Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST002094

(Analysis AN003422): Average values per metabolite and experimental factor (Units:raw intensity)

Metabolite structure	F1	F2
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-	1.00	1.00
10-(beta-Dimethylaminopropionyl)phenothiazine	2416.00	2775.50
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane	1.00	1623.25
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -1.2933571	1.00	5261.75
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -1.3615	1.00	1.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -1.5554999	1.00	1.00
10-Desacetyltaxuyunnanin C	1.00	1.00
10-Desacetyltaxuyunnanin C -3.255	1.00	1.00
10-dodecynoic acid	1.00	2338.25
10-HODTA methyl ester	1.00	2316.50
10-Hydroxydihydrosanguinarine	1.00	1.00
10-nitro,9Z,12Z-octadecadienoic acid	1.00	1.00
(10S)-Juvenile hormone III acid diol	1.00	1.00
(10S)-Juvenile hormone III acid diol -1.21525	2308.67	1.00
(10S)-Juvenile hormone III acid diol -1.3820001	1.00	1.00
(10S)-Juvenile hormone III acid diol -1.532	1.00	1.00
11,12-dihydroxy stearic acid	5842.33	15850.00
1,1,2-Triphenylpropane	1839.33	1457.75
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha...	1.00	1621.75
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha...	1.00	1.00
11-acetoxy-3beta,6alpha-dihydroxy-9,11-seco-5alpha-cholest-7...	1.00	4407.25
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-a...	1.00	1487.00
11-beta-hydroxyandrosterone-3-glucuronide	1.00	1.00
11-beta-hydroxyandrosterone-3-glucuronide -2.4794998	14025.33	1.00
11-beta-hydroxyandrosterone-3-glucuronide -2.8804998	2611.00	1.00
11beta-Hydroxyprogesterone	1.00	1403.75
11-Deoxocucurbitacin I	1.00	2046.25
11?-ethynyl-1?,25-dihydroxyvitamin D3 / 11?-ethynyl-1?,25-di...	1.00	1599.75
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	1.00	2118.50
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid -1.3483334	1.00	1.00
11-lauroleic acid	35609.00	26099.00
11-lauroleic acid -1.174	1.00	1.00
11-lauroleic acid -1.35	1.00	1.00
11S-hydroxy-hexadecanoic acid	14613.33	6502.25
1,2,3-Tris(chloromethoxy)propane	1.00	9457.00
1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol	4265.33	2050.50
1?,25-dihydroxy-11?-(2-hydroxyethyl)vitamin D3 / 1?,25-dihyd...	1.00	1.00
1,2-Dihexanoyl-sn-glycerol	1.00	48845.50
1,2-Dihexanoyl-sn-glycerol -1.6905	1.00	3126.50
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate	1.00	1.00
1,2-Dihydroxynaphthalene-6-sulfonate	1.00	1.00
1,2-Epoxy-3,4-butanediol 4-methanesulfonate	27379.33	32916.75
1,2-Epoxy-3,4-butanediol 4-methanesulfonate -1.6905	35621.33	6008.25
1,2?-Epoxydeacetoxydihydrogedunin	1.00	1.00
12-Hydroxybenzo[a]pyrene	1.00	1.00
12-Hydroxydihydrochelirubine	1.00	1.00
12-Hydroxyergometrine	1.00	1.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	2880.00	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 -1.0...	1.00	7737.00
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -1.2...	1.00	3075.25
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -3.0...	9299.00	1.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid	1.00	1.00
13,14-dihydro-15-keto Prostaglandin J2	1.00	2044.50
13,14-dihydro-15-keto-tetranor PGF1?	1.00	1.00
1,3,5-Trimethoxybenzene	1.00	6097.25
1,3,5-Trimethoxybenzene -1.856	1.00	35307.50
1,3,5-Trimethoxybenzene -2.024	1.00	1.00
1,3,7-Trimethyluric acid	1.00	1.00
1,3-Benzenedisulfonamide	2005.33	1296.75
1,3-Dideacetylkhivorin	1.00	1.00
1,3-Dideacetylkhivorin -2.5254998	1.00	1.00
1,3-Dideacetylkhivorin -3.255	1.00	1.00
1,3-Dimethyluric acid	58710.33	81334.50
1,3-Dimethyluric acid -2.1017199	31582.33	71156.00
1,3-Diphenyltetramethyldisiloxane	1.00	1.00
1,3-Diphenyltetramethyldisiloxane -2.121	1.00	1.00
1(3)-glyceryl-PGH2	1.00	1.00
1(3)-glyceryl-PGH2 -3.342	1.00	1.00
13-Hydroxypergolide glucuronide	1.00	1.00
13-Hydroxypergolide glucuronide -1.5965	5962.33	1.00
13(S)-HODE	8403.00	2138.50
13Z-octadecenoic acid	3859.67	1928.50
1,4-Dioxane	1.00	22937.75
14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid	1.00	6661.25
1-(4^-Hydroxyphenyl)ethanol	14221.00	20740.00
14-methyl-20,14-retro-retinoic acid	5402.67	1.00
15-HETE-G	1.00	2135.00
15-HETE-G -1.35	1.00	2838.75
15-HETE-G -1.408	1.00	1645.25
15-Oxo-5?-cholan-24-oic Acid	1.00	8175.00
15(R)-17-phenyl trinor PGF2? isopropyl ester	1.00	1.00
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phe...	1.00	1.00
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid	1.00	1899.00
16-Feruloyloxypalmitate	1.00	1.00
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-pro...	1.00	1.00
17-Epiestriol	7347.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	95275.00	67326.25
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...	111829.67	104741.75
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid...	92242.67	228188.75
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 -1.257	3077.33	1.00
17-hydroxyandrostane-3-glucuronide -1.4745	8259.67	1.00
17-hydroxyandrostane-3-glucuronide -2.0085	12880.00	1.00
17-hydroxyandrostane-3-glucuronide -2.176	1.00	1.00
17-hydroxyandrostane-3-glucuronide -2.2665	3583.33	1.00
17-hydroxyandrostane-3-glucuronide -2.3730001	6742.00	1.00
17-hydroxyandrostane-3-glucuronide -2.4485002	55461.67	1.00
17-phenoxy trinor PGF2? ethyl amide	9947.00	3659.50
17-phenoxy trinor PGF2? ethyl amide -1.3197501	4325.33	1.00
17-trifluoromethylphenyl trinor PGF2? methyl ester	1.00	1.00
18-hydroxy-9R,10S-epoxy-stearic acid	14741.33	12221.75
18-Oxocortisol	1.00	1268.50
18-oxo-Resolvin E1	1.00	1.00
18-oxo-Resolvin E1 -1.349	1.00	1.00
19-hydroxy-17-oxoandrost-5-en-3-?-yl sulfate	3070.33	1.00
19-hydroxy-Resolvin E1	14791.33	6829.25
19-hydroxy-Resolvin E1 -1.456125	1.00	11279.50
1^-Acetoxyeugenol acetate	1.00	5201.25
1^-Acetoxyeugenol acetate -1.572	1.00	1.00
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glu...	1.00	1.00
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glu...	1.00	1924.50
1-Caffeoyl-beta-D-glucose	1.00	1.00
1-Caffeoyl-beta-D-glucose -1.0235	1.00	1.00
1-Caffeoyl-beta-D-glucose -1.53	1.00	1.00
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phospha...	1.00	1.00
1H-Imidazole-4-methanol	3455.33	1.00
1-Hydroxyhexane-1,2,6-tricarboxylate	1.00	1.00
1-Hydroxyhexane-1,2,6-tricarboxylate -6.052	1.00	1.00
1-Methylguanine	4189.33	6546.50
1-Methyluric acid	1.00	1.00
1-Naphthalenesulfonic acid	4034.00	1.00
1-Naphthalenesulfonic acid -2.0916667	9834.33	4119.50
1-Nitro-5,6-dihydroxy-dihydronaphthalene	12081.33	3780.25
1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene	1.00	2686.25
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-I...	3175.33	1.00
1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1-6)-beta-D-glucopyran...	1.00	2422.00
1-Propanamine, N,N-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11...	1691.33	1.00
(1R,4R)-Dihydrocarvone	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 -1.379	1.00	1.00
(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarb...	1.00	1.00
(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalen...	4382.33	1.00
20-hydroxy-PGE2	1.00	35733.25
20-hydroxy-PGE2 -2.22825	1.00	1879.25
20-hydroxy-PGE2 -2.5904999	1.00	1.00
21-Hydroxydydrogesterone glucoronide	1.00	1.00
22,24,25-trihydroxyvitamin D3 / 22,24,25-trihydroxycholecalc...	1.00	1.00
22,24,25-trihydroxyvitamin D3 / 22,24,25-trihydroxycholecalc...	1.00	2119.25
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-o...	1.00	1.00
2,2-Dimethyl Succinic acid	1.00	3630.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid	10083.33	9337.75
