-triene-3?,17?-diol	10916.67	12318.75
Estradiol-17-phenylpropionate	1.00	1.00
Estradiol-17-phenylpropionate +10.0165	1.00	1.00
Estradiol-17-phenylpropionate +6.5553336	49075.67	1.00
Estradiol-17-phenylpropionate +9.99	1.00	1.00
Estradiol acetate	1.00	1.00
Estradiol disulfate	1.00	1.00
Estramustine phosphate	1.00	1.00
Estriol Methyl Ether	1.00	1.00
Estriol Methyl Ether +3.882	1.00	1.00
estrone 3-sulfate	1.00	1.00
Etacelasil	1.00	1.00
Ethacrynic acid M1	1.00	1.00
Ethacrynic acid M1 -6.495	1.00	1.00
Ethadione	1.00	3467.25
Ethadione +1.1924	15320.67	6805.50
Ethadione +1.394	1.00	1.00
Ethadione +2.143	1.00	2047.75
Ethadione -3.392	1.00	1.00
Ethadione +3.3974285	14183.67	30936.75
Ethadione +3.964	1.00	1.00
Ethambutol	1.00	1.00
Ethambutol aldehyde	62422.33	92080.00
Ethambutol aldehyde +1.3275	1.00	1.00
Ethambutol aldehyde +4.51	25812.00	1.00
Ethanolamine	1.00	1.00
Ethenodeoxyadenosine	1.00	5195.75
Ethephon	1.00	1.00
Ethidimuron	1.00	1.00
Ethionamide	1.00	1.00
Ethionine	1.00	1.00
Ethirimol	1.00	1.00
Ethirimol +0.936	7020.67	1.00
Ethofumesate	1.00	1.00
Ethopropazine	1.00	1.00
Ethopropazine +3.226	1.00	1.00
Ethopropazine +3.655	1.00	1.00
Ethosuximide	1.00	1.00
Ethosuximide M3 glucuronide	1.00	2205.00
Ethoxyquin	27757.67	1.00
Ethoxyquin +3.666	6589.00	1.00
Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate	6995.67	1.00
Ethyl 3-(N-butylacetamido)propionate	22280.67	11417.25
Ethyl 3-(N-butylacetamido)propionate +3.328	1.00	1.00
Ethyl 3-(N-butylacetamido)propionate +3.631	1.00	10728.75
Ethyl 3-(N-butylacetamido)propionate +6.558	1.00	10150.00
Ethyl-imidazole carboxylate	205996.00	35680.50
Ethyl-imidazole carboxylate +1.708	1.00	6338.75
Ethyl isobutyl ketone	18999.00	1.00
Ethyl isobutyl ketone -6.946	1.00	1.00
Ethylketocyclazocine	39192.33	8968.50
Ethyl-L-NIO	2782.67	1.00
Ethyl-L-NIO +1.399	6030.33	1.00
Ethyl methanesulfonate	1.00	1.00
Ethyl-p-coumarate	1.00	14106.50
Ethyl-p-coumarate +5.081	1.00	1.00
Ethyl phenothiazine-2-carbamate	1.00	1.00
Ethyl syringate	1.00	1.00
Ethyl syringate +5.005	1.00	1.00
Euchretin A	1.00	1.00
Euchretin B	1.00	1.00
(+)-Eudesmin	48435.00	50450.00
(+)-Eudesmin -5.555625	1.00	1.00
(+)-Eudesmin -5.608	1.00	1.00
(+)-Eudesmin -5.7330003	1.00	1.00
(+)-Eudesmin -6.4056	1.00	1.00
(+)-Eudesmin -6.5915	1.00	1.00
(+)-Eudesmin -6.652333	1.00	1.00
(+)-Eudesmin -6.745	1.00	1.00
Eugenyl Benzoate	1.00	6399.00
Euglobal-Ia1	3622.67	1.00
Euphorbia factor Ti2	1.00	1.00
Euphornin	1.00	1.00
Euphornin -6.55	1.00	1.00
Euphornin -7.081	1.00	1.00
Euxanthone	13597.67	9174.25
Euxanthone +0.956	1.00	20871.00
Euxanthone -6.659	1.00	1.00
Evadol	49459.00	5202.50
Evadol +0.93	7271.00	1.00
Evadol +3.74	1.00	1.00
Evadol +7.802	1.00	1.00
Evadol +8.150499	4356.33	1.00
Evasterioside A	1.00	1.00
Evasterioside C	3989.00	1.00
Evasterioside E	1.00	1.00
Evoxanthidine	1.00	1.00
F4-Neuroprostane (7-series)	1.00	4802.00
F4-Neuroprostane (7-series) +7.082	1.00	1687.00
Fabianine	1.00	1.00
Fagomine	40310.33	733455.50
Fagomine +0.98	847190.33	29045.00
Fagomine +1.157125	7811.33	12117.00
Fagomine +1.188	1.00	1.00
Fagomine +1.336625	1.00	19576.50
Fagomine +1.611	1.00	1.00
Falcarindiol	1.00	1.00
Famciclovir	1.00	1.00
Famciclovir +1.2853333	1.00	1.00
Famciclovir +1.3957999	1.00	1.00
Famciclovir +1.622	1.00	1.00
Famciclovir +3.053	1.00	1.00
Famciclovir +7.872	1.00	1.00
Fampridine	21796.67	479142.00
Fampridine +1.393625	11230.00	4170.00
Farfugin A	1.00	11025.00
Farfugin A +3.318	1.00	8935.00
Farnesyl Thiosalicylic Acid	1.00	1.00
Farnesyl Thiosalicylic Acid +0.95	1.00	2993.25
Farnesyl Thiosalicylic Acid Amide	10718.00	7820.50
Fasoracetam	1.00	1.00
Fasoracetam +1.398	1.00	1.00
Fasoracetam +3.599	1.00	1.00
Fasoracetam +3.893	1.00	1.00
Felbamate monocarboxylate	1.00	1.00
Felbamate monocarboxylate -3.113	1.00	1.00
Fenamisal	1.00	1.00
Fenapanil	1.00	1.00
Fenbufen	1.00	1.00
Fenbufen +1.237	1.00	1.00
Fenclorim	1.00	1.00
Fenirofibrate	1.00	1.00
Fenofibrate	1.00	1.00
Fenothiocarb	1.00	1.00
Fenothiocarb sulfoxide	1.00	1.00
Fenoxycarb	1.00	1326.25
Fenoxycarb -5.6638002	1.00	1.00
Fenpropathrin	1.00	1.00
Fensulfothion	5993.00	1.00
Fenuron	1.00	6519.25
Fenuron +3.262	1.00	10932.25
Fenuron +3.3249998	1.00	76933.25
Fenuron +5.245	1.00	8311.75
Ferimzone	21119.67	16854.75
Ferimzone +4.844	1.00	7906.00
Feruloylagmatine	9991.33	1.00
Feruloylputrescine	18026.67	1.00
Feruloylputrescine +3.099	1.00	1.00
Feruloylputrescine +3.663	1.00	1.00
Feruloylputrescine +3.843	1.00	1.00
Feruloylputrescine +6.213	1.00	1.00
F-Honaucin A	1.00	1.00
F-Honaucin A -0.951	1.00	1.00
F-Honaucin A +3.178	1.00	2074.00
Fibrin	39584.67	51573.00
Filicin	5835.67	6499.75
Filicin +6.9	1.00	3193.00
Finaconitine	1.00	1.00
FIPI	1.00	4462.75
FK-409	1.00	2499.25
FK-409 +1.29	2365.33	1.00
Flavokawin A	3344.33	1904.75
Flavokawin A +6.652	1.00	1.00
Flavoxate	1.00	1.00
Flavoxate +3.421	2224.33	1.00
Flecainide	1.00	10669.75
Fleroxacin	1.00	7720.00
Flindersine	1.00	9248.50
Flindersine +1.614	1.00	1.00
Flindersine +3.88	1.00	14155.00
Fluacrypyrim	1.00	6220.00
Fludarabine	1.00	4142.25
Fludrocortisone acetate	1.00	1.00
Fluenetil	1.00	1.00
Flufenoxuron	1.00	1.00
flumethasone pivalate	1.00	1.00
flumethasone pivalate -6.117	1.00	1.00
flumethasone pivalate +6.615	1.00	16669.00
Flunarizine	1.00	1.00
Flunarizine 4-oxide	1.00	3481.25
Fluopicolide	1.00	1.00
Fluoroureidopropionic acid	1.00	1.00
Fluoxetine	1.00	4595.25
Flupenthixol-O-glucuronide	1.00	1.00
Flupenthixol-O-glucuronide +3.2253335	23294.33	1.00
Flupenthixol-O-glucuronide +3.4295	8340.33	1.00
Flupenthixol-O-glucuronide +3.6863334	5380.00	1.00
Flupenthixol-O-glucuronide +3.735	4549.33	1.00
Flupenthixol sulfoxide	1.00	1.00
Flupenthixol sulfoxide +3.418	1.00	1.00
Flupenthixol sulfoxide +8.489	1.00	1.00
Fluperlapine	1.00	1.00
Fluphenazine	1.00	1.00
Fluphenazine enanthate	58994.33	1.00
Flupropanate	1.00	1.00
Fluprostenol methyl ester	1.00	1.00
Fluprostenol methyl ester -7.649	1.00	1.00
Flurazepam	1.00	1.00
Flusilazole	1.00	1.00
Flutriafol	1.00	1.00
Flutriafol +3.6463335	42665.67	1.00
Fluvoxamine	104625.67	178197.00
Fluvoxamine +6.4075003	1.00	1.00
Fluvoxamine +6.624901	43898.00	101118.75
Fonofos	1.00	1.00
Fonofos -0.964	1.00	1.00
Formimino-L-glutamic acid	1.00	1.00
Formimino-L-glutamic acid -1.294	1.00	1.00
Formyl-5-hydroxykynurenamine	13570.00	1.00
Formylisoglutamine	1.00	3741.25
Fortimicin KK1	1.00	1.00
Fridamycin E	1.00	1.00
Fructoselysine	1.00	5465.50
Fuberidazole	10364.00	1.00
Fuberidazole +3.83	1.00	26348.00
Fulvine	1.00	1.00
Fulvine +4.112	1.00	1.00
Fulvine +4.406	1.00	1.00
Fulvine -5.731	1.00	1.00
Fulvinervin B	1.00	1.00
Fulvinervin B +1.395	26272.00	1.00
Fulvinervin B +1.617	15562.67	1.00
Funtumine	1.00	1.00
Furafylline	1.00	1.00
Furafylline +1.35575	1.00	21671.25
Furafylline -1.38575	1.00	1.00
Furafylline +1.5635	72590.00	1.00
Furafylline -1.618	1.00	1.00
Furafylline +1.6220001	68020.00	1.00
Furafylline +2.611	1.00	1.00
Furafylline +3.194	1.00	1.00
Furano[2^^,3^^:6,7]aurone	1.00	1.00
Furanodiene	1.00	1.00
Furanodienone	1.00	1.00
Furathiocarb	1.00	1952.75
Furfural	1.00	1.00
Furfural +1.401	1.00	1.00
Furfural diethyl acetal	1.00	1.00
Furfural diethyl acetal +1.388	1.00	1.00
Furfural diethyl acetal +3.8725	1.00	34693.00
Furfural diethyl acetal -4.46	1.00	1.00
Furfural diethyl acetal -4.578	1.00	1.00
Furfural diethyl acetal +4.964	1.00	6074.00
Furfural diethyl acetal +5.075	1.00	7921.75
Furfural diethyl acetal -5.27	1.00	1.00
Furfural diethyl acetal +6.207333	1.00	4561.00
Furmecyclox	1.00	1.00
Furmecyclox +3.961	1.00	3027.25
Furmecyclox +4.057	1.00	8139.75
Furmecyclox +5.825	1.00	1.00
Fursultiamine	1.00	4155.00
Fursultiamine +1.623	1.00	1.00
Fursultiamine -3.415	1.00	1.00
Fursultiamine +3.613	1.00	1791.50
Fusicoccin A	15334.67	14850.75
Fusicoccin H	1.00	1.00
Fusicoccin H -6.86	1.00	1.00
(-)-Fusicoplagin A	1.00	5006.50
(-)-Fusidic acid	1.00	1.00
(-)-Fusidic acid +6.89	1.00	1.00
Gabaculine	1.00	1.00
Gabaculine +1.1775	6875.00	37075.25
Gabaculine +1.222	2231.00	1.00
Gabaculine +1.25225	5672.67	9859.25
Gabaculine +1.2533334	5648.00	1.00
Gabaculine +1.3984	1.00	4721.00
Gabaculine -2.993	1.00	1.00
Gabaculine -3.8474998	1.00	1.00
Gabaculine -4.4005003	1.00	1.00
Gabapentin	66791.00	1.00
Gabapentin +12.3175	1.00	1.00
Gabapentin +1.398	1.00	2564.25
Gabapentin +5.569	1.00	1.00
Gal?1-3GlcNAc?-Sp	1.00	1.00
Gal?1-4GlcNAc?-Sp	1.00	1.00
Galabiosylceramide (d18:1/12:0)	1.00	1.00
Galactan	1.00	1.00
Galactose-beta-1,4-xylose	1.00	1.00
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/18:0)	1.00	1.00
Galbeta-Cer(d18:1/16:0)	1.00	1.00
Gallocatechin-4beta-ol	1.00	1.00
GalNAc?1-4[Fuc?1-3]GlcNAc?-Sp	1.00	1.00
GalNAc?1-4GlcNAc?-Sp	12760.33	3381.75
?-Gal-NONOate	1.00	1.00
Gambieric acid B	1.00	1.00
Gancaonin Q	1.00	1.00
Ganglioside GM3 (d18:0/22:1(13Z))	1.00	1.00
Gardoside	1.00	1.00
Gardoside -3.683	1.00	1.00
Gatifloxacin	1.00	1.00
Gatifloxacin +1.6273333	3802.67	5324.50
Gatifloxacin +1.633	1.00	1.00
Gelsemicine	21999.00	7294.25
Gelsemicine +4.235	1.00	10743.00
Gelsemicine -6.2905	1.00	1.00
Gelsemicine -7.107	1.00	1.00
Gelsemicine +7.24	5657.00	8871.00
Gemfibrozil, metabolite II	1.00	1.00
Gemfibrozil, metabolite II -11.626187	1.00	1.00
Gemfibrozil, metabolite II +5.396	1.00	1.00
Gemfibrozil, metabolite II +6.588	1.00	1.00
Gemifloxacin	1.00	1.00
Genipin 1-beta-gentiobioside	1.00	1.00
Gentamicin	25929.67	1.00
Gentamicin C1a	1.00	12020.00
Gentamicin C1a +4.741	1.00	4285.00
Gentamicin C1a +4.907	16324.33	6121.00
Gentamicin X2	1.00	1.00
Gentamicin X2 -10.396999	1.00	1.00
Gentamicin X2 -10.571	1.00	1.00
Gentamicin X2 -10.5945	1.00	1.00
Gentamicin X2 -10.598384	1.00	1.00
Gentamicin X2 -9.657	1.00	1.00
Gentamicin X2 -9.70325	1.00	1.00
Gentian violet	22904.33	1.00
Gentisein	1.00	1.00
geodisterol-O-sulfite	1.00	1.00
geodisterol-O-sulfite -6.9160004	1.00	1.00
Geranylhydroquinone	1.00	1.00
Geranylhydroquinone +1.4	1.00	1.00
Geranylhydroquinone +1.629	1.00	2486.00
Gestrinone	15476.33	1.00
Gestrinone +10.483	22860.00	1.00
Gibberellin A29	5728.33	1.00
gibberellin A2 O-beta-D-glucoside	1.00	1.00
Gibberellin A36	1.00	1.00
Gibberellin A44	1.00	1.00
Gibberellin A53	1.00	1.00
Gibberellin A8	1.00	1.00
Gibberellin A8-catabolite	3419.67	4896.75
Gibberellin A9	3093.00	1.00
Gibberellin A9 +6.134	16224.00	1.00
Gingerdione	1.00	1.00
Gingerdione +11.415	4738.33	1.00
Glabrescione B	1.00	1.00
Glaucolide B	1.00	1.00
GlcCer(d18:2/20:0)	1.00	1.00
GlcCer(d18:2/20:0) +0.9026666	1.00	9039.00
Gln Asn His	1.00	1.00
Gln Asn Tyr	1.00	1.00
Gln Gln Ile	1.00	1.00
Gln Gln Trp	1.00	1.00
Gln Gln Trp -10.265	1.00	1.00
Gln Gln Trp +3.096	1.00	1.00
Gln Glu Ile	1.00	1.00
Gln Glu Ile +3.2220001	1.00	1.00
Gln Glu Phe	1.00	18746.75
Gln Glu Phe +3.438	1.00	1.00
Gln Glu Phe +4.445	1.00	7624.25
Gln Gly Thr	1.00	1.00
Gln His Thr	1.00	1.00
Gln Lys Ile	45661.33	1.00
Gln Phe Ile	1.00	1.00
Gln Phe Leu	1.00	1.00
Gln Phe Leu -9.060666	1.00	1.00
Gln Pro	13151.33	1.00
Gln Pro Ala	6732.33	6016.25
Gln Pro Ala -3.047	1.00	1.00
Gln Pro Ala +3.093	1.00	1.00
Gln Pro Ala +3.3845	1.00	2579.25
Gln Pro Gln	1.00	1.00
Gln Pro Pro	1.00	1602.25
Gln Pro Pro +3.295	1.00	1.00
Gln Pro Pro +4.5526	1.00	10277.25
Gln Pro Trp	1.00	1.00
Gln Ser Asp	29240.67	1.00
Gln Ser Ser	3693.00	1.00
Gln Trp Ser	24695.67	1.00
Gln Trp Trp	1.00	1.00
Gln Trp Trp +6.89	1.00	1.00
Gln Trp Trp +7.277	1.00	1.00
Gln Tyr Asn	1.00	1.00
Gln Val Asp	1.00	1.00
Gln Val Asp +4.354	1.00	1.00
Gloriosine	1.00	1.00
Gloriosine +1.633	1.00	1.00
Glu Ala Ala	1.00	1.00
Glu Ala Asn	1.00	1.00
Glu Arg Glu	1.00	1.00
Glu Asn Tyr	21470.67	14016.75
Glucoheptonic acid	1.00	1.00
Glucosylgalactosyl hydroxylysine	1.00	2460.25
Glucosyloxyanthraquinone	1.00	1.00
Glucovanillin	1.00	1.00
Glucuronolactone	4520.33	11165.50
Glu Cys Met	1789.67	1.00
Glu Cys Met +3.784	4533.33	1.00
Glu Gln	1.00	1.00
Glu Gln Arg	1.00	1.00
Glu Gln Leu	1.00	1.00
Glu Glu Thr	1.00	1.00
Glu His Glu	1.00	1.00
Glu His Pro	1.00	1.00
Glu Ile	1.00	1.00
Glu Ile +1.673	1.00	1.00
Glu Ile +1.745	1.00	1.00
Glu Ile -3.6935	1.00	1.00
Glu Ile Ala	1.00	1.00
Glu Ile Ala -3.482	1.00	1.00
Glu Ile Ala -3.607	1.00	1.00
Glu Leu Gly	1.00	1.00
Glu Leu Trp	1.00	1.00
Glu Lys Arg	1.00	3722.25
Glu Lys Asp	3235.67	1.00
Glu-P-1	1.00	1.00
Glu-P-1 +1.636	19415.00	1.00
Glu-P-1 +3.798	1.00	1.00
Glu-P-1 +5.666	1.00	9225.25
Glu-P-2	1.00	1.00
Glu-P-2 +3.679	1.00	2036.00
Glu-P-2 +3.9275	1.00	3396.25
Glu-P-2 +4.022	1.00	15401.50
Glu-P-2 +4.415	1.00	1.00
Glu Phe Ala	1.00	1.00
Glu Phe Asn	1.00	1.00
Glu Phe Glu	1.00	1.00
Glu Phe Glu +3.46	3773.33	1.00
Glu Phe Glu +3.554	1.00	1.00
Glu Phe Tyr	1.00	1770.50
Glu Pro Pro	5930.33	1.00
Glu Pro Val	1.00	1.00
Glu Ser Phe	1.00	1.00
Glutamine	1.00	1.00
?-Glutamyl-?-aminobutyraldehyde	7228.00	8833.50
?-Glutamyl-?-aminobutyraldehyde +1.1485	1.00	2781.25
?-Glutamyl-?-aminobutyraldehyde +1.651	1.00	3033.00
?-Glutamyl-?-aminobutyraldehyde +3.3745	8407.67	1.00
?-Glutamyl-?-aminopropiononitrile	1.00	13177.75
?-Glutamyl-?-aminopropiononitrile +1.3835	19713.33	13820.75
?-Glutamyl-?-cyanoalanine	55734.67	12381.75
Glutamylphenylalanine	7250.00	25576.25
Glutarimide	1.00	9714.50
Glutathione, oxidized	1.00	1.00
Glutinosone	48390.67	47264.50
Glutinosone +11.715	1.00	1.00
Glu Tyr Pro	1.00	1.00
Glu Val Asp	1.00	1.00
Glu Val Gly	1.00	2304.75
Glu Val Pro	1.00	1.00
Gly Arg Ile	3164.00	1.00
Gly Asn Asn	1.00	1623.00
Gly Asn Lys	1.00	1.00
Gly Asp Gly	1.00	1.00
Gly Asp Gly -5.246	1.00	1.00
Glyburide	1.00	1.00
Glyburide -3.674	1.00	1.00
Glycerol	1.00	1.00
Glycerophospho-N-Arachidonoyl Ethanolamine	1.00	1.00
Glycobismine A	1.00	1.00
Glycobismine A +3.311	1.00	1.00
glycodeoxycholic acid	1.00	1.00
Glycolic acid	1.00	5838.50
Glycoursodeoxycholic acid	1.00	1.00
Glycyl-L-leucine	100653.33	68207.75
Glycyl-L-leucine +1.1238	69553.67	10467.75
Glycyl-L-leucine -1.153	1.00	1.00
Glycyl-L-leucine -1.329	1.00	1.00
Glycyl-L-leucine +1.3846666	4757.67	2928.25
Glycyl-L-leucine +2.123	18760.00	1.00
Glycyl-L-leucine +2.162	14970.67	1.00
Glycyl-L-leucine +3.2303333	11035.33	1.00
Glycyl-L-leucine -3.6330001	1.00	1.00
Glycyl-L-leucine +3.6463335	39587.67	5493.75
Glycyl-L-leucine -3.76075	1.00	1.00
Glycyl-L-leucine +3.7738333	50067.67	3240.75
Gly Gly Val	1.00	1.00
Gly Gly Val +1.403	1.00	1.00
Gly His	1.00	6205.75
Gly His +3.471	1.00	3664.75
Gly-His-OH	1.00	1.00
Gly His Phe	2622.00	1412.25
Gly His Phe +3.254	9236.67	1.00
Gly His Val	1.00	1.00
Gly His Val +1.386	1.00	1.00
Gly His Val +1.3970001	1.00	1.00
Gly-HoPhe-OH	1.00	1.00
Gly Ile Ala	14250.67	9683.00
Gly Ile Ala +1.397	1.00	9279.50
Gly Ile Ala -3.566	1.00	1.00
Gly Leu Arg	1.00	1.00
Gly Leu Arg +13.437333	1.00	2044.00
Gly Leu Arg +3.179	1.00	1.00
Gly Leu Glu	1.00	1.00
Gly Leu Leu	6725.00	1.00
Gly Leu Leu +3.2363331	1.00	1.00
Gly Leu Leu +3.392	7890.33	1.00
Gly Leu Leu -3.987	1.00	1.00
Gly Leu Leu +4.133	1.00	1.00
Gly Leu Leu +4.437	1.00	1.00
Gly Leu Leu +4.681	1.00	1.00
Gly Leu Leu +4.776	1918.33	1.00
Gly Leu Leu +4.848	3529.67	1.00
Gly Leu Leu -5.339	1.00	1.00
Gly Phe	1.00	1.00
Gly Phe +3.112	17345.00	9694.00
Gly Phe Ile	3368.00	4160.25
Gly Pro Ala	1.00	2547.25
Gly Pro Gly	1.00	1.00
Gly Pro Gly +1.2675	1.00	4999.00
Gly Pro Gly +1.379	1.00	1.00
Gly Pro Gly +3.07	1.00	1.00
Gly Pro Ile	1.00	1.00
Gly Pro Val	11378.67	1.00
Gly-Ser-OH	1.00	1.00
Gly Ser Trp	4894.33	1.00
Gly Thr Lys	1.00	1.00
Gly Trp Phe	1.00	1.00
Gly Tyr Arg	1.00	1.00
Gly Tyr Asn	1.00	1.00
Gly Tyr Gly	1.00	3083.25
Gly Tyr Pro	1.00	1.00
Gly Val Glu	1.00	1.00
Gly Val Glu +3.6255	1.00	1.00
Gly Val Ile	8326.00	1.00
Gly Val Met	1.00	1.00
Gly Val Met +4.536	1.00	1.00
Gly Val Tyr	1.00	1.00
Gö 6983	1.00	1.00
Gö 6983 -7.88	1.00	1.00
(±)-Goniothalesdiol	1.00	6477.25
Gonyautoxin 5	1.00	1.00
Gracillin	1.00	1.00
Gramine	1.00	1.00
Granisetron	1.00	1.00
Granisetron -3.397	1.00	1.00
Granisetron +6.63	7341.67	1.00
Granisetron metabolite 3	1.00	1.00
Granisetron metabolite 4	1.00	1.00
Granisetron metabolite 4 -10.412	1.00	1.00
Granisetron metabolite 4 +1.193	9026.00	1.00
Graphinone	160693.33	34918.25
Graphinone +11.698	1.00	1.00
Graphinone +6.9438004	213139.33	419215.75
Graphinone -7.523	1.00	1.00
Graphinone +9.038	4053.33	95485.50
Graphinone +9.1108	28532.00	84235.25
Graphinone +9.247428	183743.00	48226.25
Grayanotoxin I	1.00	1409.75
Grayanotoxin I +6.445	1.00	1.00
Grepafloxacin glucuronide	1.00	1.00
GS 1500	1.00	1.00
guanabenz	1.00	1.00
guanfacine	15101.33	1.00
Guanidine	1.00	1.00
Guanidinoproclavaminic acid	1.00	5148.25
Guanidinoproclavaminic acid +0.954	5278.00	1.00
Guanidinoproclavaminic acid +4.474	1.00	4491.50
Guanosine	1.00	1.00
Guanosine -2.906	1.00	1.00
Guvacoline	1.00	1.00
Guvacoline +3.07	1.00	4494.75
GW 0791	1.00	1.00
GW 409544	1.00	1.00
GW 4869	1.00	1.00
GW 627368X	1.00	1.00
GW 9662	1.00	1.00
GW 9662 -3.178	1.00	1.00
GW 9662 -3.223	1.00	1.00
GW 9662 -3.511	1.00	1.00
GYKI 52895	8842.67	1.00
Gymnemic acid I	1.00	2882.75
Gymnemic acid I -5.9255	1.00	1.00
GYY 4137	1.00	1.00
H-1152	1.00	18405.00
Haemanthidine	1.00	1.00
Halaminol A	5512.00	9961.75
Halaminol A +11.911	1.00	2522.25
Halaminol A +12.585856	7651.33	13731.50
halazone	1.00	1.00
Haloxydine	1.00	1.00
Harderoporphyrinogen	1.00	10432.75
Harderoporphyrinogen +9.121	4560.33	1.00
Harderoporphyrinogen +9.2505	5894.00	9894.75
Harmine	1.00	9674.75
Harzianopyridone	1.00	1.00
Harzianopyridone +3.12	1.00	52215.50
Harzianopyridone +3.315	1.00	8832.50
Harzianopyridone +3.4035	1.00	1.00
Harzianopyridone +3.5405002	1.00	1.00
Harzianopyridone +3.93725	1.00	1.00
Harzianopyridone +4.994	1.00	4268.25
HC Blue No. 2	9811.00	1.00
HC Blue No. 2 +1.3686666	1.00	7279.50
HC Blue No. 2 +1.621	1.00	1.00
HC Blue No. 2 +3.043	5398.33	1.00
HC Yellow No. 4	3113.33	13721.75
HC Yellow No. 4 +1.327	4495.33	1.00
HC Yellow No. 4 -3.4049997	1.00	1.00
Hecogenin Acetate	8765.67	16533.50
Hederacoside C	1.00	1.00
Helilupolone	1.00	1.00
Helilupolone +6.3385005	7051.00	27071.75
Heliotrine	1.00	1.00
Heliotrine +5.025	1.00	1.00
Hematoporphyrin	1.00	1.00
Hemigossypol	1.00	1.00
Hemigossypol +3.3586667	1.00	1.00
Heptabarbital	11630.33	5602.75
Heptachlor epoxide	1.00	6206.25
heptadeca-2,9-dien-4,6-diyn-1,8-diol	1.00	1.00
heptadeca-2,9-dien-4,6-diyn-1,8-diol +11.6995	1.00	1.00
heptadeca-2,9-dien-4,6-diyn-1,8-diol +11.708	1.00	1588.75
Heptaminol	30819.00	77840.50
Heptaminol +1.5320001	1.00	13513.50
Heptopargil	9538.00	1.00
Heptyl p-hydroxybenzoate	25633.00	27425.75
Herbacetin 3-glucuronide-8-glucoside	22742.67	1.00
Heritonin	7411.67	10250.50
Heritonin +1.219	17338.67	1.00
Heritonin +1.6205	11139.33	1.00
Heritonin +3.076	1.00	1755.00
Heudelottin C	1.00	1.00
hexachlorophene	1.00	1.00
Hexadecanoic acid, 2-amino-, (R)-; (R)-2-Aminohexadecanoic a...	1.00	1.00
Hexadecanoic acid, 2-iodo-; 2-Iodohexadecanoic acid	1.00	1.00
Hexahomomethionine	1.00	1.00
?-Hexalactone	1.00	6954.75
?-Hexalactone +1.391	1.00	8743.25
?-Hexalactone +3.6315	1.00	1.00
?-Hexalactone +5.6145	1.00	1.00
Hexandraside D	1.00	1.00
Hexandraside D +1.396	6263.67	1.00
hexane	1.00	8986.00
Hexanoylglycine	10453.67	32636.00
Hexanoylglycine +1.238	1.00	1.00
Hexanoylglycine +1.2613333	1.00	15717.75
Hexanoylglycine +1.321	1.00	5607.75
Hexanoylglycine +1.6102499	12030.33	15783.50
Hexanoylglycine +4.1555	11392.00	23868.25
Hexanoylglycine +4.4425	1.00	1.00
Hexanoylglycine +4.488	7772.00	49279.00
Hexanoylglycine +4.7264996	19211.33	4552.00
Hexanoylglycine +5.0066667	6623.00	1.00
Hexanoylglycine +5.238	9101.00	1.00
Hexanoylglycine +5.323	5701.67	1.00
Hexanoylglycine +5.537	1.00	1.00
Hexazinone	5014.67	1.00
Hexazinone -3.738	1.00	1.00
Hexazinone +4.037	5758.00	1.00
Hexestrol monomethyl ether	1.00	1.00
Hexobarbitone	1.00	1.00
Hexobarbitone +1.403	1.00	1.00
Hexobarbitone +1.6183333	8381.67	1.00
Hexylamine	6055.33	1.00
Hildgardtene	9766.67	1.00
Hildgardtene +0.936	4927.00	1.00
Hildgardtene +5.122	1.00	1.00