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1.45875	8852.33	1.00
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1.6732858	91170.33	12748.75
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1.6935	1.00	279833.50
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -1.8586798	94240.00	56298.25
(22R)-3?,7?,22-Trihydroxy-5?-cholan-24-oic Acid -2.0126	1.00	3521.00
2,3^,4,4^,5^-Pentachlorobiphenyl	1.00	1.00
2,3,4^-Trihydroxy-4-Methoxybenzophenone	1.00	1.00
2^,3^,5^-triacetyl-5-Azacytidine	1.00	1.00
2^,3^,5^-triacetyl-5-Azacytidine -2.6095	1.00	1.00
2^,3^,5^-triacetyl-5-Azacytidine -3.229	1.00	1.00
2^,3^,5^-triacetyl-5-Azacytidine -3.4276667	1.00	4447.00
2^,3^,5^-triacetyl-5-Azacytidine -3.618333	2654.33	1297.00
2,3,6-Trichlorobiphenyl	1.00	1.00
2?,3?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid	1.00	1.00
2?,3?,7?,12?-Tetrahydroxy-5?-cholan-24-oic Acid -1.29	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-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid	1.00	1.00
2,3-Dihydroxy-6,7-Dichloroquinoxaline	1.00	2640.00
2,3-Dihydroxy-6,7-Dichloroquinoxaline -13.421	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 -1.3356667	1.00	1.00
2,3-Dinor-6-keto-prostaglandin F1 a	4965.00	1.00
2,3-dinor Thromboxane B1	1.00	91225.50
2,3-dinor Thromboxane B1 -1.235	1.00	10081.25
2,3-dinor Thromboxane B1 -1.4879999	1.00	1.00
2,3-Dinor-TXB2	1.00	2230.50
2,3-Dinor-TXB2 -1.5350001	1.00	2089.50
23-nor-22-oxo-chol-5-en-3beta-ol	2102.33	1.00
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)	1.00	1.00
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26...	1.00	5143.50
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?...	1.00	3054.50
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?...	1.00	1.00
24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3	1.00	1.00
24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydr...	1.00	1.00
2,4,2^,4^-Tetrahydroxychalcone	1.00	6979.75
2-(4-amino-5-chloro-2-methoxybenzamido)acetic acid	1.00	2188.00
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	1.00	1.00
2,4-Diamino-6,7-dimethoxyquinazoline	1.00	1.00
2,4-Diamino-6-hydroxylaminotoluene	1.00	3615.00
2,4-Dichloro-3-oxoadipate	22329.00	1.00
2,4-Dichloro-3-oxoadipate -7.2812004	1.00	1.00
2^,4^-Dihydroxy-3^,6^^,6^^-trimethylpyrano[2^^,3^^:6^,5^]cha...	1919.33	1895.25
2^,4^-Dihydroxy-6^-methoxy-3^,5^-dimethylchalcone	1.00	7618.00
2,4-Dinitrophenylhydrazine	1.00	1.00
2,4-DP	3711.00	23061.75
2,4-DP -2.835	1.00	1.00
2,4-DP -2.916167	13455.67	26940.75
24-Nor-5beta-chol-22-ene-3alpha,6alpha-diol	1.00	1.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	2726.33	2155.25
24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14a...	1.00	1.00
2^,5^-Dichloro-2-biphenylol	13051.67	2197.75
2^,5^-Dichloro-2-biphenylol -0.928	1.00	3793.75
2^,5^-Dichloro-2-biphenylol -0.9906	1.00	1300.25
2^,5^-Dichloro-2-biphenylol -1.1074167	1.00	11118.25
2^,5^-Dichloro-2-biphenylol -2.2870002	4054.00	2922.75
2^,5^-Dichloro-2-biphenylol -2.301	1.00	1.00
(25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-27-oyl ...	14865.33	1.00
(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid	1.00	2059.75
2,6-Dichloro-para-phenylenediamine	110783.67	119492.75
26-Hydroxybrassinolide	2667.00	10017.00
26-Hydroxybrassinolide -1.3260001	1.00	4573.00
26-Hydroxybrassinolide -1.347	1.00	3156.50
26-Hydroxybrassinolide -1.552	1.00	1.00
26-hydroxycholesterol 3-sulfate	2837.33	6962.75
2-(Acetamidomethylene)succinate	1.00	1.00
2-Amino-1,2-bis(p-chlorophenyl)ethanol	23437.33	266525.75
2-Amino-1,2-bis(p-chlorophenyl)ethanol -0.976	1.00	2468.75
2-Amino-1,2-bis(p-chlorophenyl)ethanol -1.971	1.00	1.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine	1.00	5139.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine -1.727	1.00	1.00
2-Amino-2-deoxyisochorismate	7417.33	9484.00
2-Amino-2-deoxyisochorismate -1.108	1.00	1.00
2-Amino-2-deoxyisochorismate -5.6849995	1.00	1878.00
2-Amino-2-deoxyisochorismate -6.237	1.00	1.00
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	1.00	1.00
2-amino-4^-hydroxy-Propiophenone	8423.67	2597.25
2-amino-4^-hydroxy-Propiophenone -1.113	1.00	1.00
2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridin...	1.00	3510.00
2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridin...	1.00	3584.25
2-Aminoacridone	1.00	1.00
2-Benzothiazolesulfonamide	1.00	1.00
2-(beta-D-Glucosyl)-sn-glycerol	1.00	1.00
2-(beta-D-Glucosyl)-sn-glycerol -3.586	1.00	1.00
2-bromopalmitaldehyde	1.00	1.00
2-Chloro-1,1,2-trifluoroethyl ethyl ether	1.00	2774.00
2-Chloro-1,4-naphthoquinone	1.00	1.00
2-Chloro-1,4-naphthoquinone -1.19	1.00	1.00
2-Chloro-1,4-naphthoquinone -1.1949999	1.00	1900.00
2-Chloro-3-oxoadipate	3223.00	1.00
2-C-Methyl-D-erythritol 4-phosphate	20210.33	66013.25
2-C-Methyl-D-erythritol 4-phosphate -2.7582858	34622.67	87223.25
2-C-Methyl-D-erythritol 4-phosphate -2.8216667	1.00	1.00
2-C-Methyl-D-erythritol 4-phosphate -2.861	1.00	1.00
2-Dehydro-3-deoxy-L-rhamnonate	1.00	2030.00
2-Deoxy-2-dimethylamino-alpha-D-Glucose	1.00	1.00
2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate	1.00	1.00
2^-Deoxymugineic acid	13373.33	1.00
2^-Deoxymugineic acid -6.138	5563.67	1.00
2^-Deoxyuridine	3309.33	2158.25
2^-Deoxyuridine -2.391375	121283.33	1.00
2E,4E,8E,10E-Dodecatetraenedioic acid	1.00	2394.00
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-me...	1.00	1.00
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-me...	1.00	1.00
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-me...	1.00	1.00
2^-Hydroxy-2,4^,6^-trimethoxychalcone	1.00	16440.75
2-Hydroxy-2-hydropyrone-4,6-dicarboxylate	1921.67	1.00
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone	1.00	11992.75
2^-Hydroxy-3,7,8,4^,5^-pentamethoxyflavone -2.381	1.00	1.00
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 -1.54	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -4.201	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -4.2415	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -4.335	1.00	1.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate -4.38150...	1.00	1.00
2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate	1.00	1.00
2-hydroxy-4- (methylthio) butyric acid	1.00	1.00
2-hydroxy-4- (methylthio) butyric acid -2.397	1.00	1.00
2^-Hydroxydaidzein	1.00	1510.25
2-hydroxy-decanedioic acid	1.00	1.00
2-Hydroxyisophthalic acid	1.00	1.00
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	1.00	1.00
2-Hydroxymethylclavam	1.00	3936.50
2-Indanone oxime	5949.00	10597.75
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	191245.00	199437.75
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane -5....	1.00	1.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane -5....	3699.33	7143.75
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane -6....	1.00	1.00
2-Methoxyestradiol-17? 3-sulfate	1.00	1.00
2-methyl-dodecanedioic acid	1.00	1.00
2-methyl-dodecanedioic acid -1.712	1.00	1.00
2-methylene-4-oxo-pentanedioic acid	1.00	1.00
2-methylene-4-oxo-pentanedioic acid -2.064	1.00	1.00
2-methylene-4-oxo-pentanedioic acid -2.3125	1.00	1.00
2-methyl-tridecanedioic acid	1.00	1588.00
2-methyl-undecanoic acid	1.00	1.00
2-Naphthalenesulfonic acid	1.00	1664.00
2-Naphthalenesulfonic acid -1.341	1.00	1.00
2-(N-morpholino)ethanesulfonic acid	34125.00	7532.25
2-(N-morpholino)ethanesulfonic acid -3.325	1.00	1.00
2-O-a-L-Fucopyranosyl-galactose	1.00	1.00