Hinokitiol glucoside	1.00	1.00
Hippeastrine	1.00	1.00
Hippuristanolide	1.00	1.00
Hippuristanolide -6.9550004	1.00	1.00
Hippuristanolide -7.41	1.00	1.00
His-Abu-OH	1.00	1951.25
His Ala	1.00	5019.50
His Ala +0.923	13365.33	1.00
His Arg	1.00	1.00
His Arg +3.532	1.00	1.00
His Arg +4.8310003	36729.67	1.00
His Arg Ala	1.00	1.00
His Arg Arg	1.00	1.00
His Asn Met	1.00	1705.25
His Asn Val	1.00	5059.00
His Asp Thr	1.00	1.00
His Asp Thr +1.009	4406.00	1.00
His Cys Arg	1.00	1.00
His Cys Gln	1.00	1.00
His Gln	1.00	3585.00
His Gln Tyr	6059.00	1.00
His Gly Pro	7735.67	1.00
His His	6679.67	1.00
His-HoPhe-OH	6486.33	1.00
His Ile Val	1.00	1.00
His Lys	1.00	1.00
His Lys +1.6235	1.00	1.00
His Lys +3.159	13400.00	1.00
His Lys +4.715	1.00	8424.75
His Lys Cys	1.00	1.00
His Lys Met	1.00	1.00
His Lys Phe	1.00	1.00
His Lys Pro	1766.67	1.00
His Met Gly	1.00	1.00
His Met Lys	5242.33	1.00
His Met Phe	1.00	1.00
His-Nap-OH	1.00	1.00
His-Nap-OH -9.704	1.00	1.00
His Phe Gly	1.00	1724.75
His Phe Gly +4.303	1.00	1.00
His Pro	20785.33	30482.00
His Pro +1.4	1.00	1.00
His Pro +3.129	1.00	1307.00
His Pro +3.9575	1.00	1.00
His Pro Ala	1.00	1.00
Histamine	1.00	8803.50
Histamine +0.8925	40465.00	23968.50
His Thr	9624.33	1.00
His Thr +1.214	1.00	1.00
Histidylleucine	1.00	1.00
Histidylleucine +0.938	1.00	1.00
Histidylleucine +3.716	1.00	1.00
Histidylleucine +3.871	1.00	18099.25
Histidylproline diketopiperazine	13315.33	2685.25
Histrionicotoxin	4847.33	1.00
His-Trp-OH	1.00	1.00
HMMF	57860.00	22000.50
HMMF -0.914	1.00	1.00
Hodgkinsine	1.00	1.00
Homaline	101812.00	139683.00
Homaline +6.4829993	327245.67	313240.00
Homatropine	144311.33	58692.50
Homatropine +4.822	19324.33	1.00
Homatropine -7.4	1.00	1.00
Homoanserine	1.00	15198.75
Homoanserine +0.9395	40741.33	1.00
Homoanserine +3.526	13370.67	1.00
Homocysteinesulfinic acid	1.00	1.00
Homocystine	1.00	7656.00
Homocystine +3.882	1.00	15280.00
Homocystine +4.068	1.00	512958.00
Homoglutamine	1.00	1.00
Homoisocitrate	1.00	1.00
Homovanillyl alcohol	1.00	5263.50
Homovanillyl alcohol +4.425	1.00	4942.25
HoPhe-Met-OH	1.00	1.00
HQL-79	1.00	1.00
Huperzine B	4074.67	1.00
Hycanthone	1.00	1.00
Hycanthone +3.2405	8386.33	3707.00
Hycanthone +3.4334998	1.00	12491.50
Hydralazine	1.00	5795.25
Hydralazine +3.164	1.00	7416.75
Hydrocortisone butyrate propionate	1.00	1.00
Hydrocortisone butyrate propionate -10.588555	1.00	1.00
Hydrocortisone butyrate propionate -9.232	1.00	1.00
Hydrocortisone butyrate propionate -9.7085	1.00	1.00
Hydrocortisone cypionate	1.00	1866.50
Hydromorphone-3-glucuronide	1.00	2329.75
Hydroxy-3-O-methyl-6?-naltrexol	1.00	7212.25
Hydroxyanastrozole	1.00	1.00
Hydroxyatrazine	331653.00	86185.00
Hydroxybupropion	1.00	1.00
Hydroxybupropion +5.76	1.00	1.00
Hydroxychloroquine	5515.33	1.00
hydroxydoxepin M4	1.00	1.00
?-hydroxy Farnesyl Phosphonic Acid	3511.00	4123.50
Hydroxy-gamma-sanshool	1.00	1.00
Hydroxyibuprofen	1.00	1.00
Hydroxyibuprofen -9.537	1.00	1.00
hydroxy-isocaproic acid	1.00	1.00
hydroxy-isocaproic acid -5.235	1.00	1.00
Hydroxymelphalan	1.00	1.00
Hydroxymethylphosphonate	1.00	5171.25
Hydroxypentobarbital	8434.67	7415.50
Hydroxypentobarbital +3.167	1.00	1.00
Hydroxyphenoxyethylaminohydroxypropanol	4066.67	4014.50
Hydroxyphenoxyethylaminohydroxypropanol +1.038	1.00	1.00
Hydroxyphenoxyethylaminohydroxypropanol +3.3066666	1.00	1.00
Hydroxyphenoxyethylaminohydroxypropanol +3.625	1.00	1.00
Hydroxyphenoxyethylaminohydroxypropanol +3.6796665	1.00	1.00
Hydroxyphenoxyethylaminohydroxypropanol +4.4709997	1.00	1.00
Hydroxythiopental	11761.67	1.00
Hydroxythiopental +3.8225	1.00	52205.50
Hydroxythiopental +4.1945	1.00	1241139.00
Hydroxytolbutamide	1.00	1.00
Hydroxyvernolide	1.00	1.00
Hydroxyvernolide -5.224	1.00	1.00
(-)-Hygroline	20011.67	21179.50
Hygromycin A	1.00	3167.25
Hymenoflorin	42632.00	36372.25
Hymenoxon	1.00	5199.25
Hymenoxon +1.07	1.00	31517.75
Hymenoxon +1.231	1.00	1.00
Hymexazol	1.00	1.00
Hymexazol N-glucoside	1.00	1.00
Hypoxanthine	1.00	1.00
IACI	1.00	1.00
IACI -7.860334	1.00	1.00
IACI -8.2955	1.00	1.00
I-BOP	1.00	1.00
(±)-Ibuprofen	1.00	1.00
Ibutilide	1.00	1.00
Ibutilide -7.76425	1.00	1.00
Ibutilide -9.058666	1.00	1.00
Icariside II	129424.00	32993.25
Icariside II +5.166	31152.67	11158.00
Icaritin 3-rhamnoside	1.00	1.00
Idanpramine	1.00	1.00
Idanpramine +5.93	1.00	2737.50
Idanpramine -7.0804996	1.00	1.00
Idebenone	1.00	1.00
Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,...	2590.00	14164.75
Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,...	1.00	1.00
Idebenone Metabolite (Benzenedecanoic acid, 2-hydroxy-3,4-di...	1.00	1.00
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,...	1.00	1.00
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,...	1.00	7518.50
Idebenone Metabolite (?-D-Glucopyranosiduronic acid, 4-hydro...	1.00	1.00
Idebenone Metabolite (QS-10)	1.00	5628.50
I-Honaucin A	1.00	1.00
Ile-Abu-OH	2360.33	1.00
Ile Arg Pro	1.00	1.00
Ile Cys Pro	58133.67	57598.75
Ile Glu Arg	1.00	1.00
Ile Gly Gly	1.00	1.00
Ile Ile His	1.00	1.00
Ile Ile His +4.758	1.00	1.00
Ile Leu Glu	1.00	1.00
Ile-lle-OH	1.00	1544.00
Ile Lys Met	1.00	1.00
Ile Lys Met -10.589643	1.00	1.00
Ile Lys Met -9.708	1.00	1.00
Ile Met	3846.00	1.00
Ile Phe	1.00	13895.25
Ile Phe +1.6285	1.00	2292.75
Ile Phe +3.5885	1.00	6218.75
Ile Phe +3.975	11388.33	1.00
Ile Phe +4.059	21566.33	1.00
Ile Phe +4.259	8207.67	1.00
Ile Phe +4.499	1.00	1.00
Ile Phe +4.53	6672.33	1.00
Ile Phe +5.0833335	1.00	1.00
Ile Phe -5.4075	1.00	1.00
Ile Pro Ala	1.00	1.00
Ile Pro Ala +3.415	1.00	1.00
Ile Pro Ala +3.967	1.00	1.00
Ile Pro Ile	1.00	1.00
Ile Ser Glu	1.00	1.00
Ile Ser His	1.00	1.00
Ile Tyr	1.00	1.00
Ile Val Asp	42344.33	8662.00
Ile Val Gln	1.00	1.00
Ile Val Met	1.00	1.00
Ilexolide A	27157.67	25651.00
(-)-Illudin M	1.00	1.00
(-)-Illudin M +5.608	1.00	1.00
Imatinib	1.00	1.00
Imazethapyr	1.00	2823.75
I-Methyl-4-nitro-5-thio-imidazole	1.00	1.00
Imetit	1.00	1.00
Imetit +1.334	4727.67	1.00
Imetit +1.62	1.00	1.00
Imibenconazole	1.00	1.00
Imicyafos	1.00	1.00
Imicyafos -3.93	1.00	1.00
Imidazoleacetic acid	25283.00	1.00
Imidazoleacetic acid +1.0292857	1.00	20666.75
Imidazoleacetic acid -1.3876667	1.00	1.00
Imidazoleacetic acid +2.5875	1.00	1.00
Imidazoleacetic acid -3.403	1.00	1.00
Imidazoleacetic acid +3.411	1.00	9158.25
Immepip	1.00	1.00
Indicaxanthin	1.00	1.00
Indicumenone	1.00	1.00
Indicumenone +5.181	1.00	40315.75
Indicumenone +5.1879997	1.00	1.00
Indinavir	17452.67	19331.50
Indole-3-acetaldoxime N-oxide	1.00	6268.00
Indole-3-acetaldoxime N-oxide +1.398	5122.00	1.00
Indole-3-acetyl-myo-inositol	1.00	1.00
Indole-3-carboxaldehyde	1.00	1.00
Indole-3-carboxaldehyde -5.1705	1.00	1.00
Indole-3-carboxaldehyde +5.640333	1.00	1.00
Indole-3-carboxaldehyde -6.2240005	1.00	1.00
Ingenol 3,20-dibenzoate	1.00	1.00
Inosine	1.00	1.00
Integerrine	1.00	3248.50
Inuline	1.00	1.00
Inumakilactone A glycoside	1.00	1.00
Inumakilactone A glycoside -7.86025	1.00	1.00
Inumakilactone A glycoside +7.882	1.00	1.00
Inumakilactone A glycoside -8.255	1.00	1.00
Inumakilactone A glycoside -8.3377495	1.00	1.00
Inumakilactone A glycoside +8.35	1.00	2100.50
Iopodic acid	9012.00	1.00
Iopodic acid -0.873	1.00	1.00
Ipazine	1.00	3310.75
Ipconazole	1.00	1.00
Ipecac (Psychotrine)	1.00	1.00
Ipecoside	1.00	1.00
Ipratropium	1.00	1.00
Ipriflavone	1.00	1.00
Iprobenfos	1.00	1.00
Iprovalicarb	1.00	4248.25
Iprovalicarb +4.973	1.00	25192.25
Isatidine	1.00	4672.25
Isatin	1.00	1.00
Ismine	1.00	1.00
Isobenzan	1.00	5456.00
Isobenzan -0.884	1.00	1.00
Isobutylmethylxanthine	3962.33	1.00
Isobutylmethylxanthine +3.1845	1.00	1.00
Isobutylmethylxanthine +3.296	1.00	1.00
Isobutylmethylxanthine +3.524	1.00	1.00
Isobutylmethylxanthine +4.05	1.00	1.00
Isobutylmethylxanthine +4.3500004	4747.67	11322.25
Isobutyrylglycine	1.00	1.00
Isocaespitol	1.00	1.00
Isocarbamid	1.00	13086.50
iso-Debromo-laurinterol	47035.33	43323.75
iso-Debromo-laurinterol +3.054	1.00	1.00
iso-Debromo-laurinterol +3.834	6874.33	1.00
iso-Debromo-laurinterol +4.8442	6328.67	6608.50
Isodomoic acid A	20993.67	16415.50
Isodomoic acid A +1.402	1.00	1.00
Isodomoic acid A +1.621	1.00	1.00
Isodomoic acid A +3.429	1.00	5137.50
Isodomoic acid A +3.7535	1.00	1.00
Isodomoic acid A -5.9810004	1.00	1.00
Isodomoic acid A -6.0773335	1.00	1.00
Isodomoic acid A +6.092799	19949.33	25708.25
Isoeugenol	1.00	1.00
Isoferreirin	1.00	6282.00
Isoferulic acid	1.00	1.00
Isoferulic acid -3.6185	1.00	1.00
Isoguanosine	65892.67	27212.75
Isoguanosine +2.8835	1.00	11805.75
Isoguanosine +2.9265	1.00	9355.00
Isoguvacine	6037.00	16512.75
Isoguvacine +1.1	6928.67	1.00
Isonicotineamide	20069.67	1.00
Isonicotineamide +1.3603334	1.00	1.00
Isopentenyladenine-9-N-glucoside	1.00	1.00
Isopentenyl adenosine	1.00	1.00
Isoprene	1.00	21392.75
Isopropalin	1.00	7444.50
Isopropalin +4.592	7905.33	1.00
Isopropenylacetic acid	116861.00	120962.00
Isopropenylacetic acid +1.3870001	1.00	11969.25
Isopropenylacetic acid +3.2966669	30831.00	17209.50
Isopropenylacetic acid -4.0973334	1.00	1.00
Isoproturon	1.00	3358.50
Isoquinoline N-oxide	1.00	1.00
Isoquinoline N-oxide +5.183	1.00	11836.00
Isoquinoline N-oxide +6.2325	1.00	1.00
Isorhamnetin 3-gentiotrioside	1.00	1.00
Isorhamnetin 3-gentiotrioside-7-glucoside	1.00	1.00
Isosakuranetin 5-O-glucoside	1.00	1.00
Isoscutellarein 7,8-dimethyl ether	1.00	1.00
Isoshinanolone	1.00	7196.25
Isouron	1.00	1.00
Isouron +1.211	17680.33	1.00
Isouron +2.042	1.00	1.00
Isouron +2.2705	10396.33	22206.75
Isouron +2.398	26641.67	22364.50
Isoxaben	1.00	1.00
Isoxaben +5.003	1.00	1.00
Isoxaben +5.224	1.00	1.00
isoxsuprine	15668.67	4665.50
Istamycin A2	1.00	1.00
Istamycin AO	108670.00	342143.75
Istamycin AO +5.4799995	1.00	77783.00
Istamycin AO +5.789	24029.00	31861.75
Istamycin C	1.00	5306.00
Istamycin C1	46168.33	577241.25
IU1	1.00	1.00
I-Urobilin	741916.33	3239220.50
I-Urobilin +11.776668	12999.33	16270.75
I-Urobilin +11.865	15131.67	1.00
I-Urobilin +11.907666	21083.33	25342.25
I-Urobilin +11.986751	34588.00	38649.00
I-Urobilin -6.3245997	1.00	1.00
I-Urobilin +6.705	1.00	1.00
I-Urobilin +6.904	1.00	1.00
I-Urobilin +6.974125	5790503.67	9355688.25
I-Urobilin +7.2746	1.00	1.00
I-Urobilin +7.474	1.00	1.00
I-Urobilin +7.7826667	1.00	9401.00
I-Urobilin +8.309	1.00	1.00
I-Urobilin +8.414	1.00	1.00
I-Urobilin +8.77125	1.00	1.00
I-Urobilin +8.945572	15624.00	29206.75
I-Urobilin +9.094	9085.33	17856.50
I-Urobilin +9.125	8437.33	1.00
I-Urobilin +9.218	6730.67	1.00
I-Urobilin +9.242	38051.67	91549.25
Ivermectin B1a	21767.00	22613.50
Ivermectin B1a +11.685	1.00	1.00
Ivermectin B1a +11.733	55226.00	56749.50
Ivermectin B1a +11.734666	1.00	1.00
Ivermectin B1a -7.784	1.00	1.00
Ivermectin B1b	1.00	5026.00
Ivermectin B1b -9.887	1.00	1.00
Jamaicin	1.00	1.00
Janex-1	1.00	8951.50
Janex-1 +3.264	1.00	1.00
JNJ-10198409	1.00	1.00
(-)-Jolkinol A	1.00	2019.25
Juvabione	1.00	1.00
Juvabione +1.3946667	2351.33	1.00
Juvabione +3.8894	1.00	1.00
Juvabione +7.979	1.00	8743.25
JWH 007	1.00	1.00
JWH 018 2-hydroxyindole metabolite	1.00	18064.50
JWH 018 N-(5-hydroxypentyl) metabolite	1.00	1.00
JWH 073 2-hydroxyindole	1.00	1.00
JWH 073 3-methylbutyl homolog	1.00	1.00
JWH 200	1.00	2859.50
JWH 210	1.00	1.00
JZL 184	1.00	1.00
Kaempferol 3-[2Gal-(6^^^-feruloylglucosyl)-robinobioside]	1.00	1.00
Kaempferol 3-(3^^,4^^-diacetylrhamnoside)	1.00	1.00
Kaempferol 3,5,7-trimethyl ether	1.00	1.00
Kaempferol 3,5,7-trimethyl ether -6.0085	1.00	1.00
Kaempferol 3,5,7-trimethyl ether -7.186	1.00	1.00
Kaempferol 3-glucuronide-7-glucoside	22585.67	1.00
Kalihinol A	1.00	15671.50
Kalihinol A +6.1174	1.00	21036.75
Kalkitoxin	1.00	1.00
Kanakugiol	8770.67	9192.50
Kanakugiol +3.476	1.00	1.00
Kanamycin	1.00	1.00
Kanamycin -7.76425	1.00	1.00
Kanamycin -8.1975	1.00	1.00
Kanamycin -9.062333	1.00	1.00
Kanamycin A 3^-phosphate	1.00	1.00
Kanokoside A	1.00	2256.00
Kanokoside A +1.6393334	19208.67	1.00
Kanokoside C	1.00	1.00
Kanokoside D	1.00	36730.75
Kanokoside D +6.9484	27972.67	16196.50
(-)-Kanshone A	15333.33	8334.50
(-)-Kanshone A +10.676333	1.00	3166.75
(-)-Kanshone A +10.746	1.00	1.00
(-)-Kanshone A +4.4560003	5509.00	1.00
(-)-Kanshone A +9.919	1.00	1912.00
Karbutilate	3876.00	1.00
Karbutilate +4.819	4467.33	1.00
Karwinaphthol B	1.00	1.00
Karwinaphthol B +1.616	1.00	1.00
Karwinaphthol B -9.907	1.00	1.00
Ketanserinol	1.00	3444.25
Ketorolac	1.00	5061.00
Ketorolac glucuronide	1.00	1.00
Khellin	1.00	1.00
Khellol glucoside	1.00	9602.75
Kinetin Riboside	1.00	1.00
Kinetin Riboside +1.005	12835.67	4530.00
Kinetin Riboside +1.38	8878.67	1.00
Kinetin Riboside -3.062	1.00	1.00
Kni 102	1.00	1.00
Kni 102 -6.9314003	1.00	1.00
Kni 102 -9.107	1.00	1.00
Kni 102 -9.201	1.00	1.00
Kni 102 -9.23575	1.00	1.00
Kuhlmanniquinol	1.00	1.00
Kukoamine D	12365.00	9698.00
Kukoamine D +4.0275	20532.67	1.00
Kukoamine D +6.202714	11513.33	8174.75
Kukoamine D +6.211	1.00	1.00
Kurilensoside F	1.00	1.00
Kurilensoside G	3945.67	1.00
Kurilensoside J	1.00	1.00
Kushenol V	1.00	5887.50
Kushenol V +4.619	1.00	21326.75
Kushenol V +5.341	1.00	5592.75
Kuwanol D	1.00	1.00
Kuwanol D -11.537001	1.00	1.00
Kuwanol D -11.650625	1.00	1.00
Kuwanone H	1.00	1.00
L-2-Aminoadipate adenylate	1.00	1.00
l-2-hydroxy-decanoic acid	22583.00	19586.75
l-2-hydroxy-decanoic acid +4.8015003	11296.00	5476.50
l-2-hydroxy-decanoic acid +5.096	3606.33	1.00
l-2-hydroxy-decanoic acid -8.111	1.00	1.00
L-2-Methyltryptophan	1.00	1.00
L-365260	1.00	1.00
L-365260 -6.8895006	1.00	1.00
L-365260 -7.232	1.00	1.00
L-365260 -7.323	1.00	1.00
LacCer(d18:1/18:1(9Z))	1.00	1.00
Lacidipine	211736.67	176989.75
Lacidipine +10.554	1.00	1.00
Lacidipine +6.058	7053.00	1.00
Lacidipine +6.122	3079.00	1.00
Lacidipine +6.424	35016.33	1.00
Lactaroviolin	3458.00	1389.50
Lactaroviolin +11.346201	10033.33	6673.75
Lactaroviolin +1.395	2753.67	1.00
Lactitol	1.00	1.00
Lactobionic acid	1.00	1.00
L-Adrenaline	1.00	1.00
L-Adrenaline +1.394	4378.00	1.00
L-Adrenaline +1.395	1.00	7379.75
L-Adrenaline +4.281	1.00	5560.50
L-Adrenaline +5.202	1.00	12668.25
L-Adrenaline +5.244	1.00	14166.25
L-Alanine, N-propyl-	3038563.67	4663250.00
L-Alanine, N-propyl- +1.1217144	100911.00	26289.50
L-Alanine, N-propyl- +1.3926667	1.00	9477.75
L-Alanine, N-propyl- +1.9420003	354848.67	129833.00
L-Alanine, N-propyl- -1.9511999	1.00	1.00
L-Alanine, N-propyl- -1.9890001	1.00	1.00
L-Alanine, N-propyl- +2.0010004	383200.33	228559.75
L-Alanine, N-propyl- -2.2551665	1.00	1.00
L-Alanine, N-propyl- +2.2664669	841491.00	600977.00
L-Alanine, N-propyl- -2.274	1.00	1.00
L-Alanine, N-propyl- +3.626727	56130.67	36442.00
L-Alaninol	1.00	1.00
L-Alaninol +3.328	1.00	1.00
L-alpha-Acetyl-N,N-dinormethadol	1.00	1.00
L-alpha-glutamyl-L-hydroxyproline	1.00	1.00
lambda Isostearic acid	1.00	1.00
lambda Isostearic acid -13.719	1.00	1.00
lambda Isostearic acid -14.18075	1.00	1.00
Lanceotoxin A	1.00	5525.00
Lanceotoxin A -8.815	1.00	1.00
Lanceotoxin A -8.984	1.00	1.00
Lanceotoxin A +8.993	1.00	3923.25
Lanceotoxin B	1.00	2712.00
Lanceotoxin B -6.664	1.00	1.00
Lanceotoxin B -6.734	1.00	1.00
Lanceotoxin B +6.865	1.00	2773.00
Lanceotoxin B +7.138	1.00	5090.50
Lappaol A	1.00	1.00
Lappaol C	13441.67	1.00
Lappaol C +3.527	4668.33	1.00
Lappaol C +3.5609999	4141.33	1.00
L-Arginine phosphate	19130.33	1.00
L-Arginine phosphate -3.426	1.00	1.00
L-Arginine phosphate -3.7166	1.00	1.00
L-Arginine phosphate +5.2795	1.00	1.00
L-Arogenate	1.00	2170.25
Laserpitin	1.00	4278.50
Laserpitin +5.646	3292.00	1.00
Laserpitin +6.225	2751.33	1.00
Laserpitin +6.633	6291.67	1.00
Laserpitin +6.972	6519.00	1.00
L-Asp(4-L-Arg)	3397.00	1.00
L-Asp(4-L-Arg) +3.621	1.00	1.00
L-Asparagine	3135.00	1.00
Latrunculin B	1.00	1.00
Laurencione diacetate	1.00	1.00
Laurencione diacetate +1.413	1.00	1.00
Laurencione diacetate -1.7315	1.00	1.00
Laurencione diacetate -1.7865	1.00	1.00
Laurencione diacetate +3.838	1.00	3583.75
Lauroylcarnitine	1.00	3447.25
Lauroylcarnitine +12.151	1.00	1751.75
Lauroyl-CoA	1.00	1.00
Lauryl hydrogen sulfate	1.00	1.00
Laxiflorin	1.00	1.00
L-Dopa	8569.67	12310.50
L-Dopa +2.001	3899.67	1.00
Lecanoric acid	1.00	1.00
Lentiginosine	1.00	1.00
Lentiginosine +0.974	1.00	1.00
Lentiginosine +1.4033333	13896.67	16007.75
Lentiginosine +1.4363333	1.00	20432.25
Lentiginosine +1.6305	1.00	11247.00
Lentiginosine +4.3164997	1.00	1.00
Lentiginosine +4.9998336	1.00	10022.75
Lentiginosine +5.01	1.00	1.00
Leontiformine	8439.67	1.00
Leonuridine	1.00	1.00
Leonuridine +1.399	1.00	1.00
Leonurine	1.00	1.00
Lepidissipyrone	1.00	1.00
Leptophos	1.00	1.00
Leptophos +0.8833334	1.00	1.00
Lespedezaflavanone G	2734.67	1.00
Letrozole	1.00	1.00
Letrozole +4.735	1.00	1.00
Leu Ala	83250.33	45226.75
Leu Ala +1.3920001	84024.33	11976.50
Leu Ala +1.6496668	35253.33	5307.00
Leu Ala +3.163	19674.67	1.00
Leu Ala +3.269	12903.00	1.00
Leu Ala -3.6075	1.00	1.00
Leu Ala +3.617667	69937.33	9948.00
Leu Ala +3.812	12945.33	1.00
Leu Ala +5.353	14249.33	4617.50
Leu Ala Glu	1.00	1.00
Leu Ala Glu +3.618	1.00	1.00
Leu Ala Glu +3.837	1.00	1.00
Leu Ala Glu +4.138	1.00	1.00
Leu Ala His	1.00	1.00
Leu Ala His +1.392	7072.67	1.00
Leu Ala His +1.3924999	16475.67	5144.50
Leu Ala His +5.233	41060.00	1.00
Leu Ala His +6.52	1.00	4618.00
Leu Arg Glu	1.00	1.00
Leu Asp	1.00	1.00
Leu Asp -1.3889999	1.00	1.00
Leu Asp +1.625	11520.67	1.00
Leu Asp +3.69	6200.33	1.00
Leu Asp -3.8285	1.00	1.00
Leu Asp +4.342	1.00	1.00
Leu Asp Ala	1.00	1.00
Leu Asp Glu	1.00	1.00
Leucodelphinidin 3-O-alpha-L-rhamnopyranoside	1.00	1.00
Leucodelphinidin 4-O-[2,4-bisgalloyl-6-(3-galloylgalloyl)-be...	1.00	1.00
Leucomethylene blue (Reduced Methylene Blue)	1.00	3490.00
Leucomethylene blue (Reduced Methylene Blue) +5.768	1.00	25828.25
Leucomycin A1	1.00	1.00
Leucomycin A3	1.00	1.00
Leucomycin A5	1.00	1.00
Leucomycin A7	1.00	1.00
Leucomycin V	1.00	1.00
Leucyl-leucine	73929.00	14093.75
Leucyl-leucine -4.588	1.00	1.00
Leucyl-leucine -4.757	1.00	1.00
Leucyl-leucine +4.770833	47709.00	13754.50
Leucyl-leucine -4.849	1.00	1.00
Leucyl-leucine +5.033	14645.33	1.00
Leu Glu Leu	1.00	1.00
Leu Glu Thr	1.00	1.00
Leu Gly	10628.00	1.00
Leu His Thr	1.00	8177.00
Leu Ile Asp	1.00	1.00
Leu Ile Asp +3.936	1.00	1.00
Leu Ile Asp +4.666	1.00	1.00
Leu Ile Asp -4.741	1.00	1.00
Leu Ile Asp +4.758	1.00	1.00
Leukotriene D4 methyl ester	1.00	1.00
Leukotriene E3	1.00	1.00
Leukotriene E3 -6.533	1.00	1.00
Leukotriene E4 methyl ester	44285.67	1.00
Leukotriene E4 methyl ester +7.804	22637.33	1.00
Leukotriene F4	1.00	1.00
Leukotriene F4 -6.9280005	1.00	1.00
Leukotriene F4 -9.102	1.00	1.00
Leukotriene F4 -9.199	1.00	1.00
Leukotriene F4 -9.235	1.00	1.00
Leu Lys Leu	1.00	1.00
Leu Lys Leu +3.628	1.00	1.00
Leu Phe Arg	1.00	1.00
Leu Phe Arg -6.807	1.00	1.00
Leu Phe Arg -7.286	1.00	1.00
Leuprolide	1.00	1.00
Leuprolide -9.186	1.00	1.00
Leu Pro Phe	1.00	1.00
Leu Ser Gln	1.00	1.00
Leu Thr Ala	1.00	1.00
Leu Thr Ala -3.71	1.00	1.00
Leu Thr Pro	1.00	1.00
Leu Thr Thr	1.00	1.00
Leu Thr Thr -3.521	1.00	1.00
Leu Thr Thr +3.661	1.00	1.00
Leu Thr Thr -9.453813	1.00	1.00
Leu Thr Trp	1.00	1.00
Leu Val Gly	4907.67	1.00
Leu Val Gly -3.652	1.00	1.00
Leu Val Gly +4.696	1.00	1.00
Leu Val Gly +4.781	1.00	1.00
Leu Val His	1.00	1.00
Levetiracetam	8114.67	1.00
Levetiracetam +1.071	9124.67	1.00
Levetiracetam +3.52	1.00	1.00
Levetiracetam +3.8545	11135.00	1.00
Levoamine (Chloramphenicol D base)	1.00	16835.25
Levoamine (Chloramphenicol D base) -3.223	1.00	1.00
Levofloxacin	1.00	1.00
Levofuraltadone	1.00	1.00
Levofuraltadone +1.186	1.00	1.00
Levofuraltadone +1.362	6087.33	1.00
Levofuraltadone +1.618	6925.67	1.00
Lewis a trisaccharide	1.00	1.00
Lewis a trisaccharide -1.616	1.00	1.00
L-gamma-glutamyl-L-isoleucine	1.00	2572.50
L-gamma-glutamyl-L-isoleucine +3.1086	19658.33	1.00
L-gamma-glutamyl-L-isoleucine +3.709	88849.67	18710.75
L-gamma-glutamyl-L-isoleucine -3.8625	1.00	1.00
L-gamma-glutamyl-L-isoleucine +3.8785	49945.67	1.00
L-gamma-glutamyl-L-valine	27093.00	12147.25
L-Glutamic acid dibutyl ester	9249.00	15183.25
L-Glutamic acid n-butyl ester	15724.33	1.00
L-Glutamic acid n-butyl ester +1.1405001	5259.33	7135.50
L-glycyl-L-hydroxyproline	1.00	1.00
L-Histidinal	19756.33	13693.25
L-Histidine	253530.00	101284.50
L-Histidine +1.503	1.00	1.00
L-Histidinol	587257.00	1.00
L-Histidinol -1.356	1.00	1.00
L-Homotyrosine	15701.33	19290.50
L-Homotyrosine -10.097188	1.00	1.00
L-Homotyrosine -10.2	1.00	1.00
L-Homotyrosine +1.177	1.00	1.00
L-Homotyrosine +1.6335	5281.33	6111.00
L-Homotyrosine +2.433	1.00	1.00
L-Homotyrosine +3.0435712	1.00	99772.25
L-Homotyrosine +3.1486	1.00	1.00
L-Homotyrosine +3.2015	1.00	1.00
L-Homotyrosine +3.38	1.00	1.00
L-Homotyrosine +3.6599998	1.00	1.00
L-Homotyrosine -4.158	1.00	1.00
L-Homotyrosine +4.17	1.00	26399.25
Licarin A	1.00	1.00
Licorice glycoside D2	1.00	1.00
Licoricidin	1.00	9432.25
L-Iditol	1.00	1.00
L-Iditol +1.397	1.00	1.00
Limonene-1,2-epoxide	9519.33	29511.00
Limonene-1,2-epoxide +10.128	4729.33	1.00
Limonoate	1.00	3947.50
Linatine	1.00	4951.25
Lincomycin	1.00	1536.00
Lincomycin +4.924	1.00	1.00
Lindenenone	1.00	1.00
Lindenenone +1.189	1.00	1776.50
Lindenenone +1.35125	1.00	4398.25
Lindenenone +3.525	1.00	1.00
Linezolid	1.00	4353.75
Linoleamide	15121.33	10740.50
Linoleamide +8.644	1.00	1.00
Linoleic Acid-biotin	1.00	1.00
Linoleoyl Ethanolamide	15249.33	4366.25
Linopirdine	1.00	1.00
Linopirdine +4.558666	37403.33	5148.75
lipoamide	5922.33	3438.50
Lipoic acid, reduced	1.00	1.00
Lipoic acid, reduced -1.086	1.00	1.00
Liquiritigenin 7-apiofuranoside-4^-glucoside	1.00	1.00
Lisinopril	1.00	989688.50
Lisinopril -4.448	1.00	1.00
L-isoleucyl-L-proline	1.00	1.00
L-isoleucyl-L-proline +1.0176667	125766.67	1.00
L-isoleucyl-L-proline +1.089	568825.00	1.00
L-isoleucyl-L-proline +1.6225	1151201.67	2979.75
L-isoleucyl-L-proline +3.361	4843.33	1.00
L-isoleucyl-L-proline +3.835714	60234.67	10402.50
L-isoleucyl-L-proline +3.9452	12764.33	1.00
L-isoleucyl-L-proline -3.956	1.00	1.00
L-isoleucyl-L-proline +3.9987998	266883.33	113345.75
L-isoleucyl-L-proline -4.0798	1.00	1.00
L-isoleucyl-L-proline +4.1059165	250929.00	146072.75
Lisuride	1.00	1.00
Lisuride -11.095668	1.00	1.00
Lithocholate 3-O-glucuronide	6595.33	1.00
Lithocholate 3-O-glucuronide -7.57	1.00	1.00
Lithocholate 3-O-glucuronide -7.6208	1.00	1.00
Lithocholate 3-O-glucuronide -7.807571	1.00	1.00
Lithocholic acid glycine conjugate	65433.67	23796.25
lithocholic acid sulfate	1.00	1.00
lithocholic acid sulfate +5.5806	1.00	56729.25
lithocholic acid sulfate +5.6832504	1.00	359577.00
lithocholic acid sulfate +5.6906	27863.67	1.00
lithocholic acid sulfate +5.831	1.00	6534.25
lithocholic acid sulfate -8.729143	1.00	1.00
lithocholic acid sulfate -9.106	1.00	1.00
Lithospermoside	1.00	1487.50
L-Lysine	1.00	13933.75
L-Methionine	1.00	1.00
L-NIO	1.00	1.00
L-NIO +3.135	1.00	1.00
Lobeline	1.00	1.00
Lochnerinine	1.00	3369.25
Lochnerinine +6.828	1.00	1.00
Loganic Acid	1.00	1.00
L-O-Methylthreonine	1.00	12572.00
L-O-Methylthreonine +0.96936363	53398.33	51553.75
L-O-Methylthreonine +1.01875	28501.33	9972.25
L-O-Methylthreonine +1.169	1.00	1708.25
L-O-Methylthreonine +1.3824999	1.00	10126.75
Lomustine	1.00	1.00
Lomustine +1.35	1.00	1.00
Lonchocarpenin	1.00	1.00
Lonchocarpenin -7.762	1.00	1.00
Lonchocarpenin -8.1995	1.00	1.00
Lonicerin	1.00	1.00
Loperamide	1.00	1.00
Lophophorine	5046.00	29607.00
Lophophorine +1.123	8269.00	1.00
Lophophorine +1.396	1.00	4158.25
Lophophorine +1.619	1.00	1.00
Lophophorine +3.149	1.00	3199.75
Lophophorine +3.5040002	95740.33	30881.00
Lophophorine +3.728	1.00	1.00
Lopinavir	1.00	1.00
Loroxanthin ester/ Loroxanthin dodecenoate	1.00	1.00
Loroxanthin ester/ Loroxanthin dodecenoate -10.588	1.00	1.00
Losartan	1.00	1.00
LPA(0:0/16:0)	1.00	1.00
L-Phenylalanine n-butyl ester	16120.33	1.00
L-Phenylalanine n-butyl ester +3.3785	1.00	1.00
L-Prolinamide	7531.67	1.00
L-Prolinamide +1.4000001	68712.33	1.00
L-prolyl-L-glycine	656106.33	131363.25
L-prolyl-L-glycine +1.117	1.00	1.00
L-prolyl-L-glycine +1.332	1.00	14339.25
L-prolyl-L-glycine +1.3445001	1.00	5130.25
L-prolyl-L-proline	22575.33	10990.00
L-prolyl-L-proline +1.0304999	6025.00	1.00
L-prolyl-L-proline +3.071	1.00	1.00
L-prolyl-L-proline +3.5625	1.00	22727.25
L-prolyl-L-proline +3.566	1.00	1.00
L-Pyrrolysine	1.00	5839.50
L-Pyrrolysine +3.823	12774.67	1.00
(L-Seryl)adenylate	1.00	1.00
L-Threo-2-pentulose	1.00	1.00
L-Tryptophan	1.00	1.00
L-Tyrosine, 3-methoxy-a-methyl-, hydrogen sulfate	1.00	1.00
Lubimin	1.00	4364.25
Lubimin +8.343	1.00	3522.25
Lucidone	1.00	1.00
Luffariellolide	1.00	1840.75
Lumichrome	1.00	1.00
Lumichrome -1.6136667	1.00	1.00
Lumula	14329.00	1.00
Lumula +10.609615	874094.67	417761.75
Lumula +9.248	1.00	1.00
Lupanyl Acid	1.00	1.00
Lupinate	1.00	1.00
Lupulone	1.00	1.00
Lupulone -10.3965	1.00	1.00
Lupulone -10.566	1.00	1.00
Lupulone -10.591091	1.00	1.00
Lupulone +10.6074	36217.67	114378.75
Lupulone -9.2325	1.00	1.00
Lupulone -9.66325	1.00	1.00
Lupulone +9.726334	34459.00	12475.25
L-Urobilin	653427.33	1003499.25
L-Urobilin +6.668	1.00	1.00
L-Urobilin +6.727	1.00	1.00
L-Urobilin +6.957091	31762.00	1845402.75
L-Urobilin +7.9715	1.00	1.00
L-Urobilin +9.124333	19483.67	3962.00
L-Urobilin -9.252	1.00	1.00
L-Urobilinogen	13894.00	1.00
L-Urobilinogen +8.00525	1.00	1.00
L-Urobilinogen -8.039666	1.00	1.00
L-Urobilinogen +8.056	1.00	1.00
L-Urobilinogen +8.0564995	1.00	2628.50
L-Urobilinogen -9.237285	1.00	1.00
L-Urobilinogen +9.254001	1.00	313567.25
Lusitanicoside	17785.00	9205.00
LY255283	1.00	1.00
LY255283 +11.94	10394.67	10653.25
LY255283 +13.442374	10034.33	1524.00
LY255283 +13.443	1.00	3075.50
LY255283 +13.733571	2555.00	10484.25
LY255283 +14.1015	2201.33	1.00
LY255283 +7.557	1.00	1.00
LY255283 +8.266	1.00	1.00
LY364947	4156.33	1.00
LY395153	1.00	1.00
Lycocernuine	7356.33	1.00
Lycofawcine	1.00	1.00
Lycomarasmine B	1.00	1.00
Lycopsamine	1.00	1.00
Lycorine	1.00	1.00
Lycorine +3.308	1.00	1.00
Lycorine +3.908	1.00	1.00
Lycorine +4.3245	1.00	1.00
Lyngbyatoxin	15614.67	16263.50
Lyngbyatoxin +5.9008	1.00	10900.25
Lyngbyatoxin +5.92225	36269.67	21307.75
Lys-Abu-OH	1.00	1.00
Lys Ala Gly	1.00	1.00
Lys Ala Leu	1.00	1.00
Lys Ala Leu +11.356	1.00	1.00
Lys Arg	1.00	1.00
Lys Arg +5.514	1.00	11329.25
Lys Asn	1.00	1.00
Lys Asn +1.399	1.00	1.00
Lys Glu Glu	4657.00	1.00
Lys Gly	1.00	7671.50
Lys Gly +1.6235001	1.00	1.00
Lys Gly +4.152	1.00	1.00
Lys Gly Arg	2737.67	5189.75
Lys Gly Val	1.00	1.00
Lys His	3574.67	1.00
Lys His Asn	5200.33	1.00
Lys His Lys	1.00	1.00
Lys His Lys -6.708	1.00	1.00
Lys His Lys -7.76425	1.00	1.00
Lys His Thr	1.00	1.00
Lys His Trp	1.00	1.00
Lysine	1.00	1.00
Lysine +0.948	41683.33	14403.25
Lys Leu	12225.00	5977.75
Lys Leu +0.934	8627.67	1.00
Lys Leu +1.369	4981.33	1968.25
Lys Leu +1.623	1.00	1.00
Lys Leu +2.261	1.00	1.00
Lys Leu Thr	1.00	1.00
Lys Lys	1.00	1.00
Lys Lys +4.455	10052.67	1.00
Lys Lys Cys	1.00	1.00
Lys Lys Cys +7.789	1.00	1.00
Lys Lys Lys	122073.67	239460.00
Lys Lys Lys +13.0252495	125344.00	1.00
Lys Lys Lys +13.068001	1.00	4064.25
Lys Lys Lys +13.122	3681.67	1.00
Lys Lys Met	191490.00	180918.50
Lys Lys Met +6.0915995	46256.00	1.00
Lys Lys Ser	1.00	7372.00
Lys Lys Trp	1.00	1.00
Lys Lys Trp -10.396	1.00	1.00
Lys Lys Trp -10.5895	1.00	1.00
Lys Lys Trp -9.258333	1.00	1.00
Lys Lys Trp -9.660001	1.00	1.00
Lys Lys Trp -9.709167	1.00	1.00
Lys Met Lys	17451.33	1.00
Lys-Nap-OH	1.00	1695.25
Lys-Nap-OH +1.6275	3078.67	1.00
LysoPE(0:0/16:0)	1.00	1.00
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	1.00	12347.75
Lys Phe Gln	1.00	1.00
Lys Phe Tyr	1.00	1.00
Lys Pro	1.00	1.00
Lys Pro +1.0523334	19852.67	1.00
Lys Pro +1.1206	22943.00	14850.50
Lys Pro Asp	3202.67	1.00
Lys Pro Val	1.00	1.00
Lys Ser	3829.33	10562.00
Lys Ser Pro	1.00	1.00
Lys Ser Pro +4.036	1.00	1.00
Lys Tyr	1.00	1.00
Lys Tyr +1.621	3775.33	1.00
Lys Tyr +3.325	6127.33	1.00
Lys Tyr +3.359	8887.00	1.00
Lys Tyr Gly	1.00	10140.50
Lys Tyr Gly +4.475	1.00	17402.50
Lys-Val-OH	1.00	1.00
Lys-Val-OH +1.3976666	6315.00	1.00
Lys-Val-OH +3.818	1.00	1.00
Lys Val Val	1.00	1.00
M 344	1.00	1.00
M 344 +11.351334	1.00	3490.00
M 344 +3.863	1.00	11539.75
M 344 +4.715667	11413.33	1.00
Macaflavone II	3858.00	3105.75
Machaerol C	1.00	1.00
Macrophylline	1.00	6021.00
Macrophylline +3.53	1.00	1.00
Maculosin	1.00	1959.75
Maculosin +3.618	1.00	5064.75
Maculosin +4.484	1.00	1.00
Maculosine	1.00	1.00
Maculosine +5.659	1.00	1.00
Maculosine -6.6380005	1.00	1.00
Madecassic Acid	1.00	3006.75
Madecassic Acid -6.944778	1.00	1.00
Madecassic Acid +7.336	1.00	1.00
Madecassic Acid +8.301	1.00	1.00
Magnoshinin	1.00	1.00
Magnoshinin +10.555	1.00	5545.25
Magnoshinin -6.6416664	1.00	1.00
Magnoshinin -6.7798004	1.00	1.00
Magnoshinin -7.184	1.00	1.00
Magnoshinin -7.444	1.00	1.00
Mahanimbine	1.00	1.00
MAHMA NONOate	1.00	1.00
Makisterone A	1.00	4320.25
Makisterone A +8.408	1.00	1.00
Makisterone A +9.737	1.00	1.00
Maleamic acid	11705.00	1.00
Maleic hydrazide	1.00	5161.50
Maleic hydrazide -1.047	1.00	1.00
Maleic hydrazide -1.3673999	1.00	1.00
Malic acid	1.00	1.00
Mallotophenone	1.00	5175.50
Malonaldehyde	1.00	1.00
Maltotriitol	1.00	1.00
Malyngamide C	1.00	8128.00
Malyngamide H	1.00	14893.00
Malyngamide H +10.6234	1.00	1.00
Malyngamide H +14.048874	263092.67	283127.00
Malyngamide H +14.0965	1.00	1.00
Malyngamide H +9.359	1.00	1.00
m-Aminophenol	1.00	29697.75
m-Aminophenol +1.2426667	2600.67	1.00
Mandelonitrile	1.00	41314.50
Mandipropamid	1.00	1.00
Mannosyl-1beta-phosphomycoketide C34	1.00	1.00
Mannosyl-1beta-phosphomycoketide C34 -10.595201	1.00	1.00
Maprotiline glucuronide	12674.33	1.00
Maprotiline glucuronide +6.191	31257.67	1.00
Mazindol	1.00	1.00
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid	465350.67	454329.75
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid +...	1.00	1.00
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid +...	1.00	1.00
MC-207,110	1.00	1.00
MC-207,110 +7.7816663	1.00	2231.25
MC-6063	13778.33	1.00
m-Chlorophenylbiguanide	1.00	1.00
MCI-186	1.00	1.00
MDL 74156 glucuronide	1.00	1.00
MDL 74156 glucuronide +4.877	1.00	12364.00
Mebendazole metabolite (1H-Benzimidazole-5-methanol, 2-amino...	1.00	8379.75
Mebendazole metabolite (2-Amino-5-benzoylbenzimidazole)	6017.67	1.00
Mebeverine	1.00	1.00
Mebrofenin	1.00	1.00
Mebrofenin -6.392	1.00	1.00
Mecarbinzid	1.00	1.00
Medroxyprogesterone glucuronide	1.00	7078.00
Medroxyprogesterone glucuronide +7.773	1.00	7546.75
Mefenacet	1.00	7205.25
Mefenacet +5.962	1.00	22315.50
Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, 1-[2-[...	1.00	6932.00
Mefexamide	1.00	1.00
Mefexamide +4.391	1.00	1.00
Mefloquine	1.00	1.00
Mefloquine -1.3889999	1.00	1.00
Mefruside	1.00	1.00
MeIQ	1.00	1.00
MeIQ +3.723	1.00	1.00
MeIQ +3.856	1.00	1.00
MeIQ +3.877	1.00	1.00
MeIQ +4.183	1.00	1.00
MeIQx	1.00	1.00
MeIQx +1.404	1.00	1.00
Melibiitol	6720.00	1.00
Melithiazole E	1825.33	1.00
Mellitoxin	1.00	1.00
Melochinone	13063.33	13194.00
Melochinone +5.0765	1.00	2720.25
(-)-menthyl beta-D-glucoside	1.00	1.00
Mepanipyrim	1.00	1.00
Mepanipyrim +2.633	12148.67	1.00
Meperidine N-oxide	1.00	3185.25
Meperidine (pethidine)	1.00	1.00
Meperidine (pethidine) +5.171	1.00	1.00
Meperidinic acid	1.00	7858.50
Meperidinic acid glucuronide	1.00	1.00
Mephenesin	11451.33	23061.50
Mephenesin +1.628	1.00	1.00
Mephenesin -5.374875	1.00	1.00
Meptazinol	5509.67	6903.75
Meradimate	1090023.00	1073706.00
Mercaptoacetyl-Phe-Leu	1.00	1.00
Mesaconitine	1.00	1.00
Mesaconitine -9.071	1.00	1.00
Mesaconitine -9.243	1.00	1.00
Mescaline	1.00	27247.25
Mescaline +1.217	1.00	1.00
Mescaline +6.805	1.00	1.00
Mesobilirubinogen	385649.00	116040.50
Mesobilirubinogen +11.68575	7306.00	5687.25
Mesobilirubinogen +11.8145	19654.00	17707.25
Mesobilirubinogen +11.877	1.00	1.00
Mesobilirubinogen +6.8195	1.00	1.00
Mesobilirubinogen +7.06	1.00	3994.00
Mesobilirubinogen +7.421	1.00	1.00
Mesobilirubinogen +8.349	1.00	3237.25
Mesobilirubinogen -9.084714	1.00	1.00
Mesobilirubinogen +9.100875	557176.67	1090405.75
Mesobilirubinogen -9.11	1.00	1.00
Mesobilirubinogen +9.122	1.00	518371.25
Mesobilirubinogen +9.18825	231878.00	1928355.00
Mesobilirubinogen +9.236	1.00	1.00
Mesobilirubinogen +9.248199	1948599.00	902752.50
Mesoporphyrin IX	1.00	1.00
Mesoporphyrin IX -11.767	1.00	1.00
Mesoporphyrin IX -11.896	1.00	1.00
Mesoporphyrin IX -11.975	1.00	1.00
Mesoporphyrin IX -6.894	1.00	1.00
Mesoporphyrin IX -7.733	1.00	1.00
Mesoporphyrin IX -8.035	1.00	1.00
Met-Abu-OH	1.00	1.00
Metabutethamine	1.00	1.00
Metabutethamine +1.576	1.00	62624.25
Metabutethamine +1.629	1.00	153422.00
Metabutethamine +2.992	1.00	6926.25
Metabutethamine +3.86	1.00	1.00
Metabutethamine +3.882	1.00	1.00
Metabutethamine +4.1324005	19144.67	1.00
Metabutethamine +4.586	1.00	1.00
Met Ala	5086.67	1.00
Metalaxyl	1.00	1.00
Metalaxyl +3.848	1.00	1.00
Metalaxyl +3.974	1.00	1.00
Metalaxyl +4.737	1.00	1.00
Metalaxyl +5.02	30285.00	1.00
Metalaxyl +5.496	1.00	6693.00
Metalaxyl-M	1.00	1.00
Metalaxyl-M +4.203	1.00	1.00
Metalaxyl-M +4.486	1.00	1.00
Metamitron	22395.33	1.00
Metamitron +3.164	1.00	1.00
Metamitron +3.4145715	16784.67	14552.25
Metamitron +3.6437502	1.00	39063.50
Metamitron +3.8241997	31227.00	10124.00
Metamitron +4.581	1.00	1.00
Metamitron +5.041	1.00	4600.50
Metanephrine	1.00	1.00
Metanephrine +5.082	1.00	1.00
Metanephrine +5.107	1.00	1.00
Met Arg Pro	1.00	1.00
Met Asn His	1.00	1.00
Met Asn His -3.026	1.00	1.00
Met Asn His -4.439	1.00	1.00
Met Asn His -7.684	1.00	1.00
Met Cys Lys	1.00	1.00
Meteloidine	31297.33	29497.00
Meteloidine +3.5654998	1.00	1.00
Meteloidine +4.855	1.00	1.00
Met Gln Gln	8770.33	1.00
Met Gly Cys	1.00	1.00
Met-Gly-OH	1.00	1.00
Met Gly Tyr	1.00	76619.50
Methacholine	17294462.33	8266644.50
Methacholine +4.609	2157.33	1.00
(-)-Methallenestrilphenol	1.00	1.00
(-)-Methallenestrilphenol +1.6270001	1.00	1.00
(-)-Methallenestrilphenol +4.569	1.00	1.00
Methanesulfonic acid	1.00	1.00
?methasone valerate	6742.33	1.00
?methasone valerate +7.0387993	70006.67	15463.50
?methasone valerate -8.044001	1.00	1.00
Methdilazine	1.00	1.00
Methenolone	1.00	1.00
Methenolone +11.256	2703.67	1.00
Methenolone +8.988	1.00	1329.50
Methicillin	1.00	1.00
Methionine	1.00	1.00
Methiothepin	1.00	1.00
Met His Gln	1.00	1.00
Met His Met	1.00	1.00
Met His Met -1.5935	1.00	1.00
Methitural	1.00	1.00
Methitural -1.614	1.00	1.00
Methitural -3.161	1.00	1.00
Methitural -4.706	1.00	1.00
Methitural +4.717	1.00	53349.75
Methocarbamol	1.00	1.00
Methocarbamol +3.1935	1.00	6061.75
Methocarbamol +4.77	1.00	1.00
Methoprotryne	1.00	1.00
Methoprotryne +5.237334	1.00	28111.25
Methotrimeprazine	1.00	1.00
Methoxyfenozide	1.00	1.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	1.00	3865.75
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside	1.00	1.00
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside -0.925	1.00	1.00
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +0.931	1.00	1.00
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +4.809	1.00	1.00
Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside +5.284	1.00	1.00
methyl 2-benzamidoacetate	1.00	1.00
Methyl 4-chloro-3-sulfamoylbenzoic acid	1.00	1.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	375571.33	313223.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	1.00	1.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	3170.67	6910.50
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	1.00	1.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	1.00	1.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	1.00	1.00
methyl 9,10-epoxy-12,15-octadecadienoate	13140.67	12274.00
methyl 9,12-dihydroxy-13-oxo-10-octadecenoate	3067.00	1.00
methyl 9,12-dihydroxy-13-oxo-10-octadecenoate +11.543	4427.00	1.00
Methyl acetate	5177.33	1.00
Methyl acetate -1.858	1.00	1.00
Methyl acetyl ricinoleate	6599.00	10792.00
Methyl acetyl ricinoleate +11.834	5251.00	1.00
Methyl acetyl ricinoleate +12.089	1.00	3000.00
Methylcarbamyl PAF C-8	1.00	1.00
Methyldopate	1.00	1.00
Methyldopate +1.2066666	1.00	1.00
Methyldopate +1.4000001	1.00	1.00
Methyldopate +1.618	1.00	1.00
Methyldopate +3.0935001	1.00	1.00
Methyldopate +3.876	1.00	1.00
Methyldopate -4.085	1.00	1.00
Methyldopate +4.2133336	1.00	1.00
Methyldopexamine sulfate	1.00	11069.00
Methyl Gamboginate	1.00	1.00
Methyl jasmonate	1.00	1.00
Methyl jasmonate +3.798	10335.33	1.00
Methylmethionine sulfonium salt	1.00	6454.00
Methylmethionine sulfonium salt +1.6495	7523.33	10203.25
Methylmethionine sulfonium salt +3.107	1966.33	1.00
Methyl o-methoxyhippuric acid	1.00	1.00
Methylone	1.00	11579.50
Methyl Orsellinate	1.00	1.00
Methyl Orsellinate -5.096	1.00	1.00
Methyl oxalate	55871.00	1.00
Methyl oxalate +1.843	2723.00	1.00
Methylphenidate	1.00	1.00
Methylphenidate +1.6365	1.00	1.00
Methylphenidate +3.175	1.00	1.00
Methylphenidate +4.716	1.00	1.00
Methylprednisolone succinate	1.00	1.00
Methylselenopyruvate	1.00	1.00
Methylsuccinic acid	18979.00	18959.75
Methylsuccinic acid +1.0386666	6225.00	1.00
Methylsuccinic acid -1.653	1.00	1.00
Methylsynephrine	1.00	1.00
Methylthiobenzoylglycine	1.00	1.00
Methylthiobenzoylglycine +1.792	1.00	1.00
Methylthiouracil	1.00	35820.75
Metipranolol	9924.33	16891.00
Met Met	1.00	8587.00
Met Met Arg	1.00	1.00
Metochlopramide	1.00	1.00
Metochlopramide +3.584	1.00	1.00
Metochlopramide +6.628	27845.33	1.00
Metoprolol acid	1.00	1.00
Metoprolol acid +1.269	1.00	1.00
Metoprolol acid +3.1399999	1.00	1.00
Metoprolol acid +3.82	1.00	1.00
Metoprolol acid +4.5475	1.00	1.00
Met Pro Met	3522.00	1.00
Metribuzin	1.00	1.00
Met-Ser-OH	1.00	1.00
Met Tyr Leu	29841.67	1.00
Metyrapol	7656.00	1.00
Mexacarbate	42368.33	1.00
Mexacarbate +3.4362	19959.33	1.00
Mexacarbate +3.606	1.00	1.00
Mexacarbate +3.609	1.00	1.00
Mexacarbate +3.879	1.00	1.00
Mezerein	1.00	1.00
Mezerein -3.7793334	1.00	1.00
Mezerein -3.95	1.00	1.00
MG(0:0/18:0/0:0)	17313.00	83445.75
MG(0:0/18:0/0:0) +13.7345	936808.00	2690109.00
MG(16:0/0:0/0:0)[rac]	204411.00	430431.25
MG(16:0/0:0/0:0)[rac] -13.109	1.00	1.00
MG(16:1(9Z)/0:0/0:0)	1.00	1.00
MG(16:1(9Z)/0:0/0:0) +12.699333	3585.33	2865.50
MG(16:1(9Z)/0:0/0:0) -12.7560005	1.00	1.00
MG(16:1(9Z)/0:0/0:0) +12.767072	8936.67	11457.75
MG(16:1(9Z)/0:0/0:0) +12.8645	2027.33	5287.00
MG(18:1(9Z)/0:0/0:0)	41301.67	40979.25
MG(20:0/0:0/0:0)	1.00	10548.75
MG(20:1(11Z)/0:0/0:0)	74165.67	69447.25
MG(22:1(13Z)/0:0/0:0)	20425.00	18139.75
MGDG-O(16:3(7Z,10Z,13Z))	5572.67	1.00
MGK 264	9496.67	14417.00
M-Hydroxydesmethylgliquidone	1.00	1.00
Miconazole	1.00	1.00
Miconazole -4.637	1.00	1.00
Microcystin RA	1.00	1.00
Microlenin	1.00	1.00
Microlenin -7.2565002	1.00	1.00
Microlenin -7.455	1.00	1.00
Microlenin -7.5497503	1.00	1.00
Microlenin -7.634	1.00	1.00
Microlenin -7.757	1.00	1.00
Microlenin -7.8615	1.00	1.00
Microlenin -8.255666	1.00	1.00
Microlenin +8.3085	1.00	2598.75
Microlenin -8.337801	1.00	1.00
Microlenin +8.357	1.00	4305.00
Micropine	1.00	1.00
Micropine +6.037	1.00	1.00
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R)-3,4,5-tr...	1.00	1.00
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R)-3,4,5-tr...	1.00	1.00
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R)-3,4,5-tr...	1.00	1.00
MID41944:1?-hydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin ...	1.00	1.00
MID41972:1?-hydroxy-24-methylsulfonyl-25,26,27-trinorvitamin...	1.00	1.00
MID42011:1?-hydroxy-24-(dimethylphosphoryl)-25,26,27-trinorv...	1.00	1.00
MID42016:1?,26,26,26,27,27,27-heptafluoro-25-hydroxy-16,17,2...	4355.33	1.00
MID42016:1?,26,26,26,27,27,27-heptafluoro-25-hydroxy-16,17,2...	1.00	1.00
MID42016:1?,26,26,26,27,27,27-heptafluoro-25-hydroxy-16,17,2...	1.00	1.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 ...	1.00	1.00