2-O-a-L-Fucopyranosyl-galactose -6.0594997	1.00	1.00
2-O-Caffeoylglucarate	1.00	1.00
2-Oxo-4-hydroxy-5-aminovalerate	1.00	1.00
2-Oxo-4-methylthiobutanoic acid	1.00	1.00
2-oxo-dodecanoic acid	1.00	1.00
2-oxo-octadecanoic acid	31226.33	18542.00
2-Oxopropyl-CoM	11229.67	1.00
2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile	1.00	1.00
2-Propylmalate	2563.33	1.00
2-Pyridyl hydroxymethane sulfonic acid	106696.33	38634.25
2-Pyridyl hydroxymethane sulfonic acid -1.5127691	14949.67	11003.75
(2S)-2-Phospholactate	8114.00	1.00
(2S)-4^-Hydroxy-5,7,3^-trimethoxyflavan	5901.67	42459.00
(2S,5S)-trans-Carboxymethylproline	1.00	6450.50
(2^S)-Deoxymyxol 2^-(2,4-di-O-methyl-?-L-fucoside)	1.00	1673.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	15922.33	43537.25
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -1.2371602	34962.33	55069.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -1.3310001	1.00	1.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid -1.362	1.00	1.00
3?,12?-Dihydroxy-5?-cholan-24-oic Acid	367350.00	217482.50
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -1.3375001	1894710.67	1006181.25
3?,12?-Dihydroxy-5?-cholan-24-oic Acid -1.438	1.00	1.00
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid	1.00	4710.25
3?,12?-Dihydroxy-7-oxo-5?-cholestan-26-oic acid -1.2685001	1.00	1.00
3-(1-Carboxyvinyloxy)anthranilate	1.00	2428.75
3-(1-Carboxyvinyloxy)anthranilate -2.329	1.00	2166.25
3-(3,4-Dihydroxyphenyl)lactate	1.00	3998.75
3-(3,4-Dihydroxyphenyl)pyruvate	1.00	1.00
3,3^-Dimethoxybenzidine	3854.33	10947.25
3,3^-Dimethylbenzidine	2622.33	5852.25
3,3-Dimethyl-butanoic acid	1.00	1.00
3,4,2^,4^,alpha-Pentahydroxychalcone	1.00	1.00
34:5(19Z,22Z,25Z,28Z,31Z)	112864.33	41411.75
3,4^,5-Trihydroxystilbene	1.00	5594.25
3,4^,5-Trihydroxystilbene -1.107	1.00	1.00
34:6(16Z,19Z,22Z,25Z,28Z,31Z)	5620.67	9067.25
3^,4^-dihydroxyflurbiprofen	6457.00	2309.50
3,4-Dimethylbenzoic acid	1.00	1.00
3,5,7,8-Tetramethoxyflavone	1.00	1.00
3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6^^-O-4, 6^^^-O-...	1.00	5106.25
3?,5?-Tetrahydronorethindrone glucuronide	1.00	1.00
3,6-Dideoxy-L-galactose	2505.33	1.00
3,6-dioxo-decanoic acid	2357.67	1843.25
3,6-dioxo-decanoic acid -2.341	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	4915.67	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1.2321428	3892.00	1470.50
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1.2574999	1.00	1349.75
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1.4435909	50847.33	14766.75
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1.4796999	74361.00	40123.75
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid -1.856	1.00	1.00
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid	1.00	1379.50
3?,7?,12?-Trihydroxy-6-oxo-5?-cholan-24-oic Acid -1.381	1.00	1.00
3,7,12-Trioxo-5?-chol-1-en-24-oic Acid	4716.67	1.00
3,7,12-Trioxochola-1,4-dien-24-oic Acid	74465.67	80340.25
3,7-Dimethyl-2E,6-octadienyl acetate	2983.67	5144.75
3,7-Dimethyl-2E,6-octadienyl acetate -0.9015	1.00	1.00
3,7-Dimethyl-2E,6-octadienyl acetate -1.381	1.00	1.00
3,7-Dimethyl-2E,6-octadienyl acetate -1.434	1.00	1.00
3,7-Dimethyl-2E,6-octadienyl acetate -1.689	1.00	1.00
3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid	1.00	1.00
3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid -1.845	1.00	1.00
3a,7b,12a-Trihydroxyoxocholanyl-Glycine	1.00	1.00
3?-Acetoxydeoxodihydrogedunin	1.00	1.00
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate	1.00	1.00
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate -1.4...	1.00	1.00
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate -1.4...	1.00	1632.00
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...	13972.00	1.00
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-2...	6039.00	14701.25
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-2...	1.00	4115.25
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-2...	3620.67	1265.75
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-choles...	1.00	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	3211.67	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide -2.2	1.00	1.00
3-Amino-4,7-dihydroxy-8-chlorocoumarin	1.00	1.00
3-Amino-4-hydroxybenzoic acid	1.00	1.00
3-Amino-4-hydroxybenzoic acid -0.9185	1.00	1.00
3b,16a-Dihydroxyandrostenone sulfate	7565.33	3850.00
3b,16a-Dihydroxyandrostenone sulfate -0.891	1.00	1.00
3b,16a-Dihydroxyandrostenone sulfate -1.0186667	1.00	1.00
3b,16a-Dihydroxyandrostenone sulfate -1.0795	1.00	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol	5035.33	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol -1....	1.00	1.00
3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol -1....	1.00	1.00
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	1.00	1.00
3-Carboxy-7-chloro-1,2,4-benzothiadiazine-1,1-dioxide	11539.67	1.00
3-Carboxy-7-chloro-1,2,4-benzothiadiazine-1,1-dioxide -3.335...	1.00	1.00
3-Deoxy-D-manno-octulosonate 8-phosphate	1.00	1.00
3-Deoxyguanosine	3288.00	1.00
3-Furoic acid	2390.00	7862.25
3-heptenal	1.00	1.00
3-hexenal	1.00	1.00
3-(Hydrohydroxyphosphoryl)pyruvate	1.00	1.00
3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid	2374.67	9392.75
3-?-hydroxyandrost-5-en-17-one sulfate	1.00	14029.00
3-Hydroxybenzyl alcohol	4645.33	1.00
3-Hydroxybenzyl alcohol -1.3658749	1.00	21888.75
3-hydroxy-dodecanedioic acid	1.00	9328.00
3-hydroxy-dodecanedioic acid -1.114	1.00	1319.50
3-Hydroxyquinaldic acid	7047.67	2081.00
3-hydroxy-suberic acid	1.00	3036.50
3-hydroxy-suberic acid -2.281	1.00	1.00
3-hydroxy-tetradecanedioic acid	1.00	1.00
3-iodo-hexadecanoic acid	1.00	3101.50
3-Isopropyl-3-butenoic acid	1.00	10853.75
3-Isopropyl-3-butenoic acid -2.681	1.00	1.00
3-Isopropylcatechol	1.00	2176.75
3-Isopropylcatechol -1.317	1.00	1.00
3-Isopropylcatechol -1.632	1.00	20577.00
3-Keto-scyllo-inosamine	1.00	1.00
3-Mercapto-2-mercaptomethylpropanoate	1.00	1.00
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime	1.00	3378.75
3-methoxy Limaprost	3052.67	1.00
3-methyl-2,5-dioxo-3-Pyrrolidineacetic acid	1.00	1318.75
3-methyl-adipic acid	7914.33	3314.25
3-methyl-adipic acid -1.3815	1.00	1.00
3-methyl-adipic acid -1.4302106	2392.00	36030.75
3-methyl-adipic acid -1.839	1.00	5743.75
3-methyl-adipic acid -1.9452858	56291.00	47553.75
3-methyl-adipic acid -5.694	1.00	1.00
3-Methylfluoranthene	1.00	1281.00
3-methyl-tetradecanedioic acid	1.00	3005.00
3-methyl-tetradecanedioic acid -1.4	1.00	1.00
3-Methyluridine	1.00	1.00
3-oxoglycyrrhetinic acid	1.00	6791.00
3-oxo-nonanoic acid	1.00	1524.00
3^-Oxopentobarbitone	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid	1.00	50645.25
(3R)-3-isopropenyl-6-oxoheptanoic acid -1.2273333	1.00	1308.50
(3R)-3-isopropenyl-6-oxoheptanoic acid -1.39	1.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid -1.867	1.00	1.00
3R-hydroxy-tridecanoic acid	1.00	1.00
3-Sulfino-L-alanine	1.00	2067.25
3-Sulfopyruvic acid	1.00	1.00
4,12-dihydroxy-hexadecanoic acid	1.00	3973.25
4-(1-piperazinyl)-1H-Indole	1.00	1.00
4-(2,3-dichlorophenyl)-5,7-dihydro-2-methyl-5-oxo-Furo[3,4-b...	22898.00	29726.75
4-(2-Aminophenyl)-2,4-dioxobutanoic acid	1.00	1.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol	1.00	1.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol -2.138	1.00	1842.75
4,4^-Biphenyldithiol	1.00	2517.50
4,4^-Dichlorobenzophenone	1.00	2905.50
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-on...	1.00	1.00
4,4^-Thiodianiline	1.00	1412.25
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	1.00	7611.00
4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-yl]methyl]-...	2217.33	1709.50
4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-yl]methyl]-...	1.00	1.00
4,5-didemethylsimmondsin	1.00	1.00
4,5^-Dimethylangelicin	1.00	1.00
4,5-seco-Dopa	3029.67	7338.50
4,7,10,13,16-Docosapentaynoic acid	1.00	1.00
4,7-dioxo-octanoic acid	1.00	1.00
4-Acetamido-2-amino-6-nitrotoluene	1.00	1.00
4-Amino-4-deoxychorismic acid	1.00	1.00
4-Amino-7-chloroquinoline	46553.00	23511.00
4-Aminobenzenesulfonate	62184.33	44134.00
4-Aminocatechol	8824.33	5740.00
4-Bromophenylthiourea	1.00	1.00
4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one	1.00	2138.00
4-Chlorobiphenyl	1.00	1.00
4-Chlorobiphenyl -1.1905	2322.00	1.00
4-Chlorochalcone	2684.33	1572.00
4-Dedimethylamino-4-oxo-anhydrotetracycline	1927.33	1.00
4-ethyl-hexanoic acid	1.00	5732.25
4-Formylsalicylic acid	25806.00	3254.25
4-Heptyloxyphenol	1.00	1.00
4-Hydroxy-2-quinolone	374755.33	276559.25
4-Hydroxy-2-quinolone -1.1643333	1.00	1.00
4-Hydroxy-2-quinolone -1.20325	1.00	6617.00
4-Hydroxy-2-quinolone -1.4356667	1.00	1.00
4-Hydroxy-2-quinolone -1.712	2087.00	1.00
4-Hydroxy-2-quinolone -1.879154	12086.67	12246.00
4-Hydroxy-2-quinolone -1.972	1.00	1.00
4-Hydroxy-2-quinolone -2.0	1.00	1.00
4-Hydroxy-2-quinolone -2.345	1.00	1.00
4-Hydroxy-2-quinolone -2.4002001	4511.00	1.00
4^-Hydroxy-5,7-dimethoxy-8-methylflavan	1.00	1.00
4^-Hydroxy-5,7-dimethoxyflavanone 4^-[2-(5-Cinnamoyl)-beta-D...	1.00	1282.75
4-Hydroxyethinylestradiol	142278.67	136487.75
4-Hydroxyethinylestradiol -1.1120001	1.00	1.00
4-Hydroxyethinylestradiol -2.099	175817.00	164168.25
4-Hydroxyethinylestradiol -2.409308	149087.00	247319.75
4-Hydroxyfurano[2^^,3^^:6,7]aurone	1.00	8932.00
4-Hydroxyfurano[2^^,3^^:6,7]aurone -2.9708	1.00	1.00
4-Hydroxyfurano[2^^,3^^:6,7]aurone -3.3066	1.00	6790.00
4-Hydroxypenbutolol glucuronide	4712.00	1.00
4^-Hydroxypenbutolol glucuronide	1.00	1.00
4^-Hydroxypenbutolol glucuronide -2.5305	1.00	1.00
4^-Hydroxypenbutolol glucuronide -3.255	1.00	1.00
4^-Hydroxypenbutolol glucuronide -3.354	1.00	1.00
4-Hydroxyphenyllactic acid	3798.00	1.00
4-Hydroxyphenyllactic acid -1.3204999	3821.33	1.00
4-Hydroxyphenyllactic acid -1.547	1.00	1.00
4-keto palmitic acid	1.00	1.00
4-Ketoretinoic acid glucuronide	1.00	1.00
4-Methyl-3-oxoadipate	1.00	4902.75
4-Methylbenzyl alcohol	1.00	1.00
4-Methylhistamine	11727.67	18747.75
4-Methylthiobutyl-desulfoglucosinolate	6190.33	1.00
4-Methylthiobutylthiohydroximate	1.00	1.00
4-Methylthiobutylthiohydroximate -1.182	1768.33	1.00
4-Methylumbelliferyl ?-D-glucuronide	1.00	1.00
4-Methylumbelliferyl sulfate	23503.00	9370.75
4-octenal	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone	108854.67	75929.25
4-Oxo-1-(3-pyridyl)-1-butanone -1.246	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone -1.8735	1.00	1.00
4-Oxo-1-(3-pyridyl)-1-butanone -2.4285	1.00	1.00
4-oxo capric acid	1.00	1.00
4-Oxovalproic acid	1.00	1.00
4-Pentenoic acid, 3-oxo-	1.00	1.00
4-Pentenoic acid, 3-oxo- -2.8733332	1.00	1.00
4-Pentenoic acid, 3-oxo- -2.92	1.00	1.00
4-Pentenoic acid, 3-oxo- -5.7076664	1.00	1.00
4-Pentenoic acid, 3-oxo- -6.056	1.00	2585.00
4-Phospho-N-pantothenoylcysteine	1.00	1.00
4-Phosphopantothenoylcysteine	13169.00	13582.25
4-Phosphopantothenoylcysteine -1.1252	3840.67	3962.00
4-Phosphopantothenoylcysteine -1.1638001	35622.67	24781.75
4-Propylphenol	1.00	1.00
4-Pyridoxic acid	1.00	1.00
4-Pyridylthioamide	1.00	1.00
(4S)-4,5-Dihydroxypentan-2,3-dione	32788.33	51147.50
(4S)-4,5-Dihydroxypentan-2,3-dione -6.062	1.00	1.00
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate	6231.67	20256.50
4-Sulfobenzaldehyde	12412.67	7645.50
4-Sulfobenzaldehyde -0.99399996	1.00	12858.50
4-Sulfobenzoate	1.00	1.00
4-Sulfobenzoate -0.913	1.00	1.00
4-Sulfobenzoate -1.839	1.00	1.00
4-Sulfobenzyl alcohol	5546.67	15346.75
4-Sulfobenzyl alcohol -2.237	1780.33	1.00
4-Sulfobenzyl alcohol -2.2875884	6912.00	8693.50
4-Sulfolactone	8270.67	1.00
4-Sulfolactone -2.21	1.00	1.00
4-Sulfolactone -2.2556365	4271.67	1.00
4-Sulfolactone -2.3354669	15674.00	15130.00
5,2^-Dihydroxy-6,7,8,6^-tetramethoxyflavanone	1.00	1623.75
5-(3-Buten-1-ynyl)-2,2^-bithiophene	22354.00	21127.75
5-(3-Buten-1-ynyl)-2,2^-bithiophene -2.2383335	13788.00	7579.75
5-(3-Buten-1-ynyl)-2,2^-bithiophene -2.3270001	1.00	1.00
5,3^-Dihydroxy-2^-methoxy-6,7-methylenedioxyisoflavone	11039.67	1.00
5,3^-Dihydroxy-4^,5^-dimethoxy-6,7-methylenedioxyisoflavone	1.00	1.00
5,4^-Dihydroxy-7^-methoxy-8-methylflavan	1.00	7761.00
5,4^-Dihydroxy-7^-methoxy-8-methylflavan -1.502	1.00	1.00
5,4^-Dihydroxy-7^-methoxy-8-methylflavan -1.5465555	5366.00	14147.75
5,4^-Dihydroxy-7^-methoxy-8-methylflavan -1.608	1.00	1.00
5-(4-Hydroxybut-1-ynyl)-2,2^-bithiophene	4604.00	12106.00
5-(4-Hydroxybut-1-ynyl)-2,2^-bithiophene -2.138	1.00	1.00
5-(4-Hydroxybut-1-ynyl)-2,2^-bithiophene -2.2315001	1.00	4177.50
5,6-Dihydroxy-7,8,4^-trimethoxyflavone	1.00	1.00
5,7,2^,3^,4^-Pentamethoxyflavanone	1.00	1606.25
5,7,2^,5^-Tetramethoxyflavanone	7858.67	1.00
5,7,2^,5^-Tetramethoxyflavanone -2.404	1.00	1.00
5,7,3^,4^,5^-Pentahydroxyflavanone	1.00	1.00
5,7,3^-Trihydroxy-6,4^,5^-trimethoxyflavanone	2594.67	2257.25
5,8-Dihydroxy-3,7,2^,3^,4^-pentamethoxyflavone	1.00	1550.00
5-Acetylamino-6-formylamino-3-methyluracil	3716.33	6084.75
5-Acetylamino-6-formylamino-3-methyluracil -1.197	1.00	1.00
5a-Dihydrotestosterone sulfate	40083.33	19296.75
5a-Dihydrotestosterone sulfate -0.98	1.00	1.00
5a-Dihydrotestosterone sulfate -0.98774993	1.00	5997.75
5a-Dihydrotestosterone sulfate -1.031	1.00	1.00
5-aminosalicyluric acid	1.00	1.00
5-aminosalicyluric acid -0.7385	1.00	1571.50
5-Azacytidine 5^-diphosphate	1.00	1.00
5-azauridine	1.00	1.00
5b-Pregnanediol	1.00	1.00
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide	1.00	1.00
5?-Cholestane-3?,6?,7?,25,26-pentol	1.00	1610.25
5?-Cholestane-3?,7?,12?,24,26,27-hexol	2156.67	1.00
5-Cholestene-3?,7?,12?,25,26-pentol	7900.00	3124.25
5-Cholestene-3?,7?,12?,25,26-pentol -1.4466667	1.00	1.00
5?-Cyprinolsulfate	4521.67	3577.75
5?-Cyprinolsulfate -5.9649453	21323.67	41323.25
5-Fluoromuconolactone	36460.00	6513.50
5-Fluoromuconolactone -2.017	1.00	1.00
5-Fluoromuconolactone -2.144	1.00	1.00
5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-6-ol, 8-chloro-6,11-di...	1.00	1.00
5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid	1.00	3555.25
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-3,7,8-trimethoxy-3^,4^-methylenedioxyflavone	1.00	1995.25
5-Hydroxy-3,7-dimethoxy-3^,4^-methylenedioxyflavone	2063.00	1633.00
5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside	1.00	2803.75
5-Hydroxycisapride	1.00	1.00
5-Hydroxyconiferaldehyde	1.00	1.00
5-Hydroxyectoine	1.00	11216.75
5-Hydroxyferulate	1.00	1.00
5-Hydroxyindol-2-carboxylic acid	2913.00	1.00
5-Hydroxyindol-2-carboxylic acid -2.229	1.00	1.00
5-Hydroxyisourate	1.00	2389.25
5-Methyl-2-furaldehyde	1.00	1.00
5-Methyl-2-furaldehyde -1.1259999	14902.00	4274.75
5-O-Feruloylquinic acid	7885.00	59750.25
5-O-Feruloylquinic acid -2.609	1.00	1.00
5-O-Feruloylquinic acid -2.848	2264.33	1.00
5-O-Feruloylquinic acid -2.915091	9714.33	41061.25
5-O-Methylvisamminol	1.00	6340.25
5-Oxoavermectin ^^1b^^ aglycone	2250.67	5583.75
5^^-Phosphoribostamycin	1.00	1.00
5^^-Phosphoribostamycin -2.5314999	1.00	1.00
5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole	1.00	1.00
5-Phosphoribosylamine	1.00	1.00
5(S),12(R)-DiHETE	3601.67	1.00