MID42045:(22E)-(24R)-1?,24-dihydroxy-26,27-cyclo-22,23-dideh...	1.00	1.00
MID42045:(22E)-(24R)-1?,24-dihydroxy-26,27-cyclo-22,23-dideh...	1.00	1.00
MID42092:1?,25-dihydroxy-9,11-didehydro-3-deoxyvitamin D3 / ...	1.00	1.00
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 /...	14408.67	21337.00
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 /...	55003.67	1.00
MID42251:24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 /...	1.00	1.00
MID42321:1?-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-penta...	1.00	1.00
MID42323:1?,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-he...	1.00	4022.25
MID42324:24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1?,25-...	1.00	1.00
MID42324:24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1?,25-...	1.00	1.00
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,2...	1.00	1.00
MID42337:1?,25-dihydroxy-22,23-didehydro-24a,24b-dihomovitam...	1.00	1.00
MID42465:(6S)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5...	1.00	1.00
MID42471:1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D...	1.00	1.00
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin...	1.00	1.00
MID57897:(5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin...	1.00	1.00
MID66280:1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosam...	1.00	1.00
MID84156:26-O-beta-D-glucopyranosyl-22-methoxy-3beta,26-dihy...	3836.33	1.00
MID84159:26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)...	1.00	1.00
MID84215:(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl...	13484.00	12200.75
MID84216:(23S,25R)-12alpha,17alpha,23-trihydroxyspirost-5-en...	1.00	9855.25
MID84217:(23S,25R)-14alpha,17alpha,23-trihydroxyspirost-5-en...	10252.00	1.00
MID84220:(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-a...	1.00	6912.25
Midodrine	7523.00	11421.00
Midodrine +1.40025	4804.33	3983.00
Midodrine +1.63325	5220.33	4209.25
Midodrine -3.4063332	1.00	1.00
Midodrine +3.65	1.00	1.00
Midodrine -3.79725	1.00	1.00
Midodrine +3.8175714	45834.67	21965.25
Militarinone B	38234.00	1.00
Militarinone B +6.217	5776.33	1.00
Militarinone B +6.748	30875.33	1.00
Militarinone B +6.799	168629.67	1.00
Militarinone B +7.231	10295.33	1.00
Militarinone B +7.713	60323.67	1.00
Millettin	1.00	1.00
Minabeolide-1	1.00	1.00
Minabeolide-2	72651.67	105092.50
Minabeolide-2 +6.574	2755.67	1.00
Minoxidil	1.00	8778.00
Minoxidil +1.336	11935.33	1.00
Minoxidil-O-glucuronide	15252.67	1.00
Mirasan	1.00	1.00
Mirasan +6.254	1.00	1.00
Miserotoxin	8977.33	1.00
Miserotoxin +0.96575004	8039.33	14395.00
Mitomycin	92288.00	7838.75
Mitoxantrone dicarboxylic acid	3000.33	1.00
Mitragynine	1.00	21712.75
Mitragynine +6.698	10551.67	1.00
MK 886	1.00	1.00
MK 886 +5.136	1.00	1.00
MK 886 +5.413	1.00	1.00
ML-236C	1.00	1.00
ML-236C +4.196	1.00	1.00
Moclobemide	1.00	1.00
Moclobemide +4.054	2458.00	1.00
Molephantin	1.00	1.00
Monocerin	4652.67	35716.75
Monocrotaline	16834.67	1.00
Monocrotaline +3.514	1.00	1.00
Monocrotaline +3.53	5207.00	1.00
Monocrotaline +3.695	9989.67	1.00
Monocrotaline +3.726	1.00	1.00
Monocrotaline +4.306	1.00	1.00
monodeallydihydroxyalmitrine	1.00	1.00
Monodehydroascorbate	1.00	1.00
Monomethyl sulfate	1.00	1.00
Monotropein	1.00	1.00
Monotropein -1.618	1.00	1.00
Montanin	87438.33	91124.25
Montanol	1.00	1.00
Moricizine	3708.33	1.00
Moricizine sulfone	1.00	8662.75
Morphine 6-sulfate	1.00	7545.25
Moxalactam	1.00	1.00
MRE-269	123382.33	94165.50
MRE-269 -6.8302	1.00	1.00
MRE-269 +6.8467145	34863.67	77192.75
MRE-269 -8.546166	1.00	1.00
MRE-269 -8.582199	1.00	1.00
MRE-269 -8.593	1.00	1.00
MRE-269 +8.599	20312.00	1.00
MRE-269 +8.602142	87043.33	57365.75
MS-275	1.00	2365.25
MS-PPOH	1.00	1.00
m-Trifluoromethylhippuric acid	15371.33	1.00
Mucronine B	1.00	1.00
Multifidol	152281.33	144135.50
Multifidol -5.49	1.00	1.00
Multifidol -5.9785004	1.00	1.00
Muramic acid	1.00	1.00
(+)-Muscarine	1.00	2013.25
Musk ambrette	3828.33	3712.00
Musk ambrette +3.4893334	12238.00	3310.25
Musk xylene	1.00	153141.00
Mycalamide B	1.00	1.00
Mycinamicin IV	1.00	1.00
Mycinamicin VII	1.00	1.00
Mycinamicin VII -8.725	1.00	1.00
Mycinamicin VII +8.741	1.00	1.00
Mycinamicin VII -8.9435005	1.00	1.00
Mycophenolate mofetil	64772.67	4787.00
Mycophenolic Acid	1.00	1.00
Mycosporine	1.00	1.00
Mycosporine +1.3429999	1.00	2376.25
Mycosporine +1.6486667	13394.33	57457.75
Mycosporine +6.7955	1.00	3752.25
myo-Inositol pentakisphosphate	1.00	13412.75
Myosmine	1.00	1.00
Myricetin 3-(2^^,3^^,4^^-triacetylxyloside)	1.00	1.00
Myristic Acid Alkyne	1.00	9124.75
Myristic Acid ethyl ester	1.00	1.00
Myristic Acid ethyl ester -13.506571	1.00	1.00
Myristic Acid ethyl ester -13.5785	1.00	1.00
Myrrhanol A	17008.00	4267.50
Myrtucommulone A	1.00	1.00
Myxalamid B	9131.33	6636.50
Myxalamid B +13.286858	1.00	6983.00
Myxalamid S	6638.00	1.00
Myxochelin A	1.00	1.00
Myxochelin B	1.00	1.00
Myxochromide S2	1.00	1.00
Myxothiazol Z	1.00	1.00
Myxothiazol Z -8.254	1.00	1.00
Myxothiazol Z -8.3396	1.00	1.00
N17-Dimethylindole-3-carboxaldehyde	1.00	19164.50
N1,N12-Diacetylspermine	1.00	1.00
N1,N12-Diacetylspermine +1.23	437792.33	74915.00
N1,N12-Diacetylspermine +1.322	12450.33	1.00
N1,N12-Diacetylspermine +6.7706666	1.00	2341.50
N1,N4-Diacetylsulfanilamide	23575.33	20414.25
N1,N5,N10-Triferuloyl spermidine	1.00	1350.75
N-(2,3-Dihydroxybenzoyl)-L-serine	1.00	1.00
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	115511.00	1.00
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine +6.18...	29693.00	108568.25
N2-Acetyl-L-aminoadipate	2324.67	12569.00
N2-Acetyl-L-aminoadipate -1.384	1.00	1.00
N2-Acetyl-L-aminoadipate -1.4735	1.00	1.00
N2-Acetyl-L-aminoadipate -1.532	1.00	1.00
N2-Acetyl-L-aminoadipate -1.6153334	1.00	1.00
N2-Acetyl-L-aminoadipate -3.0814002	1.00	1.00
N2-Acetyl-L-aminoadipate -3.4383335	1.00	1.00
N2-(D-1-Carboxyethyl)-L-lysine	1.00	1.00
N2-(D-1-Carboxyethyl)-L-lysine +0.921	4571.00	4137.75
N2-(D-1-Carboxyethyl)-L-lysine -1.377	1.00	1.00
N2-(D-1-Carboxyethyl)-L-lysine -3.496	1.00	1.00
N2-(D-1-Carboxyethyl)-L-lysine +3.507	1.00	1.00
N2,N2-Dimethylguanosine	1.00	1.00
N2-Succinyl-L-ornithine	68765.67	98351.00
N-(3,4-Dichlorophenyl)-malonamate	38071.00	1.00
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Gly...	1.00	1.00
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfoxy)cholan-24-yl]-Glyc...	1.00	1.00
N3^-Acetylgentamicin	1.00	1.00
N3^-Acetylgentamicin -8.398334	1.00	1.00
N3^-Acetylgentamicin -8.451	1.00	1.00
N3-Metyladenine	1.00	1.00
N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone	19936.67	17245.25
N-(3-oxo-octanoyl)-homoserine lactone	1.00	1349.00
N-(3-oxo-octanoyl)-homoserine lactone +1.618	1.00	1.00
N-(3S-hydroxy-butanoyl)-homoserine lactone	6072.33	1.00
N-(3S-hydroxydecanoyl)-L-serine	1.00	5673.25
N-(4-benzenesulfonamide) arachidonoyl amine	1.00	1.00
N-(4-benzenesulfonamide) arachidonoyl amine -6.859	1.00	1.00
N4-(b-N-Acetyl-D-glucosaminyl)-L-asparagine	1.00	4016.25
N4-Phosphoagmatine	1.00	1.00
N4-Phosphoagmatine -3.666	1.00	1.00
N5-Ethyl-L-glutamine	1.00	1.00
N5-(L-1-Carboxyethyl)-L-ornithine	1.00	1.00
N-(6-Aminohexyl)-1-chloro-naphthalene-5-sulfonamide	1.00	1.00
N6-Carbamoyl-DL-Lysine	1.00	25520.75
N6-Carbamoyl-DL-Lysine +1.024	24637.33	1.00
N6-Carbamoyl-DL-Lysine +1.619	1.00	5853.50
N(6)-[(Indol-3-yl)acetyl]-L-lysine	1.00	1.00
N6-(L-1,3-Dicarboxypropyl)-L-lysine	1.00	13150.00
N6-(L-1,3-Dicarboxypropyl)-L-lysine -0.93799996	1.00	1.00
N6-(L-1,3-Dicarboxypropyl)-L-lysine +6.06	1.00	8728.00
N6-Methyl-2^-deoxyadenosine	21700.00	4801.00
N6-Methyl-2^-deoxyadenosine +0.9293334	14275.33	23925.50
N6-Methyl-2^-deoxyadenosine +0.931	1.00	1.00
N6-Methyl-2^-deoxyadenosine +1.0275	1.00	21417.25
N6-Methyl-2^-deoxyadenosine +1.387	4458.67	1.00
N(6)-Methyllysine	1.00	96466.75
N6,N6-Dimethyladenosine	10427.67	14154.75
N6,N6,O-Tridemethylpuromycin-5^-phosphate	1.00	1.00
N(6)-(Octanoyl)lysine	1.00	4075.50
N(6)-(Octanoyl)lysine +4.592	9333.00	1.00
N8-Acetylspermidine	1.00	12466.50
NA	1.00	1.00
NA -6.8830004	1.00	1.00
Nabam	1.00	1.00
Nabam -0.6946667	1.00	1.00
Nabam -0.728	1.00	1.00
Nabam -0.8	1.00	1.00
Nabam -0.83650005	1.00	1.00
Nabam -0.848	1.00	1.00
Nabam -1.079	1.00	1.00
Nabam -1.3065	1.00	1.00
NAC	1.00	10800.75
NAC-Diketide	1.00	1.00
N-Acetyl-6-O-L-fucosyl-D-glucosamine	2990.00	1.00
N-Acetyl-8-O-methyl-Neuraminic acid	1.00	1.00
N-Acetyl-9-O-lactoylneuraminic acid	1.00	1.00
N-acetylaspartate	1.00	1.00
N-Acetyl-beta-D-glucosaminylamine	1.00	1.00
N-AcetylCilastatin	24717.00	1.00
N-Acetyl-D-glucosamine	1.00	1.00
N-Acetyl-DL-methionine	15519.00	6047.00
N-Acetyl-DL-methionine +3.889	1.00	1.00
N-Acetyl-D-phenylalanine	1.00	1.00
N-Acetyl-D-quinovosamine	1.00	12706.00
N-Acetyl-D-quinovosamine +0.9346	14936.00	41672.00
N-Acetyl-D-quinovosamine +0.986	1.00	4056.50
N-Acetyl-D-quinovosamine +1.1395	17919.33	1.00
N-Acetyl-D-quinovosamine +1.303875	18653.67	32184.25
N-Acetylglucosamine-1-phosphate	1.00	11170.00
N-Acetylimidazole	15617.33	5283.75
N-Acetylimidazole +1.0175	2174.00	1.00
N-Acetyl-L-2-amino-6-oxopimelate	1.00	1.00
N-Acetyl-L-2-amino-6-oxopimelate -1.388	1.00	1.00
N-Acetyl-L-2-amino-6-oxopimelate +1.394	1.00	1517.75
N-Acetyl-L-2-amino-6-oxopimelate -1.61025	1.00	1.00
N?-Acetyl-L-arginine	72253.67	17920.75
N-Acetyl-leucyl-leucine	1.00	4106.00
N-Acetyl-leucyl-leucine +4.146	1.00	2610.25
N-Acetyl-leu-leu-tyr	1.00	1.00
N-Acetyl-L-glutamic acid	1.00	1.00
N-acetyl-LTE4	1.00	1.00
N-acetyl-LTE4 -6.49	1.00	1.00
N-Acetylmannosamine	1.00	1.00
N-Acetylmannosamine -0.943	1.00	1.00
N-Acetylmuramic acid	1.00	1.00
N-Acetylmuramic acid +0.947	1.00	1.00
N-Acetylmuramic acid +1.44	1.00	1.00
N-Acetylmuramic acid +2.2473333	1.00	2613.25
N-Acetylmuramoyl-Ala	1.00	4592.50
N-Acetylneuraminic Acid	6386.00	22136.50
N-Acetylneuraminic Acid -0.95600003	1.00	1.00
N-Acetylneuraminic Acid -1.068	1.00	1.00
N-Acetyl-p-benzoquinonimine	1.00	1.00
N-Acetylprocainamide	1.00	1.00
N-Acetylserine	931559.67	1146736.75
N-acetylsphingosine 1-phosphate	1.00	1.00
N-Acetylsulfadiazine	1.00	1.00
N-Acetylvanilalanine	1.00	2227.25
N-Acetylvanilalanine +1.62	1.00	2109.25
NAc-FnorLRF-amide	1.00	1.00
NAc-FnorLRF-amide +9.26	1.00	1.00
Nadolol	6291.67	1.00
Nafenopin glucuronide	1.00	1.00
Nafoxidine	87262.67	186508.00
Nafoxidine +5.8865	1.00	20417.25
Nafoxidine +6.17575	8513.33	6522.00
Nafoxidine +7.002	1.00	1.00
Nafoxidine +7.088	1.00	1.00
Nalbuphine-3-sulfate	1.00	1.00
Naloxol	1.00	1.00
Naloxol +5.045	1.00	1.00
N-alpha-Acetyl-L-2,4-diaminobutyrate	44705.33	14500.00
N-alpha-Acetyl-L-2,4-diaminobutyrate +1.127	1.00	19400.25
N-alpha-Acetyl-L-2,4-diaminobutyrate +3.2165	1.00	1.00
N(alpha)-Benzyloxycarbonyl-L-leucine	1.00	18620.00
N(alpha)-Benzyloxycarbonyl-L-leucine +3.7616665	1.00	286611.50
N(alpha)-Benzyloxycarbonyl-L-leucine +4.0795	10348.00	1.00
N(alpha)-Benzyloxycarbonyl-L-leucine +4.3232503	5764.00	4882.50
N(alpha)-Benzyloxycarbonyl-L-leucine +4.613	1.00	13306.75
N(alpha)-gamma-L-Glutamylhistamine	63561.00	13881.50
N(alpha)-gamma-L-Glutamylhistamine +0.916	1.00	1.00
N(alpha)-gamma-L-Glutamylhistamine +1.6255715	31684.67	16440.00
N(alpha)-gamma-L-Glutamylhistamine +1.638	14368.67	1.00
N(alpha)-gamma-L-Glutamylhistamine +1.72	1.00	8019.50
N(alpha)-t-Butoxycarbonyl-L-leucine	1.00	1.00
Nandrolone phenpropionate	1.00	14691.75
Nandrolone phenpropionate +14.048813	78923.67	92567.25
Nandrolone phenpropionate +9.3784	1.00	4609.00
Nandrolone phenpropionate +9.892	1.00	1.00
Nantenine	1.00	1.00
Nantenine +5.625	1.00	1.00
Naphthyl-2-hydroxymethyl-succinyl CoA	1.00	1.00
Nap-Lys-OH	1.00	1.00
Nap-Nap-OH	1.00	1.00
N-arachidonoyl alanine	1.00	1.00
Narbomycin	1.00	4698.75
Naringin	10511.00	8772.75
Navenone A	6586.00	1.00
NBD-FTY720 phenoxy	6094.33	1.00
NBD-FTY720 phenoxy +6.222	6108.00	1.00
NBD-FTY720 phenoxy +6.413	9822.00	1.00
N-Benzoyl-4-hydroxyanthranilate	1.00	3584.75
N-Benzoyl-4-methoxyanthranilate	1.00	1.00
N-Benzoyl-4-methoxyanthranilate -5.379	1.00	1.00
N-Benzoyl-D-arginine	23787.00	4308.75
N-Benzoyl-D-arginine +3.4665	16885.33	1.00
N-Benzoyl-D-arginine-4-nitroanilide	1.00	1.00
N-Benzylformamide	11742.00	1.00
N-Benzylformamide +1.284	1.00	1.00
N-Benzylformamide -4.485	1.00	1.00
N-Benzyloxycarbonylglycine	1.00	1.00
N-Benzyloxycarbonylglycine +1.391	1.00	4985.50
N-Benzyloxycarbonylglycine -3.06875	1.00	1.00
N-Benzyloxycarbonylglycine +3.0773335	1.00	1.00
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	1.00	10043.25
n-Butyl-2-cyanoacrylate	1.00	1.00
n-Butyl-2-cyanoacrylate +1.6370001	1.00	1.00
n-Butyl-2-cyanoacrylate +1.651	1.00	5065.75
n-Butyl-2-cyanoacrylate +1.666	1.00	1.00
n-Butyl-2-cyanoacrylate +6.4513335	1.00	1.00
n-Butylbenzene	8063.67	31461.25
n-Butylbenzene +10.222	1.00	1.00
n-Butylbenzene +10.38575	50735.33	1.00
n-Butylbenzene +10.398	1.00	1.00
n-Butylbenzene +10.4405	1.00	1.00
n-Butylbenzene +10.44509	62307.33	11451.25
N-Butylscopolamine metabolite	24652.00	24983.25
N-Carboxyethyl-?-aminobutyric acid	134654.00	217808.25
N-Carboxyethyl-?-aminobutyric acid +1.3954545	30386.67	9710.75
N-Carboxyethyl-?-aminobutyric acid +1.402	1.00	1.00
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone	1.00	1.00
N-cis-tetradec-9Z-enoyl-L-Homoserine lactone +10.459	1.00	4242.50
N-Cyclohexylformamide	1.00	1.00
N-Cyclohexylformamide +1.4231818	2801471.00	6939951.00
N-Cyclohexylformamide +1.6286362	1983881.67	3565756.25
N-Cyclohexylformamide +1.6875	733131.33	645992.75
N-Cyclohexylformamide +2.7629998	41838.33	1.00
N-Cyclohexylformamide +2.777	1.00	1.00
N-Cyclohexylformamide +3.892	3809.00	6816.00
N-Cyclopropylammeline	4534.67	1.00
N-Dealkylzuclopenthixol	1.00	1.00
N-Dealkylzuclopenthixol sulfoxide	1.00	1.00
N-decanoyl-L-Homoserine lactone	4675.33	7853.50
N-depyridomethyl-Indinavir	3999.67	10730.75
N-depyridomethyl-Indinavir +7.395	1.00	1663.00
N-depyridomethyl-Indinavir +8.33	1.00	1.00
N-Desmethylclobazam	17606.33	1.00
N-Desmethyldiphenhydramine	5412.33	1.00
N-Desmethylmifepristone (RU 42633)	1.00	1.00
N-Desmethylmifepristone (RU 42633) +5.66	1.00	1.00
N-Desmethyltamoxifen	7885.00	2364.25
N-Desmethyltolmetin	1.00	11075.25
N-Desmethyltolmetin +3.46	1.00	1.00
N-Desmethyltolmetin +3.8516667	1.00	1.00
N-Desmethyltrifluoperazine	1.00	1.00
N-Desmethylzafirlukast	18196.00	7919.00
N-Desmethylzafirlukast -3.4147277	1.00	1.00
N-Despropylpergolide	5260.00	1.00
N-Despropylpergolide +1.279	5431.33	1.00
N-Despropylpergolide +3.454	1.00	1.00
N-D-Glucosylarylamine	4313.00	3902.00
N-D-Glucosylarylamine +1.403	1.00	1.00
N-D-Glucosylarylamine +3.184	1.00	1.00
N-D-Glucosylarylamine +3.572	1.00	1.00
N-Didesethylquinagolide sulfate	1.00	1.00
N-[(diphenylmethoxy)acetyl]-Glutamine	1.00	3275.25
N-[(diphenylmethoxy)acetyl]-Glutamine +4.945	1.00	3626.25
N-docosahexaenoyl glutamic acid	7692.67	1.00
N-docosahexaenoyl glutamic acid +6.41	25055.00	1.00
N-docosahexaenoyl histidine	1.00	1.00
N-docosanoyl taurine	1.00	1.00
N-D-Ribosylpurine	37161.67	19029.25
N-D-Ribosylpurine +1.061	1.00	1.00
N-D-Ribosylpurine -1.0706	1.00	1.00
N-D-Ribosylpurine +1.108	13521.33	51668.50
N-D-Ribosylpurine +1.151	44163.00	37078.50
N-D-Ribosylpurine +1.2583333	1.00	5529.50
N-D-Ribosylpurine -3.0763333	1.00	1.00
N-D-Ribosylpurine +3.0880911	35910.67	10419.25
N-D-Ribosylpurine -3.5293334	1.00	1.00
Neamine (Neomycin A)	1.00	3923.00
Nebramycin factor 5^	1.00	2319.75
Nebramycin factor 5^ +5.446	1.00	1.00
Nebramycin factor 5^ +5.997	1.00	1.00
Nedocromil	1.00	1.00
Nefazodone	1.00	13329.00
Nefazodone +7.0240006	3567.67	12705.25
Nefazodone +7.093	1.00	9338.00
Nefopam	1.00	1.00
Nefopam +3.677	6997.33	1.00
Nefopam +3.829	53326.00	1.00
Ne-Methyl-L-lysine	1.00	1.00
Neocnidilide	1.00	1.00
Neocnidilide -9.902	1.00	1.00
Neoilludin A	37774.33	23137.75
Neoilludin A +4.488	1.00	9829.00
Neoilludin A -6.088667	1.00	1.00
Neoilludin A +6.127	1.00	10343.25
Neoilludin A +6.1773334	1.00	3837.25
Neoilludin A +6.2085004	22425.00	7921.00
Neoilludin A -6.2244997	1.00	1.00
Neoilludin A +6.4639997	6748.33	1.00
Neoilludin A -6.808	1.00	1.00
Neoisostegane	1.00	1.00
Neolinderatone	1.00	5733.00
Neolinderatone +12.375583	14911.33	63767.25
Neolinustatin	1.00	1.00
(+)-Neomenthol	1.00	1.00
Neostigmine	1.00	1.00
Neurodazine	1.00	1.00
Neurodazine -9.8785	1.00	1.00
Neurosporaxanthin beta-D-glucopyranoside	1.00	1.00
Neurosporaxanthin beta-D-glucopyranoside +12.274909	4708.00	14717.25
N-Feruloylglycine	1.00	1.00
N-Feruloylglycine +3.534	2210.00	1.00
N-Fluorenylacetamide	8895.33	7027.25
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	5563.33	43853.50
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine +1.3135	1.00	1.00
N-Glycolylneuraminic acid	1.00	1.00
NH-DVal(NMe)-Val-OMe	1.00	4040.50
NH-DVal(NMe)-Val-OMe +1.7735	4844.33	3829.50
NH-DVal(NMe)-Val-OMe +1.872	5341.67	4402.00
NH-DVal(NMe)-Val-OMe +4.8625	26281.00	4987.50
N-heptanoyl-homoserine lactone	1.00	1.00
N-heptanoyl-homoserine lactone +5.69275	1.00	1.00
N-heptanoyl-homoserine lactone +5.802	1.00	1.00
N-[[(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)amino]carbonyl]-4...	7196.33	1.00
N-Hydroxy-1-aminonaphthalene	24836.67	9994.00
N-Hydroxy-1-aminonaphthalene +3.565	1.00	1.00
N-Hydroxy-L-phenylalanine	1.00	3813.50
N-Hydroxy-L-phenylalanine +0.948	1.00	1.00
N-Hydroxy-L-phenylalanine +1.1408001	1.00	1.00
N-Hydroxy-L-phenylalanine -1.6285456	1.00	1.00
N-Hydroxy-L-phenylalanine +1.631	1.00	1.00
N-Hydroxy-L-phenylalanine +1.6356001	153385.67	75639.75
N-Hydroxy-L-phenylalanine +1.656	2298.33	1.00
N-Hydroxy-L-phenylalanine +4.289	1.00	56353.50
N-Hydroxy-L-phenylalanine +5.05	1.00	11613.25
N-Hydroxy-L-phenylalanine +5.4277143	9594.67	34261.75
N-Hydroxy-L-phenylalanine +5.798	1.00	1.00
N-Hydroxy-L-phenylalanine +5.7980003	24816.67	40016.25
N-Hydroxy-L-phenylalanine +5.861	1.00	2442.25
N-Hydroxy-L-phenylalanine +6.422	1.00	1.00
N-Hydroxynorcocaine	1.00	1.00
N-Hydroxynorcocaine +1.177	1.00	1.00
N-Hydroxypentobarbital	52594.33	6283.50
N-Hydroxypentobarbital +1.138	1.00	1.00
N-Hydroxypentobarbital +1.637	1.00	1.00
Nicotinamide riboside	1.00	1.00
Nicotinamide riboside +5.058	1.00	1.00
Nicotinate D-ribonucleoside	771018.67	302282.00
Nicotinate D-ribonucleoside +1.212	474465.33	12872.50
Nicotinate D-ribonucleoside +1.3483334	4242.67	20597.50
Nicotinate D-ribonucleoside +3.493	1.00	2596.50
Nicotinate D-ribonucleoside +3.54	1.00	2689.75
Niddamycin	1.00	1.00
Nigerose (Sakebiose)	20165.33	1.00
Niguldipine	1.00	8643.00
Nimustine	3200.67	2716.75
Niridazole	1.00	1.00
N-Isopropylterephthalaldehydamide	1.00	12899.50
N-isovalerylglycine	26407.67	4001.00
N-isovalerylglycine +1.016	1.00	1.00
N-isovalerylglycine +1.172	1.00	1.00
N-isovalerylglycine +1.2456	1.00	13209.25
N-isovalerylglycine +1.3922	8352.00	10839.75
N-isovalerylglycine -3.5895	1.00	1.00
Nitenpyram	1.00	1.00
Nitramine	3318.33	1.00
Nitramine +4.4566	126444.00	28224.50
Nitramine +4.4595003	1.00	92604.50
Nitramine +5.004	1.00	4080.00
Nitrapyrin	1.00	1.00
Nitrilacarb	1.00	1.00
Nitrilacarb +4.093	1.00	1.00
Nitroprusside	1.00	1.00
Nitrothal-isopropyl	1.00	11142.00
Nitrothal-isopropyl +3.874	1.00	10452.00
Nizatidine	1.00	4195.00
N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine	190753.33	1.00
N-Methylanthranilic Acid	247080.67	122482.50
N-Methylanthranilic Acid +1.3094	1.00	1.00
N-Methylanthranilic Acid -3.841	1.00	1.00
N-Methylanthranilic Acid +3.8565998	161693.67	4900000.75
N-methyl-Gabapentin	1.00	1.00
N-methyl-Gabapentin +0.868	1.00	4406.25
N-methyl-Gabapentin +4.193	1.00	1.00
N-methyl hexanamide	8819.00	1.00
N-methyl hexanamide +0.867	1.00	10452.75
N-Methyl-L-alanine	1.00	1.00
N-Methylpelletierine	1.00	1.00
N-Methylpelletierine +3.582	1.00	20658.00
N-Methylpelletierine +3.6337144	46343.33	5452.25
N-Methylpelletierine +3.639	400091.33	516758.50
N-Methylpelletierine +3.828	13899.67	1.00