5-Sulfosalicylic acid	1.00	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1.00	2026.00
5-Trifluoromethyl-2,4-disulfamoylaniline	1.00	1317.00
6-(2-Chloroallylthio)purine	5894.00	2589.25
6-(2-Chloroallylthio)purine -1.193	2888.33	1.00
6-(2-Chloroallylthio)purine -5.412	25893.33	1.00
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^1b^^ aglycone	1.00	1.00
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^2b^^ aglycone	1.00	3414.50
6,8-Dihydroxypurine	140773.00	313327.50
6,8-Dihydroxypurine -2.1185	1.00	1.00
6,8-Dihydroxypurine -2.338	1.00	1.00
6,8-Dihydroxypurine -2.4969285	6535.33	7742.25
6-(Allylthio)purine	1.00	1.00
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphat...	1.00	1.00
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate	1.00	2064.50
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate -1.037	1.00	4374.25
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol	1.00	1.00
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol ...	1.00	1.00
6E-nonenoic acid	1.00	1.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	1.00	1.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol -1.3475	1.00	3250.50
6-hydroxy caproic acid	1.00	1.00
6-HydroxyKetanserin	1.00	1844.00
6-Hydroxyluteolin 7-[6^^-(3-hydroxy-3-methylglutaryl)glucosi...	1.00	1.00
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	1.00	1.00
6-(Isopropylthio)purine	70324.67	57277.50
6k-PGF1alpha-d4	1.00	1.00
6-Methylmercaptopurine	23773.67	1.00
6-Methylmercaptopurine -2.3945	1.00	1.00
6-Methylmercaptopurine -3.3528	7053.67	1.00
6?-Methylprednisolone Acetate	2433.00	1532.75
6?-Methylprednisolone Acetate -1.0103333	1.00	1.00
6?-Methylprednisolone Acetate -1.056	1.00	4189.50
6?-Methylprednisolone Acetate -1.097	1.00	1.00
6-Methylthiopurine ribonucleotide	2347.00	1.00
6-Oxocineole	1.00	1.00
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucl...	1.00	1.00
6-Sialyl-N-acetyllactosamine	1.00	1554.50
6-Thioguanosine monophosphate	1.00	3058.75
6-Thioguanosine monophosphate -2.9136667	1.00	3841.00
6-Thiouric acid	12728.67	17735.00
6-Thiouric acid -1.289	1.00	6463.75
6-Thiouric acid -2.2332501	1.00	6123.50
6-Thiouric acid -3.2354999	1.00	1.00
6-Thiouric acid -3.318	1.00	1.00
6-Thioxanthine	1.00	1.00
6-Thioxanthine -2.2635	10356.00	1.00
6Z,11Z-octadecadienoic acid	1.00	1.00
7,4^-Dihydroxy-8-prenylflavone	1.00	1.00
7-Chloroethyltheophylline	1.00	2118.00
7-Chloroethyltheophylline -2.9164999	7346.67	4054.25
7-Chlorokynurenic Acid	1.00	1.00
7-Dehydrologanin tetraacetate	2677.00	4035.25
7-Deoxyloganate	1.00	1.00
7?-Hydroxy-3-oxochola-1,4-dien-24-oic Acid	1.00	1.00
7-Hydroxy-5,8,2^-trimethoxyflavanone	1.00	1715.25
7?-Hydroxy-5?-cholan-24-oic Acid	9180.67	7622.25
7-Hydroxyrisperidone	1.00	1.00
7-hydroxy Tetranor Iloprost	4541.67	1.00
7-keto-n-caprylic acid	1.00	4689.50
7-Methylxanthine	425080.67	154842.75
7-Methylxanthine -1.7006316	63510.00	39902.25
7-Methylxanthine -3.438	2411.00	1.00
7-nonynoic acid	1.00	1.00
7-nonynoic acid -1.258	1.00	2288.25
7-nonynoic acid -1.544	1.00	1.00
7-Oxoheptanoic acid	11157.67	1.00
7-Oxoheptanoic acid -2.083	1.00	3520.25
7-Sulfocholic acid	8018.67	12297.75
7-Sulfocholic acid -1.2636191	16095.33	23552.75
7-Sulfocholic acid -1.3797001	1.00	17360.00
7-Sulfocholic acid -1.459	1.00	2064.00
7-Sulfocholic acid -1.4835	26681.33	24719.00
7-Sulfocholic acid -1.775588	44869.67	22560.50
7-Sulfocholic acid -1.8697693	12608.67	12905.25
8-Demethyllatifolin	1.00	1.00
8-Demethyllatifolin -1.946	1.00	1.00
8-Demethyllatifolin -2.4451668	1.00	2993.75
8-Dimethylallyllisetin	3257.00	3155.50
8-D-Olivosyl-landomycin	1.00	1.00
8-D-Olivosyl-landomycin -5.52	1.00	1.00
8-D-Olivosyl-landomycin -5.631	1.00	1.00
8-D-Olivosyl-landomycin -5.689	1.00	1.00
8E,10E-Pentadecadienyl acetate	1.00	1.00
8-Hydroxy-7-methylguanine	31992.33	21054.00
8-Hydroxyadenine	1.00	1.00
8-Hydroxyadenine -3.929	1.00	1.00
8-Hydroxyprochlorperazine glucuronide	3338.67	1742.75
8-Hydroxypurine	1.00	1.00
8-Hydroxyquercetagetin	5808.00	7790.75
8-Iodocatechin Tetramethyl Ether	1.00	1950.25
8-oxo-9,11-octadecadiynoic acid	1.00	1.00
8S-hydroxy-2E-Decene-4,6-diynoic acid	1.00	1.00
8-tridecynoic acid	5643.33	8078.50
8-tridecynoic acid -1.115	1.00	1.00
8Z-undecenoic acid	1.00	1.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid	2760.67	1.00
9,10-Epoxy-18-hydroxystearate	1.00	1793.50
9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-...	1.00	1.00
9,11-Octadecadiynoic acid, 8-oxo-	1.00	1.00
9,12-dioxo-dodecanoic acid	25089.33	9099.25
9,12-dioxo-dodecanoic acid -1.3846666	1.00	2332.50
9,12-dioxo-dodecanoic acid -1.4482608	12296.67	11379.00
9,12-dioxo-dodecanoic acid -1.4790001	1.00	1282.25
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-...	1.00	1.00
9-cis-Retinoic acid	5862.00	4534.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	8836.00	98019.75
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -1.505	1.00	2199.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -1.6275	1.00	2487.25
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -1.731	1.00	2360.75
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid -1.798333...	1.00	1491.50
9-hydroxy-16-oxo-hexadecanoic acid	1.00	1.00
9-hydroxy-16-oxo-hexadecanoic acid -1.517	1.00	1.00
9-Hydroxy-2,6-dichlorodibenzofuran	1.00	4352.50
9-hydroxy-hexadecan-1,16-dioic acid	1.00	44267.25
9-hydroxy-hexadecan-1,16-dioic acid -2.198	1.00	1.00
9-Hydroxyrisperidone	2527.33	1.00
9-Hydroxyrisperidone -1.2563334	8334.33	1.00
9-Hydroxyrisperidone -1.6941334	13100.00	8640.00
9R,10S,18-trihydroxy-stearic acid	1.00	11012.00
9S,10S,11R-trihydroxy-12Z-octadecenoic acid	11640.00	30268.25
9S,10S,11R-trihydroxy-12Z-octadecenoic acid -1.2605456	1.00	6314.00
9S,12S,13S-trihydroxy-10E-octadecenoic acid	1.00	1.00
9-undecynoic acid	1.00	1.00
Abu-Asp-OH	9596.33	1.00
Abu-Asp-OH -2.118	8086.33	1.00
Acamprosate	15615.67	1.00
Acamprosate -2.12	1.00	1.00
Acamprosate -5.9867997	1.00	8803.25
Acamprosate -6.04405	35124.00	16833.75
Acarbose (component 1)	1.00	1.00
Acarbose (Glucobay)	1.00	1.00
Acarbose (M8)	1.00	2209.25
Acenaphthenequinone	1.00	1.00
Acesulfame-K	1.00	1.00
Acetic acid	2873.00	8154.50
Acetic acid -2.748	1.00	1.00
Acetic acid -2.8195999	1.00	8079.75
Acetic acid -2.899	1.00	1.00
Acetylcorynoline	1.00	1.00
Acetylenedicarboxylate	232038.33	210038.50
Acetylenedicarboxylate -5.7765	1.00	1.00
Acetylshikonin	1.00	1.00
Acetylshikonin -1.1595384	3274.33	8676.25
Acetylshikonin -1.3303845	4095.33	8166.75
Acetylshikonin -1.4697	1.00	7987.00
Acetylshikonin -1.5375884	3978.67	10786.00
Acetylshikonin -1.6105001	1.00	1.00
Aclacinomycin S	37808.33	38101.75
Adenine	1.00	1.00
Agavegenin A	1.00	3866.75
Agavegenin A -1.162	2736.00	1.00
ajugalactone	1.00	2550.50
Akeboside Ste	1.00	1.00
Aknadicine	1.00	1.00
AK-toxin I	2090.67	2600.25
Ala Gln Phe	1.00	2898.75
Alanylclavam	3054.67	1.00
Alanylclavam -1.13	1.00	1.00
alatolide	4568.00	1.00
alatolide -2.8825	4911.33	1.00
Ala Trp Ala	1.00	1.00
Ala Trp Arg	1.00	1.00
albendazole (V)	1.00	1.00
Alfentanil	1.00	5311.50
Alfentanil -1.5295	1.00	1.00
Alfentanil -1.8429999	1.00	1.00
Allamandin	1.00	1.00
Allopregnanalone sulfate	7596.67	5997.25
allopurinol	114731.33	101799.50
Allosamidine	1.00	2706.50
Allyxycarb	1.00	1.00
alpha-Antiarin	1.00	1.00
alpha-Fluoro-beta-alanine	1.00	1.00
alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid	1.00	2503.50
alpha-Terthienyl	1.00	1.00
Alteichin	1.00	1.00
Alteichin -3.4125	1.00	1.00
Alteichin -4.123	1.00	1.00
altretamine	1.00	1893.25
Amisulbrom	1758.33	1.00
AMPA	1.00	1.00