N-Methylpelletierine +3.909	14607.67	1.00
N-Methylpelletierine +4.096667	29580.00	56443.75
N-Methylpelletierine +4.099	7333.00	1.00
N-Methylpelletierine +4.819	1.00	1.00
N-methylundec-10-enamide	244169.33	319172.50
N-methylundec-10-enamide +6.143	1.00	1.00
N-methylundec-10-enamide -7.809153	1.00	1.00
N,N^-Diacetylbenzidine	1.00	4422.75
N,N-Didemethyldiphenhydramine	14246.67	1327.25
N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-y...	1.00	5612.00
N,N-Diethylphenylacetamide	1.00	1.00
N,N-Diethylphenylacetamide +3.355	1.00	1.00
N,N-Diethylphenylacetamide +3.411	1.00	1.00
N,N-Diethylphenylacetamide +3.7833335	1.00	11073.75
N,N-Diethylphenylacetamide +8.735462	38284.33	37654.00
N,N-Dihydroxy-L-phenylalanine	18997.00	13187.50
N,N-Dihydroxy-L-phenylalanine +1.63	1.00	1.00
N,N-Dihydroxy-L-tryptophan	1.00	4708.25
N,N-Dihydroxy-L-tryptophan +3.882	1.00	2974.50
N,N-Dihydroxy-L-tyrosine	1.00	1.00
N,N-Dihydroxy-L-tyrosine +1.3989999	1.00	1388.25
N,N-Dihydroxy-L-tyrosine -3.375	1.00	1.00
N,N-Dimethyl-1,4-phenylenediamine	1910.33	1.00
N,N-Dimethyl-4-nitrosoaniline	11158.33	1.00
N,N-Dimethyl-4-nitrosoaniline +1.398	1.00	3266.25
N,N-dimethylhistidine	19472.00	8406.00
N,N-dimethylhistidine +3.05	1.00	1.00
N^-Nitrosoanabasine	1.00	1.00
N^-Nitrosoanabasine +1.14	24996.00	1.00
N^-Nitrosoanabasine -13.427911	1.00	1.00
N^-Nitrosoanabasine -13.721999	1.00	1.00
N^-Nitrosoanabasine -14.092	1.00	1.00
N^-Nitrosoanabasine -9.5245	1.00	1.00
N^-Nitrosoanabasine -9.708	1.00	1.00
N-Nitrosodi-n-butylamine	2151547.33	5301853.00
N-Nitrosodi-n-propylamine	1.00	2599.50
N-Nitrosoguvacine	1.00	1.00
N-Nitrosoguvacoline	506692.33	1112799.50
N-Nitroso-N-methylurethane	17970.33	1.00
N-Nitroso-N-methylurethane +0.914	3360.67	1.00
N-Nitroso-N-methylurethane +1.627	3192.33	1.00
N^-Nitrosonornicotine	1.00	4826.25
N-Nitrosoproline	1.00	1.00
N?,N?,N?-Trimethyllysine	1.00	1.00
N?,N?,N?-Trimethyllysine +0.90166664	70687.33	180934.75
N?,N?,N?-Trimethyllysine +1.4015	1.00	1.00
N-nonanoyl-L-Homoserine lactone	15260.67	17585.75
Nobilin	1.00	1.00
Nobilin +7.143	1.00	1.00
Nodakenin	1.00	1.00
N,O-Didesmethylvenlafaxine	1.00	1.00
N,O-Didesmethylvenlafaxine +5.287	1.00	70452.50
N,O-Didesmethylverapamil	1.00	1.00
N,O-Didesmethylverapamil -10.5996	1.00	1.00
N,O-Didesmethylverapamil +7.03	5795.67	1.00
N,O-Didesmethylverapamil -7.321	1.00	1.00
N,O-Didesmethylverapamil +7.33	63756.00	1.00
N,O-Didesmethylverapamil +7.488	77866.00	1.00
N,O-Didesmethylverapamil +7.568	11335.00	1.00
N,O-Didesmethylverapamil +7.643	39048.67	1.00
Nojirimycin	1.00	19310.50
N-oleoyl ethanolamine	9528.00	3668.50
N-oleoyl GABA	5539.33	1.00
N-oleoyl glutamic acid	1.00	2985.75
N-oleoyl glutamine	1.00	1.00
N-oleoyl glutamine -13.7211685	1.00	1.00
N-Oleoyl Glycine	1.00	1.00
N-Oleoyl-L-Serine	33658.33	1.00
N-oleoyl phenylalanine	1.00	1.00
N-oleoyl phenylalanine +7.271	1.00	1390.00
N-oleoyl tyrosine	5746.67	1.00
Nonate	23915.67	39592.75
Nonate +3.493	1.00	6958.00
Nonate -3.863	1.00	1.00
Nonate -4.074	1.00	1.00
Nonate +4.092	1.00	13154.75
Nonate -6.1909385	1.00	1.00
Nonoxynol-9	19967.67	24153.00
Norbixin	1.00	1.00
Norcholestenol iodomethyl (131 I)	1.00	6161.00
Norcholestenol iodomethyl (131 I) +4.759	1.00	10781.75
Norcisapride	1.00	1.00
Norcocaine nitroxide	13925.00	4812.25
Norcocaine nitroxide +3.108	1.00	2996.25
Norcocaine nitroxide +4.256	1.00	1.00
Norcodeine	1.00	1.00
Norcodeine +3.648	1.00	1.00
Norcodeine +6.196	4166.67	1.00
Nordihydrocodeine	6265.00	1.00
Nordihydrocodeine +6.5	1.00	1.00
Norepinephrine sulfate	1.00	1.00
Norethindrone	1.00	1.00
Norfloxacin	5721.33	1.00
Norgestimate	1.00	1.00
Norketamine	1.00	2508.00
Normeperidinic acid	1.00	1.00
Normeperidinic acid +0.937	13883.00	1.00
Normeperidinic acid +1.621	1.00	1.00
Normeperidinic acid glucuronide	4927.00	8299.25
Normeperidinic acid glucuronide +0.884	5003.67	1.00
Normeperidinic acid glucuronide +1.62	1.00	1.00
Normeperidinic acid glucuronide +3.076	1.00	5850.75
Normeperidinic acid glucuronide +3.088	2969.00	1637.25
Normetanephrine sulfate	1.00	5354.00
Normorphine 3-glucuronide	1.00	5735.00
Noroxymorphone	1.00	1.00
Norselic acid E	2609.67	1.00
Northienamycin	1.00	1963.50
Noruron	166134.33	30522.50
Noruron +4.244	5982.00	1.00
Norvisnagin	1.00	4617.50
Nostocyclopeptide A1	1.00	1.00
N-palmitoyl glycine	3419.67	1.00
N-palmitoyl threonine	1.00	9688.50
NPC	1.00	1.00
n-Pentadecylamine	1.00	1.00
n-Pentadecylamine +10.276751	8828.33	16336.00
N-Phenyl-2-naphthylamine	17886.33	31441.00
N-(Phenylmethyl)-N-methyl-2-pyridinamine	73704.67	13551.25
N-(Phenylmethyl)-N-methyl-2-pyridinamine +1.405	1.00	1.00
n-Propyl gallate	1.00	1.00
n-Propyl gallate +3.068	10464.67	2177.50
n-Propyl gallate +3.4695	7335.33	1.00
n-Propyl gallate -3.669	1.00	1.00
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate	1.00	1.00
NS-5	1.00	1.00
NSC 23766	37123.00	4377.50
NSC 23766 +6.6975	1.00	1.00
N-stearoyl glutamic acid	18532.33	46039.75
N-stearoyl glutamic acid +12.266999	1.00	35909.25
N-stearoyl glutamine	3287.67	7248.00
N-stearoyl glutamine +13.283666	1.00	6245.50
N-stearoyl glutamine +9.354	1.00	1.00
N-stearoyl tyrosine	4801.33	47626.25
N-stearoyl tyrosine +6.865071	16207.33	87510.00
N-stearoyl tyrosine +7.271	1.00	1.00
N-stearoyl tyrosine +7.4405003	1.00	3503.25
N-stearoyl valine	23403.33	21297.25
N-stearoyl valine +13.3745	5398.00	7477.50
N-stearoyl valine +13.384155	55354.33	51331.25
N-stearoyl valine +13.434556	6628.67	8317.50
N-stearoyl valine +13.541	4671.67	1.00
N-tert-Butyloxycarbonyl-deacetyl-leupeptin	1.00	1.00
N-tetradecanoyl-L-Homoserine lactone	1.00	1496.00
N-tetradecanoyl-L-Homoserine lactone +9.4875	1.00	1505.25
N-tetradecanoyl-L-Homoserine lactone +9.953	1753.00	1.00
N-tridecanoyl-L-Homserine lactone	1.00	1.00
NU 7026	5416.00	1.00
NU 7026 -7.365	1.00	1.00
NU 7026 +7.377	1.00	2585.25
N-undecanoyl-L-Homoserine lactone	7780.67	1.00
N-undecanoyl-L-Homoserine lactone +4.742	1.00	1.00
N-undecanoyl-L-Homoserine lactone +5.351	11588.00	1.00
N-undecanoyl-L-Homoserine lactone +6.4849997	3029.33	1.00
Nupharamine	1.00	1.00
Nupharamine +4.077	1.00	1.00
Nupharidine	15930.00	28232.25
Nupharidine +6.19	1.00	1.00
NVP-BEZ235	1.00	1.00
Nylidrin	6330.33	1.00
O-11	1.00	1.00
O6-Methyl-2^-deoxyguanosine	1.00	7651.00
O6-Methyl-2^-deoxyguanosine +0.93050003	2872.33	4786.00
O6-Methyl-2^-deoxyguanosine +1.845	1.00	1.00
O-Acetylcypholophine	16007.33	1.00
O-Acetylcypholophine -7.288	1.00	1.00
O-Acetylcypholophine -7.308333	1.00	1.00
O-Acetylhomoserine	17550.33	15277.75
O-Acetylhomoserine -1.387	1.00	1.00
O-Acetylhomoserine +1.844	36581.33	7490.25
Obacunone	1.00	1.00
Obliquine	1.00	1.00
Obtusilic acid	11100.00	11754.25
Obtusilic acid +13.010667	2528.67	1.00
Obtusilic acid +9.433333	1.00	3222.25
O-butanoyl-carnitine	20484.67	11741.50
O-butanoyl-carnitine +1.62	1.00	1.00
Ochotensine	1.00	1.00
Ochotensine -10.978726	1.00	1.00
Ochotensine -11.166909	1.00	1.00
Octanoic acid, 3-amino-, (1)-	167663.67	84321.25
Octanoic acid, 3-amino-, (1)- +1.4785	1.00	5864.50
Octanoic acid, 3-amino-, (1)- +4.614	1.00	1.00
Octanoylglucuronide	1.00	1.00
Octhilinone	58350.00	61246.25
Octocrylene	6838.00	3949.75
Octopine	15158.33	1.00
Octylamine	493693.33	806312.50
Octylamine +4.911857	515365.67	487714.50
O-Desacetylcephalothin	1.00	1.00
O-Desmethylquinidine glucuronide	2626.67	4338.25
O-Desmethylvenlafaxine	1.00	47696.75
O-Desmethylverapamil	129875.33	1.00
O-Desmethylverapamil +7.677	28392.67	1.00
O-Desmethylverapamil +7.807	13210.33	1.00
O-Desmethylverapamil +8.068	80061.33	1.00
O-?-D-Glucosylzeatin	1.00	1.00
O-?-D-Xylosylzeatin	9087.67	1.00
O-?-D-Xylosylzeatin +1.091	1.00	1.00
O-?-D-Xylosylzeatin +1.383	1.00	1.00
O-?-D-Xylosylzeatin +1.6285	1.00	1830.75
Olanzapine	103245.00	7363.25
Olanzapine -1.62	1.00	1.00
Olanzapine +1.6516666	53832.67	12380.00
Olanzapine +1.68	1.00	1.00
Olanzapine +1.8765	1.00	1.00
Olanzapine +2.24	1.00	1.00
Olanzapine +2.515	1.00	1.00
Olanzapine +3.1304998	1.00	1.00
Olanzapine -3.1675	1.00	1.00
Olanzapine +3.1714	8607.00	1.00
Olanzapine -3.2	1.00	1.00
Oleamide	46419.67	54455.00
Oleandomycin	1.00	1.00
Oleoyl Ethyl Amide	1.00	4658.00
Oligomycin B	1.00	1.00
Oligomycin B -10.588272	1.00	1.00
Olivacine	1.00	1.00
Olivacine +3.674	1.00	1.00
Olomoucine	2195.33	10492.00
Olomoucine +1.6377499	1.00	1.00
Olomoucine +1.683	1.00	1.00
Olomoucine +3.472	1.00	1.00
Olomoucine +3.5513332	1.00	1.00
Olprinone	1.00	3572.50
Olprinone +1.86	1.00	2863.00
Olprinone +2.986	1.00	7666.75
Olprinone +3.185	1.00	33544.25
omega-3-Arachidonic acid	1.00	1.00
omega-Carboxy-N-acetyl-LTE4	1.00	1.00
omega-Carboxy-N-acetyl-LTE4 -7.759	1.00	1.00
omega-Carboxy-N-acetyl-LTE4 -7.8594995	1.00	1.00
omega-Carboxy-N-acetyl-LTE4 -7.876	1.00	1.00
Omethoate	1.00	1.00
Onchidal	24106.33	31543.75
Onchidal +9.342	1.00	3243.25
Onchidal +9.473535	21540.33	22746.25
Ondansetron	1.00	1.00
Onitin	1.00	1.00
O-Phosphoviomycin	1.00	1.00
ORG 20599	3254.33	1.00
Ornithine	9468.33	15665.00
Orsellinic Acid, Ethyl Ester	1.00	61276.50
Orsellinic Acid, Ethyl Ester +3.979	1.00	1.00
ortho-Aminoazotoluene	1.00	1.00
ortho-Aminoazotoluene +4.1015	1.00	17154.25
Orthoform	33001.00	19469.00
Orthoform +1.0103333	9204.67	18483.75
Orthoform +1.400625	11240.00	10641.50
Orthoform +3.3585	2575.00	1.00
Orthothymotinic Acid	1.00	1.00
Orthothymotinic Acid -8.804187	1.00	1.00
Oscillatoxin A	1.00	1.00
Oscillatoxin A -8.072	1.00	1.00
Oscillatoxin A -8.42	1.00	1.00
Oscillatoxin A -8.547	1.00	1.00
Oseltamivir	1.00	1.00
Osthol	1.00	7987.75
OTK	10114.00	1.00
Otonecine	13911.33	7397.50
Otonecine +1.3889999	1.00	1.00
Otonecine +3.831	3138.00	1.00
Otonecine -5.4885	1.00	1.00
Otonecine +5.5015006	4684.33	10256.00
Ovaliflavanone B	3571.33	1.00
Ovaliflavanone B +1.395	4308.33	1.00
Ovaliflavanone C	1.00	1.00
o-Veratraldehyde	1.00	1.00
Oxadixyl	58515.33	29444.75
Oxaloglutarate	1.00	1.00
Oxaloglutarate -2.508	1.00	1.00
Oxaloglutarate -2.544	1.00	1.00
Oxamflatin	1.00	36598.25
Oxandrolone	1.00	1.00
Oxaprozin	1.00	4454.25
Oxaprozin +5.087	5034.33	1.00
Oxaprozin +5.122	1.00	1.00
Oxfendazole	1.00	8461.00
Oxidized dinoflagellate luciferin	1.00	2636.75
Oxidized Latia luciferin	4972.33	25997.25
Oxonic acid	1.00	1.00
Oxprenolol glucuronide	1.00	1.00
Oxyayanin-B	1.00	1.00
Oxyayanin-B -3.7849998	1.00	1.00
o-Xylene	1.00	1.00
p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol	1.00	1.00
PA(10:0/10:0)[U]	3246.00	1.00
PA(12:0/0:0)	1.00	1.00
PA(12:0/0:0) +3.831	1.00	1.00
PA(12:0/20:4(5Z,8Z,11Z,14Z))	3251.33	1.00
PA(13:0/18:3(6Z,9Z,12Z))	1.00	65917.25
PA(13:0/18:4(6Z,9Z,12Z,15Z))	1.00	1.00
PA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1979.50
PA(14:0/12:0)	28897.67	22604.75
PA(17:0/22:0)	10466.00	1.00
PA(17:0/22:0) +13.736	277974.67	83006.25
PA(18:2(9Z,12Z)/0:0)	1.00	1.00
PA(18:2(9Z,12Z)/0:0) +9.891	1.00	1.00
PA(18:2(9Z,12Z)/12:0)	6580.67	19569.50
PA(18:2(9Z,12Z)/12:0) +12.2705	1.00	1.00
PA(18:3(6Z,9Z,12Z)/0:0)	1.00	1.00
PA(19:0/0:0)	1.00	1.00
PA(19:1(9Z)/22:2(13Z,16Z))	1.00	97289.75
PA(19:3(10Z,13Z,16Z)/0:0)	1.00	1.00
PA(20:1(11Z)/14:0)	1.00	1.00
PA(20:2(11Z,14Z)/17:2(9Z,12Z))	1.00	1.00
PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	1.00	1595.25
PA(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	17988.00	24042.50
PA(21:0/0:0)	1.00	4270.50
Paclobutrazol	1.00	1.00
Paclobutrazol +4.311	1.00	1.00
Paeonilactone C	1.00	1.00
Palmitic amide	1.00	1.00
Palmitoleoyl 3-carbacyclic Phosphatidic Acid	3033.00	1.00
Palmitoyl dopamine	1.00	1.00
Palmitoyl dopamine +8.312	8909.67	1.00
Palmityl Trifluoromethyl Ketone	1.00	1.00
Palmityl Trifluoromethyl Ketone +11.243333	1.00	3391.25
Palmityl Trifluoromethyl Ketone -12.177333	1.00	1.00
Panaxynol	2916.67	1.00
Pandamine	40387.67	1.00
Pandamine +6.2706666	5189.00	1.00
Pandaroside A	1.00	1.00
Panfuran S	1.00	1.00
Panfuran S +0.973	1.00	1.00
Pantetheine	17779.00	4326.50
Pantothenic Acid	1.00	1.00
Pantothenic Acid -1.395	1.00	1.00
Pantothenic Acid -3.6637335	1.00	1.00
PA(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PA(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +13.121	1.00	2528.50
PA(O-18:0/0:0)	14690.67	14542.25
PA(O-18:0/18:4(6Z,9Z,12Z,15Z))	1.00	1.00
PA(O-18:0/22:2(13Z,16Z))	1.00	19792.75
PA(O-20:0/0:0)	1.00	1.00
PA(O-20:0/14:0)	1.00	1.00
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	21098.33	57104.25
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +0.8996666	1.00	1.00
PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	1.00
para-Anisidine	1.00	5684.75
para-Anisidine +1.6730001	1.00	1.00
para-Anisidine +3.94	1.00	5747.50
para-Benzoquinone dioxime	5733.00	89545.50
para-Benzoquinone dioxime -1.385	1.00	1.00
para-Benzoquinone dioxime -1.61925	1.00	1.00
para-Benzoquinone dioxime +1.626	30303.33	25481.00
para-Cresidine	1.00	1.00
para-Cresidine +2.667	1.00	1.00
para-Cresidine +3.2389998	1.00	11287.25
para-Nitrosodiphenylamine	88049.33	1.00
para-Phenylenediamine	471090.00	485024.00
para-Phenylenediamine +0.869	1.00	4734.00
Parathion	1.00	1.00
Pargyline	20161.33	8078.00
Parishin C	67635.67	45874.00
Parrisaponin	1.00	1.00
Parrisaponin -5.913	1.00	1.00
Parsonsine	17329.33	1.00
Patulin	1.00	1.00
Paucin	1.00	1.00
PC(0:0/8:0)[U]	1.00	1.00
PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	1.00	5651.75
PC(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	13944.67	1.00
PC(8:0/7:0)[U]	1.00	307613.75
p-Chlorobenzenesulfonylurea	4748.00	1.00
PC(O-11:1(10E)/2:0)	1.00	132364.00
PC(O-16:0/19:1(9Z))	30508.67	11301.50
PC(O-18:0/O-18:0)[U]	1.00	1.00
p-Coumaroylagmatine	3431.33	1.00
p-Coumaroylputrescine	86907.33	24806.00
p-Coumaroylputrescine +1.3975	1.00	7202.00
p-Coumaroylputrescine +1.404	1.00	1.00
p-Coumaroylputrescine +1.574	1888.33	3223.75
p-Coumaroylputrescine +3.5556667	1.00	1.00
p-Coumaroylputrescine +3.809	1.00	1.00
p-Coumaroylputrescine +4.201	1.00	1.00
PD 98059	5002.00	1.00
PDM 11	1.00	1.00
PE(12:0/18:3(6Z,9Z,12Z))	1.00	1.00
PE(13:0/0:0)	7972.67	1.00
PE(13:0/0:0) +5.539	1.00	1.00
PE(14:0/16:0)	1.00	1.00
PE(15:0/0:0)	1.00	1.00
PE(15:1(9Z)/0:0)	30683.00	1.00
PE(15:1(9Z)/0:0) +6.6435003	17563.67	1.00
PE(16:0/0:0)	1.00	1.00
PE(16:0/22:6(54Z,7Z,10Z,12E,16Z,19Z)(14OH))	1.00	1.00
PE(16:0/22:6(54Z,7Z,10Z,12E,16Z,19Z)(14OH)) -0.884	1.00	1.00
PE(16:1(9Z)/0:0)	1.00	58843.50
PE(16:1(9Z)/0:0) +5.642	1.00	1.00
PE(18:1(9Z)/18:1(11Z))	7548.67	6246.25
PE(18:2(9Z,12Z)/0:0)	1.00	4883.00
PE(18:2(9Z,12Z)/0:0) +6.386	1.00	1.00
PE(18:2(9Z,12Z)/0:0) -7.3719997	1.00	1.00
PE(18:3(6Z,9Z,12Z)/0:0)	1.00	2103.25
PE(18:3(6Z,9Z,12Z)/16:0)	1.00	1.00
PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	6453.67	5469.25
PE(18:3(9Z,12Z,15Z)/15:0)	1.00	1.00
PE(18:3(9Z,12Z,15Z)/16:1(9Z))	1.00	1.00
PE(18:4(6Z,9Z,12Z,15Z)/0:0)	1.00	5939.25
PE(18:4(6Z,9Z,12Z,15Z)/0:0) +5.34	1.00	1.00
PE(18:4(6Z,9Z,12Z,15Z)/0:0) -6.8562	1.00	1.00
PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	1.00	1.00
PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	151704.00	27707.00
PE(19:0/0:0)	1.00	172540.50
PE(19:0/0:0) +5.846	61213.00	844801.25
PE(19:0/0:0) +5.978	1.00	12603.00
PE(19:1(9Z)/0:0)	73353.33	10381.75
PE(20:3(8Z,11Z,14Z)/0:0)	1.00	1.00
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	38146.67	32717.75
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) +6.5261	100187.33	71568.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z))	15571.00	15875.50
PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)) -0.892	1.00	1.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))	15861.00	1.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	182466.67	475978.75
PE(22:1(11Z)/0:0)	6208.00	1.00
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	1.00	1.00
PE(24:0/22:4(7Z,10Z,13Z,16Z))	1.00	1.00
PE(24:0/22:4(7Z,10Z,13Z,16Z)) -13.430667	1.00	1.00
PE(24:0/22:4(7Z,10Z,13Z,16Z)) -14.089	1.00	1.00
PE(9:0/9:0)[U]	1.00	101628.50
PE(9:0/9:0)[U] +5.7701426	33443.33	256219.00
PE(9:0/9:0)[U] +5.903	1.00	8105.25
PE(9:0/9:0)[U] +6.47	1.00	1.00
Pederin	16574.67	17106.25
Pederin +11.328334	3185.67	1.00
Pederin +6.074167	29820.33	15798.00
pedilstatin	1.00	1.00
pedilstatin -7.786667	1.00	1.00
Pelargonyl acetic acid	1.00	1.00
Penciclovir	17992.67	1.00
Pencycuron	1.00	1.00
Pendimethalin	1.00	4648.25
Pendimethalin +3.811	1.00	1.00
Pendimethalin +4.205	1.00	1.00
Pendimethalin +6.202	1.00	1.00
Penicillamine disulfide	1.00	1797.00
Penicillenic acid	1.00	1.00
Penicillic acid	5848.00	4129.00
Penicillic acid -1.386	1.00	1.00
Penicillic acid -3.082	1.00	1.00
Penicillic acid +3.266	1.00	1.00
Penicillic acid -3.512	1.00	1.00
Penicillic acid +3.524	1.00	1.00
Penicillic acid +3.532	1.00	1.00
Penicillic acid -3.6166668	1.00	1.00
Penicillic acid -3.709	1.00	1.00
Penicillin G	1.00	4067.25
Penicillin O	1.00	1.00
Penicillin X	59524.00	56956.25
Penicilloate	1.00	1.00
PE-NMe(18:0/18:0)	9424.67	10530.00
PE-NMe2(O-14:0/O-14:0)	6637.00	4000.75
PE-NMe(O-14:0/O-14:0)	1.00	1.00
Pentacarboxyl porphyrinogen III	38124.00	1.00
Pentacarboxyl porphyrinogen III +3.596	3299.67	1.00
Pentacarboxyl porphyrinogen III +3.9445	27671.33	19937.75
Pentachloroethane	79169.67	69398.00
Pentachlorophenol	98690.67	85171.00
Pentaglutamyl folate	1.00	1.00
Pentahomomethionine	4799.67	1.00
Pentobarbital	40553.67	1.00
Pentosidine	1.00	1.00
PE(O-16:0/0:0)	1.00	1.00
PE(O-16:0/15:0)	1.00	13005.25
PE(O-16:0/18:3(9Z,12Z,15Z))	11780.33	9663.75
PE(O-20:0/18:0)	1.00	1.00
PE(O-20:0/18:0) -13.74	1.00	1.00
PE(O-20:0/20:3(8Z,11Z,14Z))	1.00	1.00
PE(P-16:0/16:1(9Z))	1.00	1.00
PE(P-16:0/17:2(9Z,12Z))	1.00	1.00
PE(P-16:0/22:1(13Z))	1.00	3685.75
PE(P-18:0/16:1(9Z))	1.00	1.00
Perflubron	15885.33	16018.50
Pergolide	1.00	1.00
Pergolide +3.485	35360.00	1.00
Pergolide +3.5974998	1.00	1.00
Perindopril	18974.00	32558.75
Perindoprilat lactam A	7046.67	2022.50
Perindoprilat lactam A +4.364	1.00	1.00
Perindoprilat lactam A -6.4379997	1.00	1.00
Perindoprilat lactam A +6.462	1.00	1.00
Perindoprilat lactam A -6.4793334	1.00	1.00
Perindoprilat lactam A +6.492	1.00	1.00
Perindoprilat lactam A +6.4985	1.00	1.00
Perindopril lactam	1.00	1.00
Permethrin	1.00	1.00
Permethrin -4.486	1.00	1.00
Petalopurpurenol	1.00	1.00
Petasitenine	1.00	1.00
Petasitenine +1.193	1.00	1.00
Petromyzonol	3048.33	7713.00
PF-622	1.00	1.00
PF-622 +5.645	1.00	1.00
Pfaffoside A	1.00	1.00
PG(10:0/10:0)	4822.67	5072.75
PG(10:0/10:0)[U]	106271.67	23099.50
PG(12:0/19:0)	1.00	1.00
PG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	10192.67	46344.75
PG(13:0/0:0)	1.00	1.00
PG(13:0/18:2(9Z,12Z))	1.00	1.00
PG(13:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	1.00
PG(13:0/22:0)	1.00	1.00
PG(13:0/22:0) +0.904	4014.00	1.00
PG(14:0/0:0)	1.00	1.00
PG(14:0/0:0) -6.902	1.00	1.00
PG(14:0/0:0) -7.287	1.00	1.00
PG(14:0/0:0)[U]	1.00	1.00
PG(15:0/22:0)	1.00	1.00
PG(16:1(9Z)/0:0)	10341.33	14695.00
PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PG(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	1.00	1.00
PG(18:1(9Z)/0:0)	130224.33	74550.00
PG(18:1(9Z)/0:0) +6.4408007	54491.33	41881.50
PG(18:2(9Z,12Z)/0:0)	1.00	1.00
PG(18:2(9Z,12Z)/0:0) -9.057	1.00	1.00
PG(18:3(9Z,12Z,15Z)/17:1(9Z))	24041.33	1.00
PG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	1.00	1.00
PG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	40143.67	16902.00
PG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) -10.586599	1.00	1.00
PG(19:1(9Z)/0:0)	1.00	1.00
PG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PG(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	24154.67	12893.25
PG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) +9.906	1.00	1.00
PG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	11023.00
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	50239.67	26138.75
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	1.00	1.00