Amprenavir	1.00	1.00
Amprenavir -3.2565	1.00	1.00
Ancitabine	1694.00	1.00
Androsterone glucuronide	33021.00	1.00
Angolensic Acid, Methyl Ester	26002.00	28201.00
Angolensic Acid, Methyl Ester -1.1289166	12266.67	28158.00
Angolensic Acid, Methyl Ester -1.4619999	2732.00	2356.25
Anibine	4331.00	1.00
Anibine -6.026	1.00	1.00
Anisole	1.00	15225.00
Anisole -0.775	1.00	1407.25
Antimony tartrate	1.00	1.00
Antirrhinoside	1.00	1.00
APC	3224.33	1684.75
Arabinosylhypoxanthine	1.00	1.00
Arabinosylhypoxanthine -1.1125001	1.00	1.00
Arabinosylhypoxanthine -3.0118744	171828.00	97862.75
Aralionine A	1854.67	1.00
Archaetidylglycerol-myo-inositol	1.00	1.00
Archangelolide	1.00	1.00
Arene oxide	1.00	1370.00
Arg Glu Gly	1.00	1824.75
Arg Glu Gly -2.217	1.00	1.00
Arg Met Lys	1.00	1.00
Arg Phe Pro	1.00	1.00
Arg Phe Thr	1927.33	2887.75
Arg Trp Arg	2332.67	1.00
Arg Trp Arg -2.537	1.00	1.00
Arg Trp Trp	1.00	1723.50
Argyrolobine	1.00	2141.50
Argyrolobine -2.787	1.00	1.00
Argyrolobine -2.971	1.00	1.00
Argyrolobine -3.367	1.00	1.00
Argyrolobine -3.5085	1.00	1.00
Artemether	1.00	1.00
Artemetin	1.00	1.00
Artemetin -1.2420001	1.00	1.00
Artocarpetin B	2996.67	1.00
Artoindonesianin A	2359.33	3512.25
Artoindonesianin A -3.2625	1.00	1.00
(-)-Asbestinine 2	1.00	1.00
Asn Asn Asn	1.00	4579.25
Asn Asp	5923.67	6409.75
Asn Asp Tyr	1.00	1.00
Asn His Ile	1.00	1.00
Asn Phe Lys	1.00	2386.75
Asn Trp Leu	1.00	2017.50
Asn-Trp-OH	2861.67	2460.50
Asn-Trp-OH -1.111	1.00	1609.25
Asp-Asn-OH	1.00	1.00
Asp Cys	9003.00	1.00
Asp Cys -5.786266	39822.33	1492.75
Asp Cys -6.03619	59156.00	14666.25
Aspidinol	1.00	23438.00
Aspidinol -1.513	1.00	1.00
Aspirin	7336.67	1.00
Asp-Lys-OH	1.00	1.00
Asp-Met-OH	1679.67	1.00
Asp Phe Lys	1.00	1.00
Asp Pro Gln	1.00	1.00
Asp Thr Phe	1.00	10418.50
Asp Trp Arg	4495.33	1497.25
Astaxanthin glucoside	5904.67	6921.00
Auranofin	1.00	1.00
Aurasperone D	1.00	1.00
Auricularine	4253.67	2376.25
Avenacin B-2	7828.33	15990.50
Avermectin A2a aglycone	1.00	1.00
Avermectin B1b aglycone	1.00	1.00
Avermectin B1b aglycone -1.0295	1.00	1.00
Ayapin	1.00	1433.50
Azafenidin	1.00	4418.25
Azathioprine	1.00	1884.25
Aziridyl benzoquinone	10121.33	11199.25
Aziridyl benzoquinone -2.111	1.00	7911.00
Bacterio-chlorophyll b	1.00	1.00
bacteriohopane-32,33, 34-triol-35-carbamate	1.00	17637.50
Baptifoline	1.00	2614.50
Baptifoline -2.939	1.00	5621.50
Baptifoline -2.954	1.00	1.00
Baptifoline -3.5265002	1.00	2980.50
Baptifoline -3.586	1.00	3317.00
Baptifoline -3.629	1.00	1665.50
Baptifoline -3.72	1.00	1.00
Barbatoflavan	6498.33	8335.00
Barbatoflavan -1.032	1.00	1.00
Barbatoflavan -1.1152856	1.00	1379.25
BAY-60-7550	1.00	1559.00
BAY-60-7550 -1.42225	1.00	1.00
BAY-60-7550 -2.0805001	1.00	1.00
bayogenin 3-O-cellobioside	1797.67	1612.00
bayogenin 3-O-cellobioside -1.045	1.00	1.00
bayogenin 3-O-cellobioside -1.1213332	1.00	1981.00
Beclomethasone dipropionate	2608.67	1.00
Beclomethasone dipropionate -1.713	1.00	1.00
Benfuresate	1.00	1.00
Benodanil	1.00	1.00
Benoxacor	3258.00	5318.00
Benoxacor -2.2353334	1.00	1870.25
Benoxacor -2.357	1.00	1.00
Benoxacor -2.492	1.00	1.00
Benquinox	1.00	1.00
Benthiavalicarb isopropyl	1.00	6789.25
Benzal chloride	65484.33	1.00
Benzal chloride -7.2395	1.00	1.00
Benzal chloride -7.2725005	1.00	1.00
Benzal chloride -7.327	1.00	1.00
Benzylsuccinate	13179.67	1.00
Bestatin	1.00	1.00
Bestatin -2.7367501	1.00	3296.25
Bestatin -2.857	1.00	1.00
Bestatin -3.302	1.00	1.00
Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol	1.00	1567.00
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecapr...	1.00	1.00
beta-Snyderol	1.00	2708.25
b-Glucose	11547.00	1526.50
b-Glucose -2.9282498	22673.33	1.00
Bicalutamide	1.00	1.00
Bifonazole	1.00	1.00
BILA 2185BS	1.00	1624.50
Biliverdin IX	1.00	1.00
Bis(4-hydroxyphenyl)methanol	1.00	1.00
bis(7)-Tacrine	1.00	1.00
Bisindolylmaleimide I	2414.67	2664.50
Bisindolylmaleimide I -0.988	1.00	1.00
Bismuth subsalicylate	6604.00	5072.25
Bisulfite	4565.00	1.00
Boc-Asn	4937.33	6699.50
Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe	1.00	2616.50
Borreverine	2254.33	1.00
Braxoron	1.00	1328.00
Brevetoxin C	1.00	1.00
brinzolamide	1.00	1.00
Bromacil	1.00	1.00
Bromhexine	10840.67	9492.00
Bromobutide	1.00	1.00
Bromophos-ethyl	22457.33	26260.25
Bromophos-ethyl -6.239	1.00	1.00
Bruceantin	1.00	1.00
Brugine	1.00	1.00
Bryophyllin A	1.00	1.00
Bryophyllin A -1.4825001	1.00	1.00
Bryostatin 1	1.00	2678.75
Bryotoxin A	1.00	1.00
Busulfan	1.00	1.00
Buthiobate	4953.33	1.00
Butopyronoxyl	4637.67	2309.50
Butopyronoxyl -1.2939999	1.00	1.00
Butopyronoxyl -1.455	1.00	1.00
BW 246C	1.00	1715.25
Byakangelicin	1.00	2349.00
C16-OH Sulfatide	2584.00	2907.00
C24:1-OH Sulfatide	1.00	1370.25
C75	3178.33	1.00
Caffeoquinone	1.00	1.00
Caffeoylputrescine	4255.33	1.00
Calomelanol D	1.00	1.00
Calycanthidine	1936.33	1.00
Camoensine	1.00	4141.50
Candletoxin A	1.00	1.00
Canthiumine	6209.67	1431.00
Caohuoside D	10558.33	11445.25
Capillarin	6330.00	15957.25
Capsianoside I	1.00	1707.00
Captafol	1.00	1.00
Carbadox	1.00	1.00
Carbidopa	3928.67	1.00
Carbidopa -3.8990002	1.00	1.00
Carboxyibuprofen	1.00	1.00
Carboxyprimaquine	1.00	7039.00
Carboxyprimaquine -1.9376665	1.00	4054.50
Carboxyprimaquine -2.131	1.00	1.00
Carboxytolbutamide	12153.00	1.00
Carteolol	1.00	1.00
Carumonam	1.00	1583.00
Caryoptin	1.00	1.00
Catechin 3^-O-gallate	1.00	1.00
Catechin 7-O-alpha-L-rhamnopyranoside	1.00	1.00
CAY10401	1.00	1.00
CAY10408	1.00	6578.50
CAY10464	1.00	1.00
CAY10487	1.00	2900.75
CAY10510	1.00	1.00
CAY10561	1.00	1.00
CAY10593	1.00	1.00
CAY10594	27655.33	48269.75
CAY10594 -1.7255001	1.00	1.00
CAY10622	1.00	1.00
CAY10622 -2.1100001	1.00	1.00
CAY10625	6261.00	1.00
CAY10625 -1.0355	2082.33	1.00
CCT018159	1.00	1.00
CCT018159 -0.774	1.00	1.00
Ceanothine B	1.00	3248.50
Ceanothine B -1.525	1.00	1.00
Ceanothine B -1.8405001	1.00	1.00
Cefacetrile	1.00	1.00
Cefacetrile -1.6444999	1.00	3520.75
Cefotaxime	1.00	1605.25
celecoxib carboxylic	1.00	1660.25
Cephalothin	1.00	19045.25
Cepharanthine	1.00	1.00
Cerasin	1.00	1.00
Cetiedil	1.00	2613.50
CGH 2466	1.00	1258.25
CGP 28014	1.00	1.00
Chaksine	2828.00	1255.25
Chaksine -1.3955	1.00	1.00
Chaksine -1.4250001	2687.33	1329.50
Chalcolactone	1.00	1.00
Chenodeoxycholic acid 3-sulfate	186666.00	418043.00
Chenodeoxycholic acid 3-sulfate -1.041	50418.33	1.00
Chenodeoxycholic acid 3-sulfate -1.1172273	1356053.00	1306083.50
Chloraminophenamide	2789.67	1.00
Chloramphenicol	8366.33	1.00
Chlorate	1.00	1.00
Chlorbromuron	2413.67	1.00
Chlorfenson	1.00	1.00
Chlorfensulphide	3556.00	1.00
Chlorfenvinphos	1.00	23706.25
Chlorfenvinphos -1.507	1.00	6399.50
Chlorhexidine	1.00	1.00
Chlorobenside	5260.33	13990.50
Chlorobenside -2.2506666	6542.33	18250.25
Chlorobenside -2.321	1.00	21665.00
Chlorobenside -2.3636665	1.00	5917.50
Chlorophyll b	2061.33	1.00
Chlorotoluron	1.00	1.00
Chlorotoluron -2.191	1.00	1.00
Chlorphenesin	41471.67	10782.00
Chlorphenesin -2.7385454	37448.00	11606.50
Chlorquinaldol	5536.33	1.00
cholesterol sulfate	141038.00	110658.00
cholesteryl beta-D-glucoside	1.00	2035.25
Cholic Acid Methyl Ester	2614.33	1886.00
Chromotropic acid	1697.33	1.00
Chrysin Dimethyl Ether	1.00	1.00
Chryso-obtusin glucoside	1.00	1.00
CI Acid Orange 3	1.00	1.00
CI Acid Orange 3 -0.829	1.00	1.00
Cinegalline	2597.33	1.00
Cinnamodial	1.00	10151.75
Cinnavalininate	1.00	11207.75
Cinnavalininate -1.067	14760.00	8821.25
Cinnavalininate -1.0693332	1.00	1.00
Cinnavalininate -1.111	1.00	1.00
Cinncassiol C3	1.00	4420.25
Ciprofibrate	3251.33	1.00