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) +9.077	1.00	1.00
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) +9.884999	1.00	5616.75
PG(22:2(13Z,16Z)/0:0)	1.00	31544.50
PG(22:2(13Z,16Z)/0:0) +11.643714	37000.67	7866.75
PG(22:2(13Z,16Z)/0:0) -9.453875	1.00	1.00
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	3888.75
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) -5.8...	1.00	1.00
PGD2-dihydroxypropanylamine	1.00	1.00
PGE3 1,15-lactone	1.00	1.00
PGI2-EA	1.00	1.00
PGI2-EA -10.587998	1.00	1.00
PGI2-EA -9.705	1.00	1.00
PG(O-16:0/20:2(11Z,14Z))	1.00	1.00
PG(O-16:0/20:2(11Z,14Z)) +0.90250003	6370.67	8314.50
PG(O-16:0/20:2(11Z,14Z)) -10.396334	1.00	1.00
PG(O-16:0/20:2(11Z,14Z)) -10.588583	1.00	1.00
PG(O-16:0/20:2(11Z,14Z)) -9.6698	1.00	1.00
PG(O-16:0/20:2(11Z,14Z)) -9.7075	1.00	1.00
PG(O-18:0/17:0)	1.00	1.00
PG(O-18:0/18:3(6Z,9Z,12Z))	1.00	1.00
PG(O-18:0/18:3(6Z,9Z,12Z)) -10.595445	1.00	1.00
PG(O-18:0/18:4(6Z,9Z,12Z,15Z))	1.00	1.00
PG(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	1.00
PG(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) -9.056	1.00	1.00
PG(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	28179.33	9452.75
PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	17404.33	21606.50
PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) -9.999001	1.00	1.00
PG(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
Phaclofen	1.00	1.00
Phaseolic acid	4882.00	1.00
Phe Arg Ala	1.00	1.00
Phe Asn	1.00	1.00
Phe Cys	1.00	1.00
Phe Cys +4.014	1.00	17585.00
Phe Cys +4.12	1.00	14261.25
Phe Gln Gly	6103.33	1.00
Phe Glu Glu	1.00	1.00
Phe Gly Lys	1.00	1.00
Phe His Arg	1.00	1.00
Phe His Asp	4208.67	1.00
Phe Leu Glu	1.00	1.00
Phe Met Pro	1.00	1.00
Phenanthrene	4114.67	2262.00
Phe-Nap-OH	1.00	1.00
Phenazepam	1.00	1.00
Phencyclidine	5545.67	1.00
Phenethylamine glucuronide	1.00	1.00
Phenformin	8171.67	2518.50
Phenisopham	1.00	1.00
Phenisopham +5.2065	1.00	1.00
Phenisopham -6.694	1.00	1.00
Phenkapton	60262.67	53926.75
Phenkapton +0.877	1.00	1.00
Phenmedipham	16953.67	32963.00
Phenmedipham -4.6435003	1.00	1.00
Phenmedipham +5.368	1.00	23391.00
Phenolsulfonphthalein	1.00	1.00
Phenoperidine	6239.67	4965.00
Phenyl acetate	1.00	1.00
Phenyl acetate +1.665	1.00	34274.75
Phenyl acetate +1.678	3333.67	1.00
Phenyl acetate +1.687	1.00	10714.00
Phenyl acetate -3.519	1.00	1.00
Phenyl acetate -4.9636664	1.00	1.00
Phenylacetothiohydroximate	1.00	1.00
Phenylacetylglycine dimethylamide	40870.00	11736.75
Phenylacetylglycine dimethylamide +1.0666667	36752.00	17273.25
Phenylacetylglycine dimethylamide +1.283	13558.33	1.00
Phenylacetylglycine dimethylamide +2.9910002	21894.67	4983.00
Phenyl beta-D-glucopyranoside	1.00	1812.25
Phenyl beta-D-glucopyranoside +4.015	1.00	1.00
Phenylboronic acid	11392.00	5306.75
Phenylbutyrylglutamine	40443.00	12026.25
?-Phenylcyclohexylglycolic acid	3913.00	1.00
?-PHENYL-gamma-Aminobutyric Acid	7870.33	1.00
?-PHENYL-gamma-Aminobutyric Acid +1.3935001	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +1.655	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +1.717	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +2.1625	1.00	9664.50
?-PHENYL-gamma-Aminobutyric Acid +2.2165	1.00	22671.75
?-PHENYL-gamma-Aminobutyric Acid +3.5725	9413.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +4.08	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +4.372	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +4.668	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +4.7877502	1.00	1.00
?-PHENYL-gamma-Aminobutyric Acid +7.2644997	76864.00	1.00
Phenyl glucuronide	1.00	3878.00
Phenyl glucuronide +1.32	4142.33	1.00
Phenyl glucuronide -1.3863333	1.00	1.00
Phenyl glucuronide +3.141	1.00	1.00
Phenyl glucuronide -3.1825001	1.00	1.00
Phenyl glucuronide -3.183	1.00	1.00
Phenyl glucuronide +3.6685002	109826.67	72243.25
Phenyl glucuronide -3.744	1.00	1.00
Phenyl glucuronide +3.816	1.00	1.00
Phenyl glucuronide -4.051	1.00	1.00
Phenyl glucuronide +4.0656	118066.67	89086.25
Phenylmethanesulfonyl fluoride	15882.33	23918.00
Phenyltoloxamine	1.00	1.00
Phe Phe	32059.33	2887.25
Phe Phe +3.4664998	5914.67	1.00
Phe Phe Cys	1.00	1.00
Phe Phe Gln	1.00	1.00
Phe Phe Gln +5.7875	1.00	1.00
Phe Phe Glu	7758.67	3453.50
Phe Phe Ile	1.00	1.00
Phe Phe Ile -6.77925	1.00	1.00
Phe Phe Thr	1.00	1.00
Phe Pro Ile	1.00	1.00
Phe Pro Ile +5.447	1.00	1.00
Phe Pro Lys	1.00	1.00
Phe Pro Lys -10.3965	1.00	1.00
Phe Pro Lys +5.836	1.00	7894.75
Phe Pro Ser	1.00	1.00
Phe Ser	1.00	1.00
Phe Thr	1.00	1.00
Phe Thr +1.149	1.00	6721.25
Phe Thr +3.186	3861.00	1.00
Phe Thr +3.352	1.00	1.00
Phe Thr His	5417.00	1.00
Phe-Trp-OH	1.00	1.00
Phe-Trp-OH -4.461	1.00	1.00
Phe Trp Phe	1.00	1.00
Phe Val Arg	1.00	21995.50
Phe Val Lys	1.00	1.00
Phillipsiaxanthin/ 1,1^-(OH)2-2,2^-diketo-3,4,3^,4^-tetradeh...	6840.33	1.00
Phorbol 12-tiglate 13-decanoate	96396.33	10418.00
Phorbol 12-tiglate 13-decanoate +6.721286	173147.67	29320.50
Phosphamidon	2696.33	1.00
Phosphodimethylethanolamine	1.00	68999.50
Phosphodimethylethanolamine +1.6	1.00	12439.25
Phospho-L-serine	1.00	2930.75
p-Hydroxyatorvastatin	1.00	1.00
p-Hydroxydextroamphetamine	1.00	1.00
p-Hydroxydextroamphetamine +1.6225	1.00	1.00
p-Hydroxyfelbamate	1.00	1.00
p-Hydroxymeperidine	1.00	1.00
p-Hydroxymexiletine	1.00	1.00
p-Hydroxynorpropoxyphene	1.00	1.00
p-Hydroxynorpseudoephedrine	1.00	11038.00
p-Hydroxyphenylacetothiohydroximate	1.00	1.00
p-Hydroxyphenylacetothiohydroximate -4.043	1.00	1.00
p-Hydroxyphenylacetothiohydroximate -4.149	1.00	1.00
p-Hydroxyphenylacetothiohydroximate -5.001	1.00	1.00
p-Hydroxyphenylacetothiohydroximate -6.896	1.00	1.00
p-Hydroxyphenytoin glucuronide	1.00	4650.75
p-Hydroxytriamterene	3631.00	1.00
p-Hydroxytriamterene +3.073	1.00	1.00
Phyllalbine	4235.67	23745.00
Phyllalbine +3.672	1.00	1.00
Phyllalbine +4.173	1.00	1.00
Phyllalbine +5.491	16009.67	5690.00
Physoperuvine	1065907.00	1184970.50
Physoperuvine +3.168	12680.67	1.00
Physoperuvine +3.2265003	249134.00	154682.25
Physoperuvine +3.608	2818.33	1.00
Physoperuvine +3.689	2729.00	1.00
Physoperuvine +3.882333	15317.67	1.00
Physoperuvine +5.1922503	9216.00	8506.25
Physovenine	5969.33	1783.25
Physovenine -5.4121113	1.00	1.00
Phytolaccoside B	1.00	1.00
Phytophthora mating hormone alpha1	1.00	2058.75
Phytosphingosine	1.00	1874.00
Phytosphingosine +10.8575	1.00	1956.25
Phytuberin	53685.00	57204.25
Phytuberin -10.07875	1.00	1.00
Phytuberin -10.589714	1.00	1.00
Phytuberin +1.145	1.00	1.00
Phytuberin +12.287	1.00	1.00
Phytuberin -13.112	1.00	1.00
Phytuberin -13.4278755	1.00	1.00
Phytuberin -13.720374	1.00	1.00
Phytuberin -14.090084	1.00	1.00
Phytuberin +4.556	22348.33	1.00
Phytuberin -9.453625	1.00	1.00
Phytuberin -9.52	1.00	1.00
Phytuberin -9.886	1.00	1.00
Phytyl phosphate	1.00	1.00
PI-103	1.00	1.00
PI(12:0/12:0)	293002.33	496967.25
PI(12:0/12:0) +11.752801	12371.00	12669.25
PI(12:0/12:0) +11.812812	52555.33	52776.00
PI(12:0/12:0) +11.881	1.00	1359.50
PI(12:0/12:0) +6.2968884	82142.00	228998.50
PI(12:0/17:2(9Z,12Z))	1.00	1.00
PI(12:0/18:2(9Z,12Z))	1.00	1.00
PI(12:0/20:4(5Z,8Z,11Z,14Z))	12478.00	26500.50
PI(12:0/20:4(5Z,8Z,11Z,14Z)) +12.485749	39811.00	14074.25
PI(12:0/20:4(5Z,8Z,11Z,14Z)) -7.02	1.00	1.00
PI(12:0/20:4(5Z,8Z,11Z,14Z)) +7.912	1.00	1.00
PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	4986.25
PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) -7.83	1.00	1.00
PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) -7.865	1.00	1.00
PI(13:0/21:0)	1.00	1.00
PI(13:0/21:0) +7.207	1.00	1.00
PI(13:0/21:0) -7.76375	1.00	1.00
PI(13:0/21:0) -8.196	1.00	1.00
PI(13:0/21:0) -9.059667	1.00	1.00
PI(14:0/18:3(9Z,12Z,15Z))	1.00	1.00
PI(14:1(9Z)/14:1(9Z))	1.00	1.00
PI(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	3465.67	1.00
PI(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) -9.233	1.00	1.00
PI(15:1(9Z)/22:4(7Z,10Z,13Z,16Z))	1.00	1.00
PI(16:0/18:2(9Z,12Z))	1.00	1.00
PI(16:0/18:2(9Z,12Z)) -8.443	1.00	1.00
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) -10.587	1.00	1.00
PI(17:0/0:0)	1.00	1.00
PI(17:0/13:0)	1.00	1.00
PI(17:0/22:1(11Z))	1.00	1.00
PI(17:1(9Z)/0:0)	1.00	1.00
PI(17:1(9Z)/0:0) -7.406	1.00	1.00
PI(17:1(9Z)/0:0) -7.535	1.00	1.00
PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	1.00	1.00
PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) -10.566	1.00	1.00
PI(18:0/16:1(9Z))	1.00	5197.75
PI(18:0/16:1(9Z)) -7.771	1.00	1.00
PI(18:0/16:1(9Z)) +9.057	1.00	1.00
PI(18:2(9Z,12Z)/16:1(9Z))	1.00	1.00
PI(18:3(6Z,9Z,12Z)/18:0)	1.00	1.00
PI(19:1(9Z)/0:0)	1.00	1.00
PI(19:1(9Z)/15:1(9Z))	1.00	1.00
PI(19:1(9Z)/18:2(9Z,12Z))	1.00	1.00
PI(19:1(9Z)/18:2(9Z,12Z)) -9.709	1.00	1.00
PI(20:1(11Z)/0:0)	1.00	1.00
PI(20:2(11Z,14Z)/17:2(9Z,12Z))	1.00	1.00
PI(20:3(8Z,11Z,14Z)/12:0)	1.00	1.00
PI(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1.00	3019.50
PI(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)	1.00	5049.00
PI(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	1.00	4084.50
PI(22:0/18:3(9Z,12Z,15Z))	1.00	1.00
PI(22:1(11Z)/0:0)	359726.67	700641.50
PI(22:1(11Z)/0:0) +11.772334	6772.00	10239.50
PI(22:1(11Z)/0:0) +11.831626	37940.00	40596.50
PI(22:1(11Z)/0:0) +6.196	19565.67	96741.25
PI(22:1(11Z)/0:0) +6.283	1.00	736684.75
PI(22:4(7Z,10Z,13Z,16Z)/17:0)	1.00	7330.25
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	1.00	1.00
Piceid	1.00	2806.50
Picein	1.00	1.00
Picolinic acid	260175.33	204616.25
Picolinic acid +1.2438571	243461.00	60917.50
Picolinic acid +1.5793749	184258.33	153789.50
Picrasin A	1.00	1.00
Picrasin A +7.538	1.00	1.00
Picrasin C	1.00	1.00
Pikromycin	17767.00	10777.50
Pilocarpidine	168943.00	1.00
Pimelea factor P2	1.00	1.00
Pimelic Diphenylamide 106	1.00	1.00
Pimethixene	5996.33	1.00
Pinacidil	1.00	27222.00
Pinacidil +5.249	1.00	1.00
Pinacidil-N-Oxide	1.00	1.00
Pinacidil-N-Oxide +5.171	1.00	1.00
Pinacidil-N-Oxide +6.5625	4863.67	2351.25
(-)-Pinoresinol glucoside	1.00	1.00
PI(O-16:0/0:0)	1.00	1.00
PI(O-16:0/13:0)	13784.00	6337.25
PI(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
PI(P-16:0/0:0)	1.00	1.00
PI(P-16:0/0:0) -9.1105	1.00	1.00
PI(P-16:0/0:0) -9.1618	1.00	1.00
PI(P-16:0/12:0)	1.00	1.00
PI(P-16:0/16:0)	1.00	1.00
PI(P-16:0/17:2(9Z,12Z))	1.00	1.00
PIP(16:0/20:2(11Z,14Z))	1.00	1.00
PIP(16:1(9Z)/18:0)	1.00	1.00
PIP(16:1(9Z)/18:0) -10.0	1.00	1.00
PI(P-18:0/17:2(9Z,12Z))	1.00	1.00
PI(P-18:0/17:2(9Z,12Z)) +10.6115	1.00	1.00
PI(P-18:0/17:2(9Z,12Z)) +9.076333	2991.33	1.00
PI(P-20:0/17:2(9Z,12Z))	1.00	1.00
PI(P-20:0/17:2(9Z,12Z)) -13.721667	1.00	1.00
PI(P-20:0/17:2(9Z,12Z)) +9.077	1.00	1.00
Piperaduncin B	1.00	1.00
Piperaduncin B -7.863	1.00	1.00
Piperaduncin B -8.446	1.00	1.00
Piperazine, 1-(3-chlorophenyl)- (m-CPP)	1.00	6343.75
Piperideine	1.00	7044.75
Piperideine +1.088	1.00	46005.50
Piperidine	360718.67	328190.50
Piperidine +0.9323333	7801.33	10972.50
Piperidine +1.622	1.00	13091.50
Piperidine +1.9324999	34693.67	1.00
Piperidine +1.9938571	47793.67	28950.75
Piperidine +2.228	9628.00	1.00
Piperidine +2.2641666	26920.00	42052.75
Piperidine +3.006	1.00	14449.50
Piperidione	185654.67	207881.25
Piperidione +5.1913333	22184.00	22499.50
Piperonal	1.00	1.00
Piperonyl sulfoxide	4156.67	9953.50
Piperyline	1.00	1.00
Pipobroman	6306.33	1.00
Pirbuterol	7123.00	1.00
Pirbuterol +2.589	10980.00	1.00
Pirenperone	1.00	1.00
Pirenzepine	1.00	1985.75
Pirenzepine +5.02	1.00	1476.75
Piretanide glucuronide	1.00	1.00
Piretanide glucuronide +12.3182	2078.67	1471.00
Pirimicarb	172121.67	191740.25
Pirimicarb +1.698	4590.67	1.00
Pirimicarb +3.509	7212.00	1.00
Piscidic Acid	10699.67	10119.00
Piscidic Acid +1.324	1.00	1.00
Pivalic acid	1.00	20601.50
Pivalic acid -3.943	1.00	1.00
Pivampicillin	1.00	1.00
p-Lactophenetide	1.00	3556.75
p-Lactophenetide +1.3770001	1.00	1.00
p-Lactophenetide +1.825	1.00	1.00
p-Lactophenetide +3.62	1.00	1.00
p-Lactophenetide +4.179	1.00	1.00
p-Lactophenetide +5.837	21175.67	48079.75
Platycodin D	1.00	2998.25
Platycodin D -6.898	1.00	1.00
Platydesmine	28426.33	30062.00
Platydesmine +3.625	1.00	1.00
Platydesmine +4.4875	16957.33	4470.25
Platydesmine +5.762	1.00	1.00
Pleurostyline	171247.67	218674.25
Pleurostyline +5.791	2747.00	1.00
Pleurostyline +5.847111	47203.33	96679.25
Pleurostyline +5.936	59094.67	42616.50
Pleurostyline +5.936333	162579.67	243776.00
Pleurostyline +6.09025	9981.33	1.00
(+)-Plicamine	1.00	1.00
(+)-Plicamine -7.144	1.00	1.00
p-menthane skeleton	92469.00	94777.00
p-Nitroglutethimide	1.00	1.00
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid	1.00	1.00
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid -5.066	1.00	1.00
Podolide	1.00	9970.75
Podolide +3.566	1.00	1.00
Polidocanol	1.00	1.00
Polisteskinin JT	1.00	1.00
Polygonolide	1.00	15306.00
Polygonolide +3.138	1.00	7720.25
Polygonolide +4.15	1.00	15255.50
Pongamoside A	1.00	1.00
Pongamoside B	1.00	1.00
Populin	43071.67	53100.00
Populin -6.3193336	1.00	1.00
Populin +6.3373995	1.00	11227.00
Populin -6.4525003	1.00	1.00
Porphobilinogen	1.00	2421.00
Porphyrin	1.00	7009.50
Powelline	1.00	1.00
Powelline +3.686	1.00	1.00
Powelline +4.7239995	1.00	1.00
Powelline +6.766333	17716.67	4926.75
PPA(18:1(9Z)/18:1(9Z))	29392.33	16256.00
p-Phenetidine	1.00	1.00
p-Phenetidine -5.7875	1.00	1.00
p-Phenetidine -5.984	1.00	1.00
p-Phenetidine -6.079	1.00	1.00
PPOH	1.00	1.00
Practolol	9832.33	1.00
Practolol +3.7315001	1.00	1.00
Practolol +3.937667	6342.00	26826.25
Practolol +4.0452857	9037.67	31333.75
Practolol +6.0	1.00	1.00
Pralidoxime	1.00	4961.50
Prasterone sulfate	1.00	1.00
Prasterone sulfate -6.6526666	1.00	1.00
Prasterone sulfate -7.292	1.00	1.00
Pratensin A	1.00	1.00
pravastatin dihydrodiol	1.00	1.00
Praziquantel	1.00	1.00
Praziquantel +4.49	5347.67	1.00
Precorrin 6X	1.00	1.00
Prednicarbate	2689.33	4446.25
Pregna-4,16-diene-3,11,20-trione	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -10.567	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -10.914187	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -10.969001	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -11.025813	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -11.035	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -11.168564	1.00	1.00
Pregnanolone sulfate	1.00	1.00
Prenalterol	1.00	1.00
Prenyletin	1.00	1.00
Prenyletin +3.214	1.00	1.00
Prenyl-L-cysteine	1.00	1.00
Prenyl-L-cysteine -4.617	1.00	1.00
Presqualene diphosphate	1.00	1.00
Presqualene diphosphate -5.369	1.00	1.00
Pridinol	1.00	1.00
Prilocaine	1.00	21439.50
Prilocaine +5.0662856	6633.67	13171.00
Prinomide	1.00	1.00
Pristimerin	1.00	1.00
Proacacipetalin	1.00	1.00
Proacacipetalin +1.0162001	1.00	11645.00
Proacacipetalin -5.372	1.00	1.00
Pro Ala	118558.67	33480.00
Pro Ala +1.4025	17558.67	13987.75
Pro Ala -1.61325	1.00	1.00
Pro Ala Asp	1.00	27868.75
Pro Arg	5510.67	9854.25
Pro Arg +1.2925	7308.00	17246.25
Pro Arg +4.29	1.00	1.00
Pro Arg Pro	1.00	1.00
Pro Arg Pro +10.6165	2445.33	1.00
Pro Arg Pro +5.726	1.00	1.00
Pro Arg Val	1.00	1.00
Pro Asn	14356.00	1.00
Probenazole	14039.33	1.00
Procaterol	1.00	1.00
Procaterol +6.215	1.00	5192.00
Procaterol +7.089	1.00	6629.75
Progeldanamycin	1.00	1.00
Pro Gln Glu	1.00	1.00
Pro Gln Pro	1.00	1915.75
Pro Gln Val	1.00	1.00
Pro Glu	1.00	16619.75
Pro Glu +1.6348572	1.00	5494.75
Pro Glu Ile	1.00	1.00
Pro Glu Ile +1.395	1.00	2399.50
Pro Glu Pro	1.00	1.00
Pro Glu Pro +3.59	1.00	1.00
Pro Gly Ile	6537.33	1.00
Pro Gly Pro	1.00	1.00
Pro Gly Pro +3.5110002	5414.67	1.00
Pro Gly Tyr	1.00	1.00
Pro His	41684.33	23622.00
Pro His Pro	1.00	1.00
Prohydrojasmon	1.00	1.00
Prohydrojasmon +9.028	1.00	1.00
Pro Ile Val	1.00	3919.50
Proline betaine	1.00	28738.00
Pro Lys Ala	17644.33	5037.50
Pro Lys Ala +4.179	1.00	1.00
Pro Lys Gln	1.00	8516.00
Promacyl	1.00	1.00
Promacyl +3.81	1.00	1.00
Promacyl -7.6215	1.00	1.00
Promacyl +7.6416664	1.00	1.00
Promazine	1.00	1.00
Pro Met	1.00	1.00
Pro Met +3.715	13419.00	1.00
Pro Met +3.7465	17081.67	8603.50
Pro Met +4.429	1.00	1.00
Propane-1,2-diol 1-phosphate	1.00	1.00
Propanoylagmatine	6328.67	1.00
Propargite	1.00	1.00
Propham	1.00	1.00
Propham +7.3615	73148.00	1.00
Pro Phe	1.00	1.00
Pro Phe Tyr	1.00	1.00
Propiomazine	89674.67	90050.75
Propionylglycine	1.00	15562.50
Propionylglycine +1.202	4209.00	1.00
Propionylglycine +1.68025	15838.00	5902.50
Propionyl-L-carnitine	5431.33	1.00
Propionyl-L-carnitine +4.672	1.00	6938.25
Propiverine	3028.00	3075.25
Propoxur	1.00	11923.50
Propoxur -10.446667	1.00	1.00
Propoxur +1.9109999	1.00	1.00
Propoxur +3.3954003	1.00	1.00
Propoxur +3.43	1.00	4764.75
Propoxur +3.4861667	1.00	7254.50
Propoxur +3.502	1.00	1.00
Propoxur +3.741	1.00	1.00
Propoxur +4.3094997	1.00	1.00
Propranolol glucuronide	1.00	3136.75
Propranolol glucuronide +5.213	1.00	5286.50
Pro Pro Ala	1.00	1.00
Pro Pro Arg	2645.00	1.00
Pro Pro Arg -7.3636665	1.00	1.00
Pro Pro Arg -7.624	1.00	1.00
Pro Pro Asn	2531.33	1.00
Pro Pro His	1.00	1.00
Pro Pro Lys	9714.33	1.00
Pro Pro Lys +1.077	1.00	5099.00
Pro Pro Met	1.00	1.00
Pro Pro Met -4.715	1.00	1.00
Pro Pro Val	1.00	1.00
Pro Pro Val +4.028	1.00	1.00
Propylpyrazole Triol	1.00	1.00
Propyzamide	1.00	6621.25
Proscillaridin A	1.00	1.00
Proscillaridin A -11.765666	1.00	1.00
Proscillaridin A -11.851666	1.00	1.00
Proscillaridin A -11.896667	1.00	1.00
Proscillaridin A -11.97275	1.00	1.00
Proscillaridin A -6.892	1.00	1.00
Proscillaridin A -6.9135	1.00	1.00
Proscillaridin A -8.847143	1.00	1.00
Proscillaridin A -8.878	1.00	1.00
Pro Ser Ala	1.00	1.00
Pro Ser Asp	1.00	1.00
Pro Ser Pro	5272.67	5441.25
Prosolanapyrone III	8811.33	21182.00
Prosolanapyrone III +1.403	1.00	1.00
Prosopinine	1.00	1.00
Prostaglandin E2 p-benzamidophenyl ester	26159.67	18676.00
Prosulfocarb	1.00	1.00
Prothiocarb	1.00	1.00
Prothiocarb +1.042	1.00	2884.00
Pro Thr Leu	2854.67	1.00
protoporphyrin IX	1.00	1.00
protoporphyrin IX +1.618	1.00	1.00
protoporphyrin IX -8.266	1.00	1.00
Protoveratrine A	1.00	2529.50
Pro Trp Met	1.00	20000.75
Pro Trp Phe	1.00	1.00
Pro Val	22635.00	1.00
Pro Val +1.4015	5674.33	2787.50
Pro Val +1.6525	25765.33	5152.50
Pro Val -3.413	1.00	1.00
Pro Val Asn	1.00	1.00
Pro Val Asn +1.3911667	12828.67	4883.50
Pro Val Asn +3.6245	2275.67	1.00
Pro Val Asn +4.0038	1.00	2447.75
Pro Val Asn -7.5230002	1.00	1.00
Pro Val Asp	1.00	10241.25
Pro Val Val	1.00	1928.25
PS(12:0/0:0)	1.00	1.00
PS(12:0/18:3(6Z,9Z,12Z))	1.00	1.00
PS(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	4360.50
PS(14:0/15:0)	1.00	1.00
PS(14:1(9Z)/0:0)	1.00	7146.75
PS(14:1(9Z)/0:0) +5.955	1.00	3233.00
PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	1.00	1.00
PS(15:1(9Z)/17:1(9Z))	1.00	1.00
PS(16:0/0:0)	1.00	1.00
PS(16:0/0:0) -6.43	1.00	1.00
PS(17:0/22:1(11Z))	1.00	1.00
PS(17:0/22:1(11Z)) +12.13	1.00	1.00
PS(18:0/0:0)	1.00	10981.75
PS(18:0/0:0) +11.664083	52412.00	43820.75
PS(18:1(9Z)/0:0)	1.00	1.00
PS(18:1(9Z)/0:0) -7.274	1.00	1.00
PS(18:1(9Z)/0:0) -7.6295	1.00	1.00
PS(18:2(9Z,12Z)/12:0)	1.00	1.00
PS(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	6018.25
PS(19:0/0:0)	53111.67	251864.50
PS(19:0/0:0) +11.876	7455.67	2291.00
PS(19:0/0:0) +5.918	1.00	256395.50
PS(19:0/0:0) +5.970375	34924.00	226451.00
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	37164.67	1.00
PS(19:1(9Z)/14:1(9Z))	14751.33	29404.50
PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	7377.67	1.00
PS(20:1(11Z)/0:0)	1.00	1.00
PS(20:1(11Z)/14:0)	1.00	1.00
PS(22:0/22:0)	1.00	7299.50
PS(22:0/22:0) +14.582001	5438.67	1.00
PS(22:2(13Z,16Z)/0:0)	30236.33	24797.75
PS(22:2(13Z,16Z)/0:0) +12.328	1.00	1.00
PS(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	1.00	1.00
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	1.00	1.00
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))	1.00	5603.50
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
Pseudaminic acid	1.00	2355.00
Pseudaminic acid +1.007	7431.00	1.00
Pseudaminic acid -3.415	1.00	1.00
Pseudolycorine	1.00	1.00
Pseudolycorine +4.255	1.00	1.00
Pseudopelletierine	1.00	4899.25
Pseudopelletierine +1.628	1.00	1.00
Pseudoprotodioscin	1.00	1.00
Pseudorhodomyrtoxin	1.00	1.00
Pseudouridine	19683.33	10109.25
Pseudouridine -1.094	1.00	1.00
Pseudouridine -1.331	1.00	1.00
Pseudouridine +1.33525	1.00	11941.25
Pseudouridine -1.6374445	1.00	1.00
Pseudouridine -1.6897999	1.00	1.00
Psilocybin	1.00	1.00
PSN375963	1.00	11575.75
PSN632408	1.00	1.00
PSN632408 +10.371	1.00	1.00
PS(O-16:0/0:0)	21914.67	52889.75
PS(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	5961.25
PS(O-18:0/17:0)	1.00	1.00
PS(O-20:0/0:0)	109212.33	1427325.50
PS(O-20:0/0:0) +5.8921113	20960.33	366246.50
PS(O-20:0/14:1(9Z))	36649.00	19317.75
PS(O-20:0/16:0)	6320.00	1.00
PS(O-20:0/17:2(9Z,12Z))	1.00	4680.50
PS(P-16:0/0:0)	1.00	1.00
PS(P-16:0/0:0) +11.6375	8658.67	12840.00
PS(P-16:0/0:0) +11.699564	81406.33	87491.25
PS(P-16:0/14:1(9Z))	1.00	1.00
PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	5747.33	4254.25
PS(P-18:0/0:0)	1.00	1.00
PS(P-18:0/0:0) +6.814	12300.33	1.00
PS(P-20:0/0:0)	120096.00	849483.50
PtdIns-(3,4,5)-P3 (1-stearoyl, 2-docosahexaenoyl)	1.00	1.00
PtdIns-(5)-P1 (1,2-dipalmitoyl)	1.00	1.00
Pteridine	7509.00	26361.50
Ptilosteroid A	1.00	1.00
Putrescine	1.00	1.00
Pymetrozine	1.00	6158.00
Pymetrozine +3.262	3922.33	1.00
Pymetrozine +3.805	2660.33	1.00
Pyocyanine	1.00	8489.50
Pyracarbolid	1.00	1.00
Pyrazinamide	1.00	1.00
Pyrazosulfuron	1.00	1.00
Pyributicarb	1.00	1.00
Pyriculol	11293.00	1.00
Pyridine	1.00	3355.00
Pyridostigmine	9388.67	3910.75
Pyridoxamine-5^-Phosphate	1.00	1.00
Pyrimethanil	1.00	4207.75
Pyrimidodiazepine	200538.33	238156.50
Pyrimidodiazepine +1.0908333	65458.00	28122.00
Pyrithiobac	3805.00	8048.50
Pyrithiobac -4.1235	1.00	1.00
Pyroquilon	1.00	1.00
Pyroquilon +3.979	1.00	1.00
Pyroquilon +4.4876666	1.00	6851.75
Quercetagetin 5,6,7,3^,4^-pentamethyl ether	1.00	1.00
Quercetin 3-(2^^-galoylrutinoside)	1.00	1.00
Quercetin 3-O-(6-O-malonyl-?-D-glucoside)	1.00	1.00
Quercetin 3-sambubioside-3^-glucoside	3736.33	1.00
Quercetin 5,7,3^,4^-tetramethyl ether 3-rutinoside	1.00	1.00
(+)-Quercitol	1.00	11623.50
Queuine	1.00	2794.50
Queuine +1.0025	1.00	1.00
Queuine +2.659	1.00	1.00
Queuosine	16084.33	2636.50
Quinacetol	197592.00	139253.75
Quinacetol +4.446	1.00	1.00
Quinagolide	125662.67	134541.25
Quinagolide +6.7464447	63836.67	74294.25
Quinamide Isopropylidene	1.00	10343.00
Quinamide Isopropylidene +1.689	1.00	1.00
Quinaprilat	1.00	6939.75
Quinidine-10,11-dihydrodiol	1.00	3497.75
Quinidinone	1.00	1.00
Quinine Ethyl Carbonate	1.00	1.00
Quinoline alkaloid	1.00	1.00
Quinoxaline	1.00	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate	1.00	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate -1.1296667	1.00	1.00
(R)-2-Hydroxybutane-1,2,4-tricarboxylate	1.00	1.00
(R)-2-Hydroxybutane-1,2,4-tricarboxylate +0.885	12959.67	15357.50
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	728310.67	416440.50
(R)-(+)-2-Pyrrolidone-5-carboxylic acid -1.3888001	1.00	1.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid +1.398	1.00	1.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid -1.559	1.00	1.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid -1.6190834	1.00	1.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid +1.622	1.00	1.00
(R)-3,4-Dimethoxydalbergione	1.00	1.00
(R)-4^-Deoxyindenestrol	1.00	1.00
(R)-AMAA	1.00	3019.50
Ramifenazone	31794.00	1.00
Randainol	1.00	1.00
Ranunculin	1.00	1.00
Raucaffricine	1.00	1.00
Red chlorophyll catabolite	1.00	12926.50
Red chlorophyll catabolite +9.1275	1.00	8725.00
Remikiren	1.00	5433.50
Remikiren +5.5135	131798.67	813522.00
Remikiren +5.6701665	9255.33	33322.50
Remikiren +5.6755	1.00	18978.00
Remikiren +6.137	1.00	2303.50
Repin	1.00	1.00
Repin +5.517	1.00	1.00
Repin -5.736	1.00	1.00
Repin -6.115	1.00	1.00
Repin +6.1305	1.00	1.00
(R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl eth...	1.00	1.00
Resiniferatoxin	1.00	16265.50
Resolvin D4	86930.00	84786.25
Resolvin D4 +12.729698	8396.67	3890.50
Resolvin D4 +5.591	1.00	18538.50
Resolvin D4 +5.6595006	1.00	20968.75
Resolvin D4 +5.753	1.00	1.00
Resolvin E2	1.00	1.00
Retinyl glucuronide	1.00	1.00
Retinyl glucuronide +7.276	1.00	1.00
Retreversine	1.00	4935.75
Retronecine	1.00	1.00
Retronecine +3.4016666	182101.67	1.00
Retronecine +4.2815	1.00	1.00
Retronecine +4.491	1.00	1.00
Retusoquinone	1.00	16271.00
Retusoquinone +6.804	1.00	5610.25
Retusoquinone +9.474	1.00	3929.75
(R)-Flurbiprofen	1.00	1.00
RG-14620	1.00	1.00
Rhipocephalin	1.00	1.00
Rhizocticin A	5083.33	3268.50
Rhizocticin A +4.872	1.00	1.00
(R)-(Homo)3-citrate	1.00	1.00
Riboflavin (Vitamin B2)	2657.67	1.00
Ribose triphosphate	9836.33	6406.75
Rifamycin	1.00	1929.25
Rifamycin +6.599	1.00	3787.50
Rifamycin Z	1.00	1.00
Rilmenidine	119321.67	34282.50
(R)-Indenestrol A	1.00	1.00
Ripazepam	20601.00	1.00
Ripazepam -3.931	1.00	1.00
Rishitin	1.00	1.00
Rishitin -10.58	1.00	1.00
Rishitin -11.446188	1.00	1.00
Rishitin -13.428584	1.00	1.00
Rishitin -13.721308	1.00	1.00
Rishitin -14.087999	1.00	1.00
Rishitin +3.9676666	7731.67	10648.00
Rishitin +5.181	1.00	17232.50
Rishitin -8.740714	1.00	1.00
Rishitin +8.914	2509.00	1.00
Rishitin +8.92	1.00	1.00
Rishitin -9.541	1.00	1.00
Risperidone	1.00	1.00
Risperidone -7.1718	1.00	1.00
Risperidone -7.3375	1.00	1.00
Risperidone -7.467834	1.00	1.00
Risperidone -7.6067495	1.00	1.00
Risperidone -7.747	1.00	1.00
Risperidone -7.7713337	1.00	1.00
Risperidone -7.8268	1.00	1.00
Ritanserin	1.00	2685.00
Rivastigmine	1.00	1.00
Rivastigmine +3.207	1.00	248183.25
Rivastigmine +4.6425	1.00	1.00
Rivastigmine -4.775	1.00	1.00
(R)-Lactate	1.00	1.00
(R)-Lactate -1.3878	1.00	1.00
Ro 31-7549	1.00	1.00
RO 40-5966 (Methylmibefradil Metabolite)	21328.67	37578.75
RO 40-5966 (Methylmibefradil Metabolite) +10.148	1.00	1.00
Robustaol A	1.00	1.00
Robustaol A -3.42	1.00	1.00
Robustine	1.00	9096.25
Rogioldiol A	1.00	1.00
Rolitetracycline	1.00	1.00
Rosaniline	13673.67	11767.25
Rosmarinine	1.00	22969.50
Rosmarinine -4.715	1.00	1.00
RU-0211	1.00	1.00
Rubraflavone C	1.00	1.00
Rubusoside	1.00	1.00
Rubusoside -6.7200003	1.00	1.00
Rugosinone	1.00	1.00
Rugosinone -6.944	1.00	1.00
Rutaecarpine	1.00	1.00
Rutaecarpine +4.066	1.00	1.00
Ryanodine	1.00	1.00
S 1319	1.00	1.00
S-(2,4-Dinitrophenyl)glutathione	1.00	1.00
(S)-2-Ethyl-3-hydroxypropionic acid	21383.00	3524.25
(S)-2-Ethyl-3-hydroxypropionic acid -3.281	1.00	1.00
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine	1.00	4511.00
S-(2-Methylbutanoyl)-dihydrolipoamide	1.00	2782.00
S-(2-Methylbutanoyl)-dihydrolipoamide +1.354	1.00	1.00
S-(2-Methylpropionyl)-dihydrolipoamide-E	4077.33	1.00
(S)-3^-Hydroxycoclaurine	22926.00	7774.00
S-(3-Methylbutanoyl)-dihydrolipoamide-E	1.00	1.00
(S)-5-Deoxyindenestrol	1.00	4045.75
(S)-6-O-Methylnorlaudanosoline	1.00	1.00
Saccharin	1.00	1.00
S-Acetyldihydrolipoamide-E	1.00	1.00
Sachaliside 2	1.00	1.00
Sachaliside 2 -6.9323335	1.00	1.00
Sagittatoside B	1.00	1.00
Salermide	1.00	3189.25
Salicin	1.00	1.00
Salicyluric acid	1.00	7237.25
Salidroside	1.00	1.00
Salidroside +0.987	1.00	4188.00
Salidroside +1.625	1.00	1.00
S-Allyl-L-cysteine	65902.33	1.00
S-Allyl-L-cysteine +1.684	32326.00	1.00
Salsalate	1.00	1.00
(-)-Salvisyriacolide	1.00	1.00
(-)-Salvisyriacolide -6.902	1.00	1.00
Samandarine	4409.67	1.00
Saphenic acid methyl ester	1.00	1.00
Saquinavir	19157.33	17301.00
Sarcostin	1.00	1.00
Sarmentosin epoxide	1.00	1.00
Sarmentosin epoxide -1.067	1.00	1.00
Sarmentosin epoxide -1.312	1.00	1.00
Sarpagine	1.00	1.00
Sarracine	4055.33	9588.50
Sarracine +5.326	1.00	4873.00
(S)-ATPA	1.00	1.00
(S)-ATPA +1.352	1.00	1.00
(S)-ATPA +3.1605003	4393.33	47924.75
(S)-ATPA +3.2523334	1.00	1.00
(S)-ATPA -3.727	1.00	1.00
Satratoxin H	1.00	1.00
Satratoxin H -9.058	1.00	1.00
Saxitoxin	1.00	1.00
SB 200646	1.00	1.00
SB 206553	1.00	1.00
SB 218655	1.00	7650.25
SB 218655 +1.398	1.00	1.00
SB 243213	1.00	1.00
SB 431542	1.00	1.00
(S)-b-amino-isobutyric acid	6629.67	1.00
(S)-beta-Methylindolepyruvate	1.00	1.00
Scandoside methyl ester	1.00	1.00
Scarlet Red	1.00	1.00
(+)-Sceletium A4	1.00	1.00
Schizandrin	1.00	1.00
Schizandrin C	1.00	1.00
Schizandrin C -6.747	1.00	1.00
Schizonepetoside E	1.00	1.00
Sciadopitysin	1.00	1.00
Sciadopitysin +6.714	1.00	1.00
Scillabiose	1.00	5650.50
Scillaren A	1.00	1.00
Sclerotiorin	1.00	1.00
Scopolamine N-oxide	1.00	1.00
Scopolamine N-oxide +5.979	1.00	4907.75
Scopolamine N-oxide +6.2305	1.00	5086.75
Scopolin	1.00	1.00
Scorpioidin	1.00	1.00
Scutellarein 6,4^-dimethyl ether 7-(3^^^-acetylrutinoside)	1.00	1.00
Se-Adenosylselenohomocysteine	1.00	1.00
Secbumeton	1.00	1.00
Secnidazole	287511.00	125101.25
Secnidazole +1.277	207597.33	56994.25
Secnidazole -1.3566666	1.00	1.00
Secobarbital	1.00	9865.00
Secobarbital +0.99249995	28366.00	26480.50
Secobarbital +1.395	4833.00	7452.50
Secogalioside	1.00	1.00
sec-o-Glucosylhamaudol	1.00	7175.75
Selamectin	1.00	1.00
Selenocystine	1.00	1.00
Semustine	1.00	1.00
Senaetnine	1.00	5394.75
Senaetnine +1.394	1.00	1.00
Senaetnine -3.514	1.00	1.00
Senaetnine +4.322	1.00	28721.50
Sennoside D	2083.67	1.00
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide	13083.00	3796.00
Ser-Abu-OH	1.00	5741.75
Ser Arg	1.00	11536.75
Ser Asn Thr	1.00	1.00
Ser Asn Val	1.00	15970.50
Ser Asn Val -0.9353333	1.00	1.00
Ser Gln Gln	1.00	1.00
Ser-Gly-OH	1.00	22744.25
Ser-Gly-OH +5.244	1.00	7886.00
Ser Gly Ser	1.00	1.00
Ser His His	1.00	1.00
Ser His His -10.078199	1.00	1.00
Ser His His +5.527	1.00	2718.50
Ser His His +5.567	1.00	12271.75
Ser His Lys	1.00	1.00
Sericetin Diacetate	1.00	1.00
Ser-Ile-OH	1.00	5661.75
Ser-Ile-OH +1.103	1.00	1.00
Ser-Ile-OH +1.629	1.00	1.00
Ser Lys Ile	1.00	1.00
Ser Lys Ile +0.95	10030.00	1.00
Ser-Lys-OH	1.00	1.00
Ser Met Asp	1.00	1.00
Ser Met Leu	1.00	1.00
Ser-Met-OH	1.00	1.00
Ser-Met-OH -3.484	1.00	1.00
Serotonin	1.00	20236.00
Ser Pro Pro	1.00	4195.25
Serratanidine	14437.33	55608.00
Serratine	1.00	9191.50
Serratine +3.1	1.00	12454.75
Serratine +4.05	1.00	6861.50
Serratine +4.169	1.00	2542.00
Serratine +4.355	1.00	9337.00
Ser Ser Asp	13603.67	1.00
Ser-Ser-OH	1.00	1.00
Ser-Ser-OH -1.288	1.00	1.00
Ser-Ser-OH -1.613	1.00	1.00
Ser-Ser-OH -1.638	1.00	1.00
Ser Ser Trp	1.00	7326.25
Ser Thr	1.00	5612.75
Ser Thr Gly	1.00	1.00
Ser Thr Ile	1.00	1.00
Ser Val Val	1.00	1.00
Ser Val Val +4.067	1.00	1.00
Sesamose	1.00	1.00
Sesartemin	1.00	1.00
Sethoxydim	1.00	1.00
Shihunine	1.00	1.00
Shihunine -4.58	1.00	1.00
Siduron	1.00	1.00
Silafluofen	1.00	1.00
Silafluofen -11.528934	1.00	1.00
Silandrin	1.00	1.00
Silandrin -6.393	1.00	1.00
Simeconazole	1.00	1.00
Simplexin	1.00	1.00
Simvastatin-6^-carboxylic acid	1.00	1.00
Simvastatin-6^-carboxylic acid -5.561	1.00	1.00
Simvastatin-6^-carboxylic acid +7.209	5994.33	1.00
Sisomicin	1.00	1.00
(S)-Lisofylline	15236.67	1.00
(S)-Lisofylline +1.279	6700.00	1.00
(S)-Lisofylline +1.619	8565.67	1.00
(S)-Lisofylline +3.5	13749.33	1.00
SM(d16:0/22:0)	9131.00	2824.75
SM(d18:2/21:0)	1.00	2362.00
S-Methyl-1-thio-D-glycerate	25702.67	32769.00
S-methylcaptopril	1.00	55466.25
S-Methyl-L-Thiocitrulline	1.00	1.00
S-Methyl-L-Thiocitrulline +3.409	11769.67	1.00
S-Methyl-L-Thiocitrulline +3.413	1.00	1.00
S-Methyl-L-Thiocitrulline +3.808	7225.33	1.00
(S)-Mevalonic acid	3580.33	11288.75
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxo...	1.00	1.00
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxo...	1.00	8883.75
sn-3-O-(geranylgeranyl)glycerol 1-phosphate	1.00	1.00
sn-3-O-(geranylgeranyl)glycerol 1-phosphate -8.199	1.00	1.00
Sobetirome	1.00	1767.75
Sobetirome +3.536	1.00	1.00
Sobetirome -5.588	1.00	1.00
Solamargine	9062.67	1.00
Solanidine	285665.00	29288.25
Solanidine +8.424	9668.00	1.00
Solanidine +8.839	4224.33	1.00
Solanine	79989.00	103864.00
Solanocapsine	1.00	1.00
Songorine	1.00	1.00
Sophoracoumestan A	1.00	1.00
Sophoracoumestan B	61675.00	34359.00
Sophoranol	2551.33	6639.50
Sophoranone	21232.00	6106.25
Soraphen A	1.00	1.00
Soraphen A +6.321	1.00	1.00
Soraphen A +7.821	1.00	1.00
Soraphen O	1.00	1.00
Soraphen O -10.32	1.00	1.00
Soraphen O +12.456	1.00	1.00
Soraphen O +7.379	1.00	20355.00
Sotalol	1.00	22419.00
Soyasaponin I	1.00	1.00
Soyasaponin III	1.00	1.00
Sparfloxacin	5440.33	13953.50
Sparfloxacin +3.73	5674.67	1.00
Spectinomycin	4998.33	12433.25
Spectinomycin +1.0125	16245.00	4167.25
Spectinomycin -9.6622	1.00	1.00
Spenolimycin	5728.33	1.00
Spenolimycin +1.3979999	1.00	4622.75
Spermidine	54927.33	10699.25
Spermidine +0.865	1.00	1.00
Spermidine +1.0525	9275.00	1.00
Sphaerodiene	1.00	1.00
Sphaerodiene +5.777	1.00	1.00
S-(Phenylacetothiohydroximoyl)-L-cysteine	1.00	4807.50
Sphingofungin A	1.00	1.00
Sphingofungin A +6.2262993	115823.33	155220.75
Sphingofungin A +6.2893333	1.00	352402.00
Sphingofungin A -9.705999	1.00	1.00
Sphingofungin E	1.00	3550.50
Sphingosine-1-phosphate	1.00	1.00
Spicatin	1.00	1.00
Spicatin -7.862	1.00	1.00
Spinoside A	1.00	1.00
Spinosyn K	1.00	1.00
(S)-Piperazine-2-carboxylic acid	1.00	1.00
Spiperone	3169.33	1.00
Spiromesifen	3691.33	3664.50
Spirotetramat	1.00	5526.75
(-)-Spongiane-15,16-diol	1.00	1.00
Spongipregnoloside A	1.00	6559.75
Spongipregnoloside A +6.576	1.00	10241.75
(-)-Spruceanol	1.00	1.00
S,S,S,-Tributylphosphorotrithioate	1.00	1.00
S-Sulfanylglutathione	1.00	1.00
Stearamide	1.00	2294.75
Stearidonoyl glycine	1.00	1.00
Steryl sulfate	1.00	1.00
Steryl sulfate +1.622	1.00	1.00
Stigmatellin A	1.00	1.00
Stizolobinate	1.00	1.00
Stoloniferone A	1.00	1.00
Stoloniferone G	16519.67	14814.00
Stovaine	1.00	1.00
Streptobiosamine	1.00	1.00
Streptobiosamine +1.006	8855.33	1.00
Streptomycin 3^^-phosphate	2628.00	1.00
Strictosidine aglycone	9299.67	9429.50
Strictosidine aglycone +4.14	9709.33	1.00
Strigolactone ABC-rings	32268.00	30515.50
Strigolactone ABC-rings +10.077	1.00	4046.75
Strigolactone ABC-rings +10.136	2888.00	1.00
Strophanthidinic Acid Lactone Acetate	1.00	1.00
Stypoltrione	1.00	71992.75
Stypoltrione +9.079	1.00	1.00
Styrene	187916.00	7525.00
Styrene +2.6575	1.00	1.00
SU 5416	1.00	7792.75
Succinic acid	1.00	1.00
Succinic acid -1.831	1.00	1.00
Succinic anhydride	1.00	1.00
Succinic anhydride -1.889	1.00	1.00
Succinylmonocholine	3582.00	1.00
Succinylmonocholine +1.393	1.00	1.00
Sucralose	26633.33	200055.00
Sucralose -5.0278335	1.00	1.00
Sudan Brown RR	1.00	1.00
Sudan Brown RR +5.773	1.00	4542.50
Sudan I	1.00	1998.25
Sudan III	1.00	1.00
Sulfaphenazole	85376.33	83692.00
Sulfoglycolithocholate	1.00	1.00
Sulfoglycolithocholate -5.846	1.00	1.00
Sulfoglycolithocholate -6.028	1.00	1.00
Sulfoglycolithocholate -6.651	1.00	1.00
Sulfuric acid	77843.67	1.00
Sulochrin	1.00	1.00
Suloctidil	1.00	1.00
Sulpiride	1.00	1.00
Sunitinib	1.00	1.00
Sunitinib +5.4455004	1.00	6761.00
Sunitinib -7.134	1.00	1.00
Supinidine	1.00	11260.25
Supinidine +6.2060003	1.00	1.00
Suprofen	1.00	1.00
Suprofen -0.952	1.00	1.00
Suprofen Methyl Ester	1.00	2492.25
(S)-Ureidoglycolic acid	1.00	9687.75
Surinamensin	1.00	1.00
Surinamensin -5.953	1.00	1.00
Suxibuzone	1.00	1.00
Swertianolin	1.00	1.00
Symphytine	265374.33	310299.50
Symphytine +5.696143	14460.67	48069.50
Symphytine +5.9939995	18629.67	30873.00
(+)-Syringaresinol	1.00	1.00
Syringolin A	38592.00	7740.00
Syzygiol	1.00	1.00
Tabernamine	11230.00	5997.50
Tacrolimus	11932.00	13451.25
Tacrolimus +11.775501	63010.67	68894.75
Tacrolimus +11.839001	1.00	2818.00
Tacrolimus +6.4828334	20513.00	17885.75
Tacrolimus +6.569333	68513.67	33215.00
Tacrolimus metabolite M-IV	1.00	1.00
Tacrolimus metabolite M-VI	1.00	1.00
Tafluprost	1.00	8525.75
Tagitinin F	1.00	1.00
Tamoxifen	3252.33	20023.50
Tamoxifen +5.448	1.00	1.00
Tamoxifen +6.256	1.00	15010.00
Taurine	62752.00	1.00
Taurine -0.914	1.00	1.00
Taurine +0.92499995	128805.33	1.00
Taurochenodeoxycholic acid 3-sulfate	1.00	1.00
Taurocholic acid 3-sulfate	1.00	1.00
Taurodeoxycholic acid	1.00	1.00
Taurodeoxycholic acid -7.3805	1.00	1.00
Tauroursocholic acid	1.00	1.00
Tauroursocholic acid +4.9136662	1.00	12675.25
Tauroursocholic acid +5.250375	4467.33	39208.50
Tauroursocholic acid -5.283	1.00	1.00
Tauroursocholic acid -5.394	1.00	1.00
Tauroursocholic acid -5.6649995	1.00	1.00
Tauroursocholic acid -6.16	1.00	1.00
Tauroursocholic acid -6.2795	1.00	1.00
Tauroursocholic acid -6.4356666	1.00	1.00
Tauroursocholic acid -7.102	1.00	1.00
Tauroursocholic acid -7.172	1.00	1.00
Tauroursocholic acid +7.184	1.00	1.00
Tauroursocholic acid -7.761	1.00	1.00
Tauroursodeoxycholic acid	1.00	1.00
Tauroursodeoxycholic acid -7.2923336	1.00	1.00
Tauroursodeoxycholic acid -8.077	1.00	1.00
Tauroursodeoxycholic acid -9.234	1.00	1.00
Taxine A	1.00	1.00
Tazarotene	1.00	1.00
Tazarotene -5.234	1.00	1.00
Tebuconazole	1.00	9025.00
Tebuconazole +5.7496667	1.00	3492.25
Tebutam	1.00	1.00
Tebuthiuron	1.00	2303.25
Tebuthiuron +4.457	1684.33	1.00
Tecostanine	1.00	1.00
Teleocidin B-1	9105.67	5768.75
Teleocidin B-1 -14.101	1.00	1.00
Temoporfin	3752.00	1.00
Teniposide	1.00	1.00
Tenovin-1	7014.67	1.00
Tenovin-6	20138.00	377453.25
Tenovin-6 +5.075	1.00	9323.25
Tenuazonic acid	1.00	1.00
Tenuazonic acid +1.6275	1.00	1.00
Tephcalostan	1.00	1.00
Tephcalostan B	1.00	1.00
Tephroleocarpin B	1.00	1.00
(+)-Tephropurpurin	5569.67	1.00
Tephrowatsin A	1.00	1.00
Tephrowatsin A +1.397	1.00	2417.25
Tephrowatsin A +4.827	1.00	1.00
Tephrowatsin B	1.00	1.00
Tephrowatsin B +5.928	1.00	3160.75
TEPP	1.00	1.00
Terbacil	1.00	3731.00
Terbacil -1.097	1.00	1.00
Terbacil +1.39	1.00	2821.50
Terbacil -1.6133333	1.00	1.00
Terbacil -3.419	1.00	1.00
Terbacil +3.58725	1.00	1.00
Terbinafine metabolite	1.00	1.00
Terbucarb	1.00	6925000.75
Terbutaline-1-glucuronide	1.00	1.00
Terbutaline-1-glucuronide +1.633	1.00	1.00
Terpenoid EA-I	1.00	1.00
Terpenoid EA-I -8.863833	1.00	1.00
tert-butyl p-Toluate	1.00	1.00
Testosterone phenylpropionate	82742.33	1.00
Testosterone phenylpropionate +7.142	8198.67	1.00
Testosterone sulfate	1.00	1.00
Tetrabromobisphenol A	1.00	1.00
Tetrabromobisphenol A -0.8805	1.00	1.00
Tetrac	1.00	1.00
tetradeca-13-en-2,4-diyn-1-ol	1.00	1.00
Tetradecanoic acid, 11-hydroxy-, (S)-; Convolvulinolic acid	1.00	1.00
Tetradecylamine	152391.67	151676.00
Tetradecylamine +10.24	1.00	1.00
Tetradecylamine +9.153	1.00	1.00
Tetradecyl sulfate	1.00	1.00
Tetradecyl sulfate +10.095	1.00	1.00
Tetradecyl sulfate -11.0895	1.00	1.00
Tetradecyl sulfate +9.541	1.00	3440.00
Tetradifon	1.00	10447.25
Tetrahomomethionine	1.00	1.00
Tetrahomomethionine +0.984	9656.67	1.00
Tetrahydrocortisone-3,21-diacetate	1.00	1.00
Tetrahydrogeranylgeranyl diphosphate	1.00	1.00
Tetrahydroneopterin	1.00	1.00
Tetrahydropteridine	1.00	1.00
Tetrahydropteridine +1.115	1.00	1.00
Tetranitromethane	1.00	1.00
Tetranor Iloprost	1.00	1.00
Tetranor Iloprost +1.073	1.00	1.00
Tetranor-PGE1	1.00	1.00
Tetranor-PGF1alpha	1.00	49128.50
Tetranor-PGF1alpha +3.062	1.00	1.00
Tetranor-PGF1alpha +8.2685	1.00	19790.75
Tetranor-PGF1alpha +8.338	1.00	2132.00
Tetrasul	1.00	1.00
Tfa-VAL-TYR-VAL-OH	1.00	1.00
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6]	1.00	7635.75
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6] +13.45	1.00	1.00
TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6] +14.11	1.00	1423.25
TG(16:1(9Z)/17:0/17:1(9Z))[iso6]	1.00	1.00
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]	3695.00	1.00
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] +13.733999	3235.33	1.00
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] +14.105	1.00	1.00
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] +14.105 :1	5021.33	1.00
TG(17:0/17:1(10Z)/17:0) (d5)	1.00	1.00
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	1.00	1.00
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3] -13....	1.00	1.00