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene	2782.00	3105.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene	7650.33	3206.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene -1.531	1910.67	1.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene -2.785333...	2595.67	1.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene -2.832749...	1.00	6793.75
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene -2.914583...	6023.67	12594.75
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	2719.67	1.00
cis-2-Carboxycyclohexyl-acetic acid	1.00	1.00
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	1.00	30075.50
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol -1.855	1.00	3297.25
cis-Chlorobenzene dihydrodiol	1.00	1.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate	1.00	1.00
cis-?-octenoic acid	1.00	1.00
Cisplatin	2818.00	1.00
cis-Tephrostachin	1.00	1358.00
Clavam-2-carboxylate	1.00	1.00
Clobetasol propionate	1.00	1.00
clocortolone pivalate	1.00	1.00
Clofazimine	1.00	1.00
Clofoctol	1.00	1.00
Clonidine Metabolite VI	1.00	6458.25
Clorgyline	1.00	1351.00
Clozapine	1.00	1.00
Coformycin	3449.00	1.00
Colchicine	1.00	1452.50
Collettiside I	1.00	3010.25
Collettiside I -2.412	1.00	1553.00
(+)-Columbianetin	1.00	10334.00
Convicine	1.00	1.00
Convoline	1.00	1.00
Coprine	1.00	1.00
Corey PG-Lactone Diol	1.00	2552.00
Coronene	1.00	1.00
Cortancyl	1.00	2247.25
Cortancyl -1.0347143	1.00	1.00
Cortisone acetate	1.00	1.00
Creatinol-O-Phosphate	1.00	1.00
Crenatine A	1.00	5235.50
Crenatine A -0.89433336	1.00	1.00
Crenatine A -1.007	1.00	1981.75
Crimidine	1.00	1.00
Crimidine -1.579	1.00	1786.75
Crossbyanol A di-acetate	1.00	1827.00
Cucumopine	1.00	1.00
Cucurbitacin D	1.00	1.00
Cucurbitacin F	1.00	1.00
Cucurbitacin F -1.5815	1.00	1.00
Cucurbitacin S	1.00	1.00
Cybutryne	1.00	1.00
Cyclacillin	1.00	1320.50
cyclandelate	1.00	1.00
Cycleanine	1.00	1816.25
Cyclic 2,3-bisphospho-D-glycerate	3799.00	1.00
Cyclocreatine	17521.67	77476.00
Cyclohexylsulfamate	6531.67	2456.25
Cyclokievitone	1.00	1.00
Cyclopentanone	1.00	1.00
Cyhalothrin	1.00	1.00
Cymoxanil	22601.00	25918.00
Cys Cys Cys	1.00	1.00
Cys Gly Asn	1.00	1.00
Cys Lys His	1.00	1.00
Cys Ser Ser	1.00	3898.25
Cysteine-S-sulfate	1.00	1.00
Cys Trp Trp	1.00	1.00
Cys Tyr	11116.33	1.00
Cytochalasin E	4714.67	5945.25
Cytotrienin A	1.00	2515.00
D1927	1.00	1.00
D-Apiitol	1.00	2373.75
DAPT	1.00	1.00
D-Biotin	2007.33	3459.75
DCI	1.00	1.00
Deacetoxy(7)-7-Oxokhivorinic Acid	1.00	1254.25
Debromoaplysiatoxin	101035.67	21149.00
Debromoaplysiatoxin -3.5830002	1.00	1.00
Debromoaplysiatoxin -3.611	1.00	1.00
Debromoaplysiatoxin -3.648	1.00	1.00
Debromohymenialdisine	1.00	2369.50
Decanoyl m-Nitroaniline	1.00	1.00
Decarbamoylsaxitoxin	1.00	1.00
Decoside	1.00	1768.25
Decoside -3.231	1.00	1288.25
Deethylatrazine	1.00	1595.50
Dehydroisoandrosterone 3-glucuronide	3941.67	1.00
Dehydropachyrrhizone	1.00	1.00
Deidaclin	4527.00	11431.50
Deisopropyldeethylatrazine	1.00	1.00
Delavirdine	1.00	1292.75
Delcosine	1.00	1.00
Delphinidin 3-O-(2^^-O-galloyl-6^^-O-acetyl-beta-galactopyra...	1.00	1.00
(-)-Deltoin	1.00	1.00
Deoxygomisin A	1.00	1.00
Deoxythymidine triphosphate (dTTP)	1.00	1914.25
Deoxythymidine triphosphate (dTTP) -1.425	1.00	12485.50
Deschlorobenzoyl Indomethacin glucuronide	1.00	1.00
Desflurane	1.00	1.00
deslanoside	1.00	6843.00
Desmethyldescarbamoylnovobiocin	1.00	1590.00
Desmethyldescarbamoylnovobiocin -1.462	1.00	1.00
Desmethyldeschlorobenzoyl Indomethacin	13744.67	27810.25
Desmethyl fluvoxamine	1.00	3488.25
Desmethyl fluvoxamine -2.155143	7256.67	16564.75
Desmethyl fluvoxamine -2.951	1.00	1400.50
Desmethyl fluvoxamine -3.574	1.00	1.00
Desmethylnaproxen-6-O-sulfate	1.00	2202.25
Desmethylnaproxen-6-O-sulfate -0.794	1.00	1.00
Deuteroporphyrin IX	1.00	1.00
dexbrompheniramine	5442.33	3002.75
Dextrorphan sulfate	6617.00	7271.00
Dextrorphan sulfate -0.91760004	3861.00	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride	142558.00	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride -2.779	1.00	1.00
D-Fructofuranose 1,2^:2,3^-dianhydride -3.231	21820.33	1.00
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)	6576.33	1.00
DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	2228.33	12306.75
DG(17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	18131.00	6365.50
DG(17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] -3.1875	1.00	1.00
DG(18:2(9Z,12Z)/15:0/0:0)	1.00	1.00
DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)	1.00	1.00
DG(18:3(9Z,12Z,15Z)/15:0/0:0)	10911.00	1.00
DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	31054.00	28145.75
DG(22:4(7Z,10Z,13Z,16Z)/15:0/0:0)	2648.00	5997.25
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	128617.67	115443.75
DGDG(18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	1.00	1.00
DGDG(18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) -1.085	1.00	1.00
Diallyl Trisulfide	1.00	1.00
Diallyl Trisulfide -1.4774001	1.00	3708.25
Diamidafos	1.00	1.00
Dianoside A	1.00	1.00
Diazinon	1.00	1.00
Dibutyl succinate	4119.33	12131.00
Dibutyl succinate -1.5015	1.00	3078.25
Dibutyl succinate -1.5624617	6531.33	8609.00
Dicamba	1.00	1.00
Dichlormid	6782.67	2596.75
Dichlorophene	1.00	3267.00
Dichlorophene -1.8540001	1.00	3568.50
Diclofop methyl	1.00	1.00
Diclofop methyl -0.774	1.00	1838.00
dicloxacillin	1.00	1.00
Dicyclohexyl phthalate	1.00	1.00
Didesmethylimipramine	1.00	1.00
Didymocalyxin B	1.00	1442.75
Diethyl Oxalpropionate	1.00	22348.50
Diethyl Oxalpropionate -1.583	1.00	1.00
Diethyl Oxalpropionate -2.398	1.00	133321.25
Diethyl Oxalpropionate -2.7005	1.00	3420.00
Diethylpropion(metabolite VIII-glucuronide)	1.00	1.00
Diethylstilbestrol	1.00	1.00
Difenoxuron	8269.67	6789.00
Diflufenican	1.00	1.00
Diflufenican -0.98749995	1.00	1.00
Diflunisal phenolic glucuronide	1.00	1.00
Dihydroartemisinin	1.00	1.00
Dihydroartemisinin -1.3089999	1.00	1748.50
Dihydroartemisinin -2.682	1.00	1.00
Dihydrocelastrol	1.00	1.00
Dihydrocelastryl Diacetate	1.00	1714.00
Dihydrocodeine-6-glucuronide	1.00	1.00
Dihydrogedunin	1.00	1.00
Dihydroisolysergic acid II	5802.67	5499.50
Dihydroisolysergic acid II -1.494	1.00	1.00
Dihydroisolysergic acid II -1.996	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester -1.28	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester -1.441	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester -1.7295	1.00	5585.25
Dihydromacarpine	2865.67	1.00
Dihydropteroic acid	1.00	1.00
Dihydroxycarteolol M2	3345.67	5596.50
Dihydroxycarteolol M2 -2.7732854	1.00	1.00
Dihydroxycarteolol M2 -2.7884998	1.00	1.00
Dihydroxycarteolol M2 -2.9599998	1.00	5915.25
Dihydroxycarteolol M2 -3.3618	1.00	1.00
Dihydroxycarteolol M2 -3.5038238	4506.00	8105.50
Dikegulac	1.00	1.00
Dimethoxane	1.00	16289.00
Dimethoxane -1.382	1.00	3920.50
Dimethyldisulfide	1.00	1.00
Dimethylenetriurea	1.00	1.00
Dimethyl suberate	4577.33	30063.75
Dimethyl sulfate	141461.67	1.00
Dimethyl sulfate -1.1625	18272.00	1.00
Dimethyl sulfate -2.08	1.00	1.00
Dimethyl sulfone	280906.33	132682.75
Dinoflagellate luciferin	20501.00	21075.00
Dinoflagellate luciferin -1.104	1.00	2103.50
Dinoflagellate luciferin -2.40025	19313.00	3006.50
Dinoflagellate luciferin -2.4478002	1.00	31243.50
Dinoterb	76759.33	374555.75
Dinoterb -2.1529999	1.00	1.00
Di-n-pentyl phthalate	1.00	4104.00
Dioxacarb	1.00	1.00
Dioxacarb -1.326	1.00	7515.50
Diphenylcarbazide	1.00	22254.50
Diterpenoid EF-D	1.00	1.00
Diterpenoid EF-D -1.398	1.00	1.00
Divostroside	1.00	1.00
DL-8-hydroxy stearic acid	82839.33	57739.50