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	1.00	1.00
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] +13.736	1.00	1.00
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] +14.107	1.00	1.00
TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3]	1.00	1.00
TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3] -13.7...	1.00	1.00
TG(8:0/8:0/8:0)	1703.33	1.00
TGX-221	1.00	1.00
THA	1.00	1.00
THA +10.415	1.00	1.00
THA +10.422501	16273.67	1.00
THA +10.604668	56006.33	20778.50
THA +7.877	1.00	9103.00
THA +8.268	5023.33	1.00
THA +8.351199	59546.00	105913.75
THA +9.251	1.00	1.00
THA +9.34	1.00	1.00
THA +9.6845455	47432.00	41762.25
THA +9.723	42262.67	1.00
THA +9.728	21703.33	4061.75
Thalicsessine	1.00	1.00
Thalicsessine -10.797	1.00	1.00
Thalicsessine -11.1851425	1.00	1.00
Thalmine	1.00	2266.25
Thalsimine	1.00	1.00
Thalsimine +6.9429994	6884.00	11890.50
Thalsimine -9.013	1.00	1.00
Thalsimine -9.071	1.00	1.00
Theaflavanin	1.00	1.00
Theaflavanin -5.2785	1.00	1.00
Theaflavin-3-gallate	12596.33	56074.25
Theophylline	1.00	1.00
Theophylline +1.003	1.00	1.00
Theophylline +3.114	1.00	3068.50
Thiacetazone	17580.00	1644.25
Thiacetazone -0.868	1.00	1.00
Thiacetazone +0.876	1.00	6300.25
Thiacetazone +3.3666668	1.00	3103.50
Thiamethoxam	1.00	1.00
Thiamine	1.00	1.00
Thiamine disulfide	1.00	1.00
Thiamine disulfide -1.614	1.00	1.00
Thiamylal	1.00	7863.00
Thiarubrine B	1.00	1.00
Thifluzamide	1.00	3479.50
Thimerosal	1.00	1.00
Thiobenzamide	1.00	1.00
Thiobenzamide S,S-dioxide	1.00	1.00
Thiobenzamide S,S-dioxide -1.7027142	1.00	1.00
Thiocarlide	1.00	1.00
Thiodiacetic acid	1.00	1.00
Thiodiacetic acid -0.99825	1.00	1.00
Thiodiacetic acid -1.3465713	1.00	1.00
Thiodiacetic acid sulfoxide	1.00	1.00
Thiodiacetic acid sulfoxide -1.011	1.00	1.00
Thiodiacetic acid sulfoxide -1.037	1.00	1.00
Thiophanate	1.00	1529.00
Thioquinox	1.00	1.00
Thiothixene	23657.33	1.00
Thr Ala Arg	1.00	1.00
Thr Ala Lys	6974.67	1.00
Thr Ala Thr	31341.33	13192.75
Thr Ala Thr +3.892	1.00	1.00
Thr Asn Asn	1.00	1.00
Thr Asp Ile	1.00	1.00
Thr Asp Pro	1.00	1.00
Thr Cys Leu	1.00	1.00
Threonic acid	1.00	1.00
Threonic acid +1.451	1.00	1.00
Thr Gln Ala	1.00	1.00
Thr Gln Val	1.00	1.00
Thr Gly Ser	1.00	16067.25
Thr Ile Val	1.00	1.00
Thr Leu	103769.67	9602.75
Thr Leu +0.946	1.00	13650.50
Thr Leu +1.3696666	8220.00	1.00
Thr Leu -2.252	1.00	1.00
Thr Leu +3.004	1.00	1.00
Thr Leu -3.6439998	1.00	1.00
Thr Leu -3.79	1.00	1.00
Thr Leu +3.8046248	59093.00	2150.75
Thr Leu +8.685	1.00	2655.75
Thr Lys	9125.67	1.00
Thr Lys Lys	1.00	1.00
Thr Met	3106.00	1.00
Thromboxanoic acid skeleton	1912.33	2825.50
Thr-Phe4Cl-OH	1.00	1.00
Thr Phe Phe	1.00	1.00
Thr Phe Phe +5.118	1.00	4057.25
Thr Phe Phe +5.163	1.00	7934.50
Thr Phe Phe +5.3	1.00	4716.50
Thr Phe Phe +5.417	1.00	3693.50
Thr Pro Asp	1.00	1.00
Thr Pro Pro	6569.67	1.00
Thr Pro Pro +3.607	1.00	1.00
Thr Ser Thr	1.00	1.00
Thr Thr Gly	1.00	8412.00
Thr Thr Lys	1.00	1.00
Thr Thr Lys +4.384	1.00	1.00
Thr Tyr Ala	1.00	1.00
Thr Tyr Ala +1.397	1.00	1.00
Thr Tyr Phe	1.00	1.00
THTC	220687.67	179462.25
THTC +1.5376999	71191.67	22594.75
Thyrotropin releasing hormone	1.00	1.00
Thyrotropin releasing hormone -10.077534	1.00	1.00
Thysanone	1.00	1.00
Tiapride	1.00	1.00
Tigloidine	13163.67	1.00
Tigloidine +4.801	1.00	7437.00
Tiletamine	1.00	3494.50
Tiocarbazil	1.00	1.00
Tirofiban	1.00	1.00
Tocoretinate	1.00	2873.75
Todralazine	1.00	1.00
Todralazine +1.004	1.00	1.00
Todralazine +1.18	1.00	1.00
Todralazine +1.6253333	9246.67	1.00
Todralazine +1.695	1.00	1.00
Todralazine +3.33	1.00	7160.25
Tolcapone	1.00	1.00
Tolcapone -3.95875	1.00	1.00
Tolnaftate	1.00	1.00
Tolnaftate +5.73	1.00	17439.50
Toluene	1.00	9656.75
Topiramate	22689.67	1.00
Totarol-19-Carboxylic Acid	1.00	1.00
Totarol Acetate	5651.67	2201.00
TPEN	10923.00	1.00
TPEN +7.131	11703.00	1.00
TPEN +7.268	4037.00	1.00
Trachelogenin	1.00	1.00
TRAM-34	1.00	1.00
Trandolapril	28798.00	1.00
Trandolapril +7.629	1.00	1.00
Trandolapril +7.686	1.00	1.00
Trandolaprilat	1.00	1.00
Trandolapril glucuronide	1.00	1.00
Trandolapril lactam (RU 46178)	1.00	1.00
Trandolapril lactam (RU 46178) +5.841	1.00	1.00
Trandolapril lactam (RU 46178) +6.757	5853.00	1.00
Trandolapril lactam (RU 46178) -7.268	1.00	1.00
Trandolapril lactam (RU 46178) +7.277	99875.67	1.00
Trandolapril lactam (RU 46178) +8.0685005	1.00	1.00
trans-1,2-Diphenylcyclobutane	29575.33	38667.00
trans-1,2-Diphenylcyclobutane +0.955	1.00	6638.50
trans-1,2-Diphenylcyclobutane +4.839	1.00	8860.25
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane	1.00	1.00
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane -3.613	1.00	1.00
Trans-2, 3, 4-Trimethoxycinnamate	1.00	1.00
Trans-2, 3, 4-Trimethoxycinnamate -5.35	1.00	1.00
Trans-2, 3, 4-Trimethoxycinnamate +5.858	1.00	1.00
trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)...	1.00	1.00
trans-2-Enoyl-OPC4-CoA	1.00	1.00
trans-2-Enoyl-OPC6-CoA	1.00	1.00
trans-2-Phenylcyclopropanecarboxylic acid	4410.33	16651.00
trans-2-Phenylcyclopropanecarboxylic acid +11.666374	79685.00	79540.25
trans-2-Phenylcyclopropanecarboxylic acid +11.726624	73344.67	68776.00
trans-3-Aminocyclopentane-1-carboxylic acid	146666.00	100260.25
trans-3-Aminocyclopentane-1-carboxylic acid +0.92484623	42499.33	31587.25
trans-3-Aminocyclopentane-1-carboxylic acid +1.014	1.00	1.00
trans-3-Aminocyclopentane-1-carboxylic acid +1.021	1.00	1.00
trans-3-Aminocyclopentane-1-carboxylic acid +1.085125	488613.33	4273068.75
trans-3-Aminocyclopentane-1-carboxylic acid +1.299	5936.00	18077.25
trans-3-Aminocyclopentane-1-carboxylic acid +1.3614998	406331.33	582240.75
trans-4,5-Dihydroxy-4,5-dihydropyrene	1.00	1.00
trans-4-Carboxymethylenebut-2-en-4-olide	1.00	1.00
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthrace...	1.00	1.00
(+)-trans-allethrin	1.00	1.00
(+)-trans-allethrin +4.78825	1.00	1.00
trans,cis-Lauro-2,6-dienoyl-CoA	1.00	1.00
trans,trans-1,4-Diphenyl-1,3-butadiene	29276.00	17563.75
trans,trans-Farnesyl phosphate	6807.33	17768.50
Tranylcypromine glucuronide	1.00	1.00
Tranylcypromine glucuronide +4.397	1.00	9196.50
?,?-Trehalose	108428.67	13071.50
?,?-Trehalose +0.997	18412.33	5036.25
?,?-Trehalose -1.0086666	1.00	1.00
?,?-Trehalose -1.065	1.00	1.00
Tremetone	1.00	4926.00
Tremetone +0.913	13532.00	1.00
Triacanthine	1.00	1.00
Triacanthine +1.349	1.00	1.00
Triacanthine +3.786	1.00	1.00
Triacetin	1.00	5120.50
Triacetin +0.935	1.00	1897.25
Triacetin +0.93899995	1.00	3700.25
Triacetin +1.02	10385.33	8359.00
Triacetin -1.3842	1.00	1.00
Triacetin -1.614	1.00	1.00
Triacetin +3.185	1.00	1.00
Triacetin +3.396	1747.33	2616.00
Triacetin +3.8213997	7650.33	3044.25
Triacetin +3.9038575	1.00	8098.25
Triamcinolone Diacetate	1.00	1.00
Triamcinolone Diacetate -9.232333	1.00	1.00
Triamiphos	1.00	1.00
Triangularine	1.00	1.00
Triangularine +5.65	1.00	3988.75
Triazamate	1.00	3986.25
Triazamate +1.354	1.00	76369.00
Triazamate +1.547	1.00	5455.50
Triazamate +3.386	1.00	5041.75
Triazamate +3.939	1.00	93516.00
Tributyl phosphate	197082.33	169200.00
Tributyl phosphate +11.419937	205150.67	230919.50
Tributyrin	1.00	19598.00
Tributyrin +5.3684998	1.00	2653.25
Tributyrin -5.5916667	1.00	1.00
Tricaine	2356.33	7688.00
Tricaine +3.428	1.00	59695.25
Trichlormethine	1.00	1.00
Trichostatin A	42379.33	8015.00
Trichostatin A +5.853	1.00	1.00
Trichostatin A -8.176	1.00	1.00
Trichostatin A -8.257	1.00	1.00
Trichostatin A +8.271832	60085.67	11413.50
Trichostatin A +8.564501	41145.33	24954.25
Trichostatin A +8.6	10565.67	12062.00
Trichostatin A +9.185333	1.00	4855.00
Trichostatin A +9.2456665	6184.33	20048.25
Trichothecin	4125.67	1.00
Triclosan	1.00	1.00
Tricrocin	1.00	6652.50
Tricrocin +6.896	1.00	6714.25
Tricyclodehydroisohumulone	1.00	3615.50
Tricyclodehydroisohumulone -8.189	1.00	1.00
Tridesacetoxykhivorin	1.00	1.00
Tridesacetoxykhivorin -6.868	1.00	1.00
Tridesacetoxykhivorin +8.114	1.00	1.00
Trietazine	44945.67	19416.75
Trietazine +1.381	8920.67	1.00
Triethylene glycol diglycidyl ether	15754.00	12267.75
Triethylene glycol diglycidyl ether +5.8995	1.00	1.00
Trigonelline	79991.67	148387.25
Trihomomethionine	1.00	1.00
Trihomomethionine +0.981	57550.33	46538.25
Trillenogenin	1.00	1.00
Trillenogenin +6.423	1.00	1.00
Trillenogenin +7.356	1.00	1.00
Trillenogenin -7.368	1.00	1.00
Trimedlure	1.00	1.00
Trimedlure +3.988	1.00	1.00
Trimeprazine	1.00	1.00
Trimeprazine sulfoxide	29332.33	65046.25
Trimeprazine sulfoxide +1.62375	1.00	10268.00
Trimethobenzamide	1.00	5305.75
Trimethobenzamide -3.301	1.00	1.00
Trimethylaminoacetone	1.00	4517.25
Trimethylenetetraurea	27166.00	14400.50
Trimethylenetetraurea -5.631	1.00	1.00
Trimetrexate	1.00	1587.00
Trinexapac-ethyl	1.00	1.00
Trinexapac-ethyl +3.804	1.00	1.00
Triphenyl phosphate	35382.33	32414.75
Triphenylphosphine oxide	160750.33	169687.75
Triphyllin A	1.00	1.00
Triphyllin A -3.473	1.00	1.00
Triphyllin A -3.523	1.00	1.00
Triprolidine	1.00	16618.50
Tris(1-aziridinyl)phosphine oxide	1.00	1.00
Tris(2-methyl-1-aziridinyl)phosphine oxide	1.00	10143.50
Tris(2-methyl-1-aziridinyl)phosphine oxide +1.6273333	1.00	1.00
Tris(2-methyl-1-aziridinyl)phosphine oxide +2.994	1.00	1.00
Tris(2-methyl-1-aziridinyl)phosphine oxide +3.2	1.00	13744.00
Tris(2-methyl-1-aziridinyl)phosphine oxide +3.638	1.00	1.00
Tris(2-methyl-1-aziridinyl)phosphine oxide +4.5080004	1.00	1.00
Tris(butoxyethyl)phosphate	1.00	1.00
Tris(butoxyethyl)phosphate -10.605223	1.00	1.00
Tris(butoxyethyl)phosphate -9.372	1.00	1.00
Triterpenoid	1.00	1.00
Triterpenoid -7.201	1.00	1.00
Tromethamine	1.00	2654.25
Tromethamine +0.92	1.00	1.00
Tropicamide	1.00	1.00
Tropine	1.00	1.00
Tropine +3.078	1.00	2602.00
Tropinone	1.00	22149.00
Tropolone	1.00	1.00
Tropolone -4.361	1.00	1.00
Trp Arg Asn	1.00	1.00
Trp Gln	1703.33	1.00
Trp Gln Ala	1.00	1.00
Trp Gln Gly	5575.67	1.00
Trp Glu	1.00	1.00
Trp Gly Ser	1.00	1.00
Trp His	18836.67	15157.25
Trp His +1.6265	1.00	1.00
Trp His His	1.00	1.00
Trp-His-OH	1.00	4885.25
Trp-HoPhe-OH	1.00	1.00
Trp Lys Arg	1.00	1.00
Trp Met Cys	1.00	1.00
Trp Met Trp	1.00	1.00
Trp Met Trp -3.4133332	1.00	1.00
Trp-P-1	5651.67	1.00
Trp-P-1 +3.835	1.00	7303.00
Trp Pro Lys	1.00	1.00
Trp Ser Ser	1.00	1.00
Trp Thr	1.00	1.00
Trp Tyr Met	1.00	1.00
Trp Tyr Phe	1.00	1.00
Trp Tyr Trp	1.00	1.00
Trp Tyr Trp +6.893	1.00	1.00
Trp Val Val	1.00	1.00
Tsukushinamine A	1.00	14283.50
Tuduranine	1.00	1817.50
Tuliposide A	13660.67	31122.75
Tuliposide A +1.148	1.00	23882.00
Tuliposide A +1.2036667	1.00	3397.25
Tuliposide A -1.279	1.00	1.00
Tuliposide A +1.3357499	4679.33	10547.75
Tuliposide A +1.396	1.00	71897.00
Tuliposide A +1.6359999	1.00	1.00
Tuliposide B	1.00	1.00
Tuliposide B -1.068	1.00	1.00
Tuliposide B +1.0913333	1.00	11967.75
Tuliposide B +1.1278332	9119.33	14029.75
Tuliposide B +1.297	1.00	6927.50
Tuliposide B -1.379	1.00	1.00
Tulobuterol	1.00	2246.00
Tulobuterol +3.2038002	17949.00	6529.00
Tulobuterol +5.888	1.00	1.00
Tumonoic Acid D	1.00	1.00
Tussilagine	1.00	1.00
Tussilagine +1.4	1.00	1.00
Tussilagine +3.048	1.00	1.00
Tussilagine +3.115	1.00	1.00
Tussilagine +3.4096668	1.00	1.00
Tussilagine +5.194	1.00	1.00
Tutin	1.00	1.00
Tutin +6.025	1.00	1.00
Tutin -6.036	1.00	1.00
Tutin -6.349	1.00	1.00
TWS119	3875.33	1.00
TWS119 +7.664	4261.67	1.00
Tylosin	1.00	1.00
Tyramine-O-sulfate	1.00	1.00
Tyramine-O-sulfate +1.7639999	1.00	35703.50
Tyr Asn Ser	7749.00	1.00
Tyr Asn Ser +1.61	1.00	1.00
Tyr Asn Ser +3.108	7307.33	1.00
Tyr Asn Ser +3.356	1.00	1.00
Tyr Asn Ser +3.4629998	1.00	1.00
Tyr Asn Thr	12419.00	1.00
Tyr Asp Gln	6154.33	1.00
Tyr Glu Asp	1.00	1.00
Tyr Gly	1.00	1.00
Tyr Gly Pro	1.00	1.00
Tyr Gly Pro +4.188	1.00	3327.25
Tyr His Asp	1.00	1.00
Tyr-HoPhe-OH	1.00	1.00
Tyr Leu	34301.67	34373.25
Tyr Leu +1.392	1.00	1.00
Tyr Leu +1.629	1.00	1.00
Tyr Leu +3.265	1.00	76259.50
Tyr Leu +3.891	1.00	1.00
Tyr Leu +4.0914	4033.33	1.00
Tyr Leu +4.385	34599.00	1.00
Tyr Leu +4.5649996	1.00	1.00
Tyr Leu Ala	1.00	1.00
Tyr Leu Val	1.00	1895.75
Tyr Leu Val +3.189	5579.67	1.00
Tyr-Lys-OH	1.00	4498.25
TyrMe-Ile-OH	1.00	1.00
Tyr Met Glu	1.00	30940.25
Tyr Met Glu +1.085	1.00	3301.00
Tyr-Met-OH	1.00	1.00
Tyr Phe	1.00	1709.00
Tyr Phe Gln	1.00	1.00
Tyr Phe Gln -9.887	1.00	1.00
Tyr Pro Glu	1.00	1.00
Tyr Pro Gly	1.00	1.00
Tyr Pro Ile	1.00	1.00
Tyr Thr	1.00	1.00
Tyr Thr +1.633	1.00	1.00
Tyr Thr +3.045	1.00	2230.75
Tyr Thr Lys	7250.33	137481.00
Tyr Thr Thr	1.00	1.00
Tyr Thr Thr +3.703	1.00	3685.25
Tyr Tyr	1.00	1.00
Tyr Tyr Ile	1.00	1.00
Tyr Tyr Ile -6.64	1.00	1.00
Tyr Tyr Lys	19030.67	12430.50
Tyr Tyr Lys +5.639	1.00	1.00
Tyr Tyr Pro	1.00	1.00
Tyr Tyr Pro +4.918	1.00	1.00
Tyr Tyr Pro +5.395	1.00	1.00
Tyr Tyr Pro +6.115	1.00	1.00
Tyr Tyr Trp	1.00	1.00
Tyr Val	7627.67	6611.75
Tyr Val +2.145	1.00	6949.75
Tyr Val +2.263	1.00	4330.75
Tyr Val +3.578	6702.67	1.00
Tyr Val +3.695	1.00	1.00
U-18666A	2410.00	5388.00
U-75302	8657.00	5995.25
Ubiquinone	27732.33	29565.00
Ubiquinone (Q2)	1.00	1.00
UCL 1608	1.00	1.00
UDP-3-ketoglucose	82439.00	1.00
UDP-3-ketoglucose +6.6105	29405.00	1.00
UDP-4-keto-rhamnose	1.00	1.00
UDP-L-Ara4O	414380.33	161340.00
UH-301	1.00	1.00
UK-47265	1.00	1.00
UK-47265 -4.557	1.00	1.00
UK-47265 -4.806	1.00	1.00
Uncarine D	1.00	1.00
undecanal	1.00	1.00
Undecanedioic acid	4142.33	1.00
Undecanedioic acid +3.026	1.00	1.00
Undecanedioic acid -6.945	1.00	1.00
Undecanedioic acid -7.585	1.00	1.00
Undecylprodigiosin	31023.67	19250.00
Undecylprodigiosin +6.7068744	10912.00	2707.50
Uniconazole P	1.00	2082.50
Uplandicine	1.00	1.00
Uplandicine +3.319	6648.67	5536.00
Uplandicine +6.028	1.00	1.00
Uplandicine +6.111	1.00	1.00
URB602	66370.00	510961.25
URB602 +6.918	6918.67	1.00
URB602 +6.969571	121765.67	283351.50
Urdamycin A	1.00	1.00
Uric acid	1.00	1.00
Urothion	2328.67	1.00
Urothion -4.002	1.00	1.00
Ursiniolide A	1.00	3261.00
Ursiniolide A +5.2	1.00	5083.50
Ursodeoxycholic acid 3-sulfate	13309.33	1.00
Ursodeoxycholic acid 3-sulfate +5.1470838	13878.00	27206.75
Ursodeoxycholic acid 3-sulfate +7.873	1.00	17268.75
Ursodeoxycholic acid 3-sulfate +8.216	1.00	1.00
Usaramine	1.00	1.00
Val Ala Ala	1.00	1.00
Val Ala Ile	1.00	11774.00
Val Arg	32312.67	1.00
Val Arg +1.62	4778.67	1.00
Val Arg Pro	1.00	1.00
Val Arg Pro +4.111	1.00	1.00
Val Arg Tyr	1.00	1.00
Val Asn Gly	20787.67	4917.75
Val Asn Gly +1.126	12840.00	1.00
Val Asn Gly +1.1413333	5304.33	1.00
Val Asn Leu	1.00	1.00
Val Asn Leu +3.98	6543.33	1.00
Val Asn Leu +4.71	1.00	1.00
Val Asp Arg	1.00	1.00
Val Asp Gly	1.00	1.00
Val Asp His	1.00	1848.00
Val Asp Trp	9650.33	1.00
Valerianine	1.00	1.00
Valerianine +2.195	1.00	1.00
Valerianine +3.0942497	1.00	11400.50
Valerianine +3.6056669	1.00	1.00
Valeroidine	1.00	1.00
Valeroyl Salicylate	14346.00	6048.25
Val Glu Gln	1.00	1.00
Val Glu Gln +3.561	1.00	1.00
Val Glu Gln +3.657	1.00	1.00
Val Gly Ile	27433.00	1.00
Val Gly Ile +3.672	1.00	1.00
Val Gly Ile +4.1545	6165.33	1.00
Val Gly Tyr	1.00	1.00
Val Gly Tyr +4.089333	1.00	1.00
Val Gly Val	3537.00	1.00
Val His Asp	1.00	1.00
Val His Ser	1.00	3449.25
Val His Thr	12478.33	3245.00
Val Ile His	1.00	1.00
Val Ile Ser	1.00	1.00
Val Ile Ser -3.428	1.00	1.00
Val Ile Ser +3.538	1.00	1.00
Val Ile Val	1837.00	1.00
Valiolone	1.00	1.00
Valiolone -1.007	1.00	1.00
Valiolone -1.048	1.00	1.00
Valiolone -1.091	1.00	1.00
Valiolone -1.22	1.00	1.00
Valiolone -1.385	1.00	1.00
Val Leu	241013.00	48902.75
Val Leu -3.91775	1.00	1.00
Val Leu -4.104714	1.00	1.00
Val Leu +4.1235714	325163.33	83184.50
Val Leu -4.356	1.00	1.00
Val Leu +4.3677998	45265.33	8285.25
Val Leu Asp	1.00	1.00
Val Leu Asp -3.858	1.00	1.00
Val Leu Asp -4.065	1.00	1.00
Val Leu Leu	4832.00	1.00
Val Lys	1.00	1.00
Val Lys +1.0173	160424.00	64044.00
Val Lys -1.0792	1.00	1.00
Val Lys +1.094	2008619.00	287534.25
Val Lys +1.168	1.00	5303.75
Val Lys +1.3466667	25760.67	1.00
Val Lys +1.661	1.00	1717.50
Val Lys Ile	1.00	1.00
Val Lys Ile +3.216	1.00	1.00
Val Lys Ile +3.264	1.00	1.00
Val Lys Ile +3.948	6039.33	1.00
Val Lys Lys	1.00	1.00
Val Lys Ser	1.00	1.00
Val Phe Tyr	1.00	1.00
Valproic acid glucuronide	1.00	1.00
Val Pro Phe	1.00	1.00
Val Pro Pro	1.00	1.00
Val Ser Phe	1693.00	1.00
Val Trp	26502.00	5191.25
Val Trp Asp	6081.33	1.00
Val Tyr	1.00	2479.00
Val Tyr +1.396	1.00	1.00
Val Tyr +3.364	1.00	1.00
Val Tyr +3.897	1.00	11335.25
Val Tyr +3.898	5696.00	1.00
Val Tyr +4.3762503	1.00	1.00
Val Tyr +4.869	3445.00	1.00
Val Tyr His	1.00	1.00
Val Tyr His -6.728	1.00	1.00
Val Val	300405.00	110244.50
Val Val +1.1253333	3689.67	1290.50
Val Val +1.391	1.00	13302.25
Val Val +1.627	1.00	2512.00
Val Val +1.884	13826.67	1.00
Val Val +3.072	67867.33	1.00
Val Val +3.32	1.00	1.00
Val Val -3.397125	1.00	1.00
Val Val +3.619	1.00	1.00
Val Val Lys	13629.00	1.00
Val Val Thr	1.00	1.00
Vasicinone	1.00	28807.00
Vat Yellow 4	1.00	3706.25
Velloquercetin	1.00	1.00
Velloquercetin -1.1242001	1.00	1.00
Velloquercetin -1.224	1.00	1.00
Velloquercetin 3,3^-dimethyl ether	1.00	13478.75
Veracevine	1.00	12513.00
(+)-Veraguensin	1.00	1.00
(+)-Veraguensin +1.618	1.00	1.00
(+)-Veraguensin -6.917	1.00	1.00
(+)-Veraguensin -7.1425	1.00	1.00
(+)-Veraguensin -7.2526665	1.00	1.00
Verapamil	2401184.67	1.00
Vernodalol	1.00	1.00
Vernoflexuoside	1.00	2587.00
Vernolate	1.00	1.00
Verrucarin A	1.00	1.00
(+)-Vestitol	1.00	1.00
(+)-Vestitol +1.3950001	1.00	7544.75
Viloxazine	1.00	16975.25
Viloxazine +1.615	1.00	1.00
Viloxazine +4.195	1.00	1.00
Vinblastine	1.00	3226.25
Vindoline	19013.67	4855.75
?-vinyl acrylic acid	1.00	5486.25
Vismione D	1.00	2376.75
Volkenin	65899.00	21712.00
Volkenin +1.1385	15016.67	1.00
Volkenin +1.397	1.00	2626.75
VPGPR Enterostatin	160866.00	123427.75
VPGPR Enterostatin +6.569	472378.00	245484.75
V-PYRRO/NO	45016.33	1.00
V-PYRRO/NO +0.919	118231.33	1.00
V-PYRRO/NO +1.248	1.00	1.00
V-PYRRO/NO +1.289	15948.33	1.00
V-PYRRO/NO +1.4805	1.00	1.00
V-PYRRO/NO +1.6214999	9212.33	1.00
W123	40303.33	86413.75
W123 +3.614	1.00	1.00
W123 +4.52	1.00	45531.00
W123 +4.797	6136.33	1.00
W123 +5.333	49306.00	1.00
W123 +5.379	61910.33	1.00
W123 -7.5248003	1.00	1.00
W123 -7.532	1.00	1.00
W146	1.00	8891.75
Westiellamide	30098.00	23260.75
Westiellamide +7.419	2306.33	4913.75
Westiellamide +7.8700004	1.00	11765.75
Westiellamide +9.048	1.00	4118.00
WZ811	1.00	1.00
WZ811 -5.52	1.00	1.00
Xanthosine	1.00	1.00
Xanthosine -3.197	1.00	1.00
XCT 790	1.00	1.00
Xeniasterol-b	1.00	1.00
Xestoaminol C	27906.33	19428.00
Xestoaminol C +10.344819	30153.33	31662.50
Xipamide	1.00	1.00
Xylobiose	1.00	1.00
Xylobiose -1.041	1.00	1.00
Yellow AB	1.00	2851.75
Yellow AB +1.263	1.00	1.00
Yellow AB +1.393	1.00	1.00
Yellow OB	1.00	1.00
YM-53601	6428.67	1.00
YM-53601 +0.93525004	20484.00	1497.75
YS121	1.00	1.00
Zalcitabine	6427.33	13507.50
Zalcitabine +0.946	1.00	5356.25
Zalcitabine +1.133	21242.67	5843.25
Zalcitabine +1.695	9031.33	1.00
Zalcitabine +3.067	1.00	1.00
Zalcitabine +3.286	1.00	1.00
Zaprinast	14201.67	35054.00
Zaprinast +0.93700004	9704.67	1.00
Zaprinast +1.297	1.00	14535.00
Zaprinast +1.6283334	1.00	6704.25
Zaprinast +3.58	1.00	4867.75
Zearalanone	67852.67	69579.50
Zearalanone +10.401	3136.67	1.00
Zearalenone	1.00	1.00
zeleplon	1.00	1.00
Zephyramine	1.00	1.00
Zephyramine +5.415	1.00	26437.75
Zephyramine +5.552	1.00	16172.25
Zinniol	1.00	1.00
Zinniol +5.5874	1.00	11911.25
Zinnolide	1.00	1.00
Zinnolide +3.516	1.00	1974.00
ZK118182 isopropyl ester	1.00	2881.50
ZK118182 isopropyl ester +14.14	1.00	2178.75
Zolazepam	1.00	10967.75
Zolpidem Metabolite II	113869.00	1.00
Zolpidem Metabolite II +5.914	17835.67	1.00
Zopiclone	136554.00	138601.50
Zoxazolamine	1.00	1.00
Zuclopenthixol sulfoxide	1.00	1.00
Zuclopenthixol sulfoxide +1.593	1.00	1.00
Zuclopenthixol sulfoxide +1.636	1.00	1.00
Zwittermicin A	1.00	1.00
Zygadenine	1.00	1.00
Zygadenine -9.058001	1.00	1.00

Factors:

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