DL-Glycerol 1-phosphate	1.00	3880.50
D-Lombricine	1.00	1349.25
D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-d...	5112.00	4131.25
D-Man-alpha-(1-3)-D-Glc-beta-(1-4)-D-Glc-alpha-1-diphospho-d...	3825.00	1353.00
D-myo-Inositol-1,4,5,6-tetraphosphate	1.00	1.00
Docosanediol-1,14-disulfate	1.00	1.00
Doisynoestrol	45363.67	43515.00
Doisynoestrol -1.1116666	1.00	24443.75
Doisynoestrol -2.0982997	31130.00	43069.75
Doisynoestrol -2.398	1.00	1.00
Doisynoestrol -2.4055	47024.00	51361.50
Dolichol-20	1.00	1.00
Dothistromin	2864.00	1.00
D-Phenyllactic acid	1.00	8873.25
DPPP	1.00	1.00
dTDP-D-oliose	1724.67	1.00
D-Threitol	127837.67	34144.25
D-Urobilinogen	35521.00	78084.75
D-Urobilinogen -2.1362858	1.00	1.00
Dyphylline	1.00	1.00
Dyphylline -3.3130002	1.00	1.00
(E)-2-Butenyl-4-methyl-threonine	5831.00	9624.00
(E)-2-(Methoxycarbonylmethyl)butenedioate	9535.33	2496.25
(E)-2-(Methoxycarbonylmethyl)butenedioate -2.877	1.00	1.00
E3040 glucuronide	1.00	1.00
E-64c	1.00	3692.50
ecdysone palmitate	3854.33	1.00
Echitovenine	3287.67	1.00
Elatin(flavonoid)	1.00	1443.00
Elatin(flavonoid) -1.09075	1.00	3538.25
Embigenin 2^^-(2^^^-acetylrhamnoside)	1.00	1.00
Enalkiren	1.00	1.00
Endothal	21685.00	13693.50
Endothal -1.089	1.00	1.00
Endothal -1.568	1.00	1.00
Endothal -2.9179997	1.00	2318.50
Endothal -3.2610002	1.00	6134.75
Enicoflavine	1.00	1459.50
ent-6beta-Hydroxybuphanisine	1863.67	1.00
ent-8-epi-15-D2c-IsoP	1.00	1.00
ent-8-epi-15-D2c-IsoP -1.052	1.00	1.00
Ent-afzelechin-7-O-beta-D-glucopyranoside	1.00	1.00
Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside)	1.00	1.00
Epicatechin 5,7,3^-trimethyl ether	1.00	13950.50
Epicatechin 5,7,3^-trimethyl ether -1.369	1.00	1.00
Epicatechin 5,7,3^-trimethyl ether -2.3925717	1.00	11106.75
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate	1.00	4131.00
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate -2.798	1.00	1.00
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate -2.8212	1.00	3073.75
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate -2.9115	1.00	1.00
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate -2.9169998	1.00	3107.75
Epigallocatechin	398774.33	15200.50
Epimedoside	1.00	1.00
Epimedoside A	1.00	1.00
Epimedoside A -3.2555	1.00	1.00
epi-Tulipinolide diepoxide	1.00	1635.25
epothilone D	3757.67	2243.75
Epoxybergamottin	1.00	1.00
Equilin sulfate	3500.00	1.00
Ergoline-8-methanol, 10-methoxy-, (8b)-	1.00	1.00
Erioflorin methacrylate	1.00	1.00
Erosone	1.00	1.00
Erosone -1.304	1.00	1.00
Erosone -1.542125	1.00	1.00
Erosone -1.611	1.00	1.00
Erosone -6.057	1.00	1.00
Eruberin A	1.00	1.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	16233.33	3691.75
Ethacrynic acid M1	5911.67	1.00
Ethadione	1.00	1.00
Ethionamide	111529.00	1.00
Ethionine	1.00	1.00
Ethionine -2.1085	6838.33	1.00
Ethofumesate	1.00	1.00
Ethopropazine	29837.00	1.00
Ethoxysulfuron	1.00	1.00
Ethyl methanesulfonate	1.00	1.00
Ethyl Oxalacetate	1.00	1.00
Ethyl syringate	1.00	1.00
Euchrenone b3	1.00	3494.50
(+)-Eudesmin	23692.67	25774.50
(+)-Eudesmin -0.9653334	1.00	2276.50
(+)-Eudesmin -0.993	1.00	4601.75
(+)-Eudesmin -1.0606667	1.00	1571.25
(+)-Eudesmin -1.0937369	23669.00	17269.00
Eupatundin	1.00	1.00
Euphornin	1.00	6215.25
Euphornin -1.4065	1.00	1484.50
Euxanthone	1.00	8574.50
EX-527	1.00	1.00
F4-Neuroprostane (7-series)	1.00	1.00
Fampridine	4520.67	2989.25
Faropenem	1.00	1.00
Faropenem -2.43	1.00	1.00
Felbamate monocarboxylate	1.00	2245.25
Ferimzone	1.00	1.00
Fetidine	1.00	1.00
Filicin	1.00	1874.75
Finaconitine	1.00	1.00
FK463	1.00	1547.25
Flaviolin	1.00	2458.25
Flemichapparin	1.00	1.00
Fluacrypyrim	1.00	1.00
Fludrocortisone acetate	2074.00	4900.00
flumethasone pivalate	1.00	1.00
flumethasone pivalate -2.0745	1.00	1.00
Flunarizine	1.00	1.00
Fluorofelbamate	1.00	1.00
Fluotrimazole	1.00	1.00
Fluphenazine (further oxidation of piperazine ring)	1.00	1907.50
Fluphenazine (further oxidation of piperazine ring) -2.958	1.00	1530.50
Flupropanate	3398.67	1.00
Flurogestone acetate	2166.00	2457.75
Fluticasone 17-carboxylic acid	1.00	1.00
Flutolanil	1.00	1.00
Flutrimazole	1.00	1.00
Fluvoxamine	50391.00	183981.50
Fluvoxamine -2.0961537	174789.67	327705.50
Fluvoxamine acid	1.00	1.00
Formestane-4-O-glucuronide	1.00	9389.50
Formimino-L-glutamic acid	1.00	10646.75
Formimino-L-glutamic acid -1.8066667	5959.67	15433.00
Formimino-L-glutamic acid -2.1475	1.00	34787.50
Formimino-L-glutamic acid -2.313	1.00	22330.00
Fosinoprilat	1.00	1276.00
Furafylline	1.00	1.00
Furafylline -6.058	1.00	1.00
Furamizole	2620.67	1.00
Furamizole -2.31	1.00	1.00
Furfural diethyl acetal	1.00	7369.00
Furfural diethyl acetal -1.7055	1.00	9687.00
Furfural diethyl acetal -2.4085002	1.00	12828.75
Furfural diethyl acetal -2.93	1.00	1278.25
Furmecyclox	1.00	1.00
Furocaespitane	1.00	1.00
Furosemide	1.00	1.00
Fusarenone X	1.00	1.00
Fusicoccin H	1.00	1.00
Fusicoccin H -2.337	1.00	1.00
(-)-Fusicoplagin A	1.00	2492.00
(-)-Fusicoplagin A -1.483	1.00	1970.75
Futalosine	1.00	1.00
Gabaculine	1.00	9015.50
Gal?1-3GlcNAc?-Sp	1.00	1.00
Galactinol dihydrate	1.00	1.00
Galactinol dihydrate -5.777	7630.00	1.00
Galactitol 1-phosphate	1.00	2199.25
Gallic acid	3273.00	1.00
Ganglioside GD3 (d18:1/12:0)	1.00	1.00
Ganglioside GM2 (d18:1/14:0)	1697.67	1.00
Gardenoside	18356.67	8142.00
Gardoside	1.00	1.00
Gemfibrozil, metabolite II	1.00	5128.75
geodisterol-O-sulfite	1.00	2175.25
gibberellin A2 O-beta-D-glucoside	1.00	1.00
Gibberellin A8	1.00	1.00
Gingerdione	1.00	2827.00
Ginkgolide C	1.00	1.00
Glabrescione B	1.00	1.00
Glaucarubin	1.00	1.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	2652.00	1.00
Gliotoxin	6007.00	2359.50
Gln Gln Trp	2049.00	1.00
Gln Glu Ile	4464.00	2080.75
Gln Glu Ile -5.707	1.00	1.00
Gln Glu Phe	1.00	2847.50
Gln Phe Leu	1.00	9921.00
Gln Phe Leu -1.6831665	2108.67	1.00
Gln Pro Trp	1.00	1341.00
Gln Thr Glu	1.00	1.00
Gln Thr Ile	1.00	1620.25
Gln Trp Lys	1.00	1.00
Glu Arg Glu	9741.00	2583.00
Glu Asp Trp	3665.33	2168.50
Glucoarabin	11287.00	1.00
Glucocheirolin	1.00	3411.00
Glucocheirolin -2.117	1.00	1396.00
Glucoconringiin	1.00	1.00
Glucoheptonic acid	1.00	1745.50
Glucohirsutin	1.00	1.00
Gluconapoleiferin	1.00	2382.25
Gluconapoleiferin -3.586	1.00	1361.25
Gluconolactone	1.00	1.00
Glucosisymbrin	1.00	1.00
?-Glu-Cys	1.00	5273.50
Glu Gln	1.00	1.00
Glu Gln Gln	1.00	1.00
Glu Gln Ile	1.00	1.00
Glu Glu Arg	1.00	1.00
Glu Leu Trp	1.00	1.00
Glu-P-2	1.00	4016.75
Glu-P-2 -2.215	1.00	2040.00
Glu Trp Trp	1.00	1.00
Glyburide	1.00	1.00
Glycyl-L-leucine	1.00	1.00
Glycyl-L-leucine -6.7135	1.00	1.00
Gly Gln Glu	1.00	1.00
Gly Leu Leu	1.00	1.00
Gly-Ser-OH	6012.00	2153.00
Gly Tyr Asn	1.00	1.00
Gnididin	1.00	1467.75
Gnididin -2.9125001	1.00	2095.50
Goitrin	1.00	1.00
GPInsP2[4^,5^](17:0/20:4(5Z,8Z,11Z,14Z))	1.00	1.00
Gracillin	1.00	1.00
Granisetron metabolite 3	1.00	1.00
Granisetron metabolite 4	2280.00	1.00
Granisetron metabolite 4 glucuronide	1.00	3104.75
Grayanotoxin I	1.00	2300.50
Grayanotoxin I -1.328	1.00	1.00
Grepafloxacin glucuronide	1.00	1.00
Grepafloxacin glucuronide -3.035	4122.00	1.00
Guanosine diphosphate adenosine	1.00	1.00
GW 842166X	12193.67	1.00
GYKI 52895	1.00	1564.75
G��83	1.00	1.00
H 182/26	2370.67	5348.75
Haginin A	1.00	1593.50
Haginin A -1.201	1.00	1.00
halazone	1.00	1.00
Hallactone A	1.00	1539.50
Hallactone A -1.263	1.00	1.00
Harderoporphyrinogen	14088.33	1793.75
Harderoporphyrinogen -1.4571667	1.00	7568.50
HC Yellow No. 4	13678.33	7486.50
HC Yellow No. 4 -1.11225	1.00	3040.75
Hematoporphyrin	1.00	1.00
Hemibrevetoxin B	1.00	1312.25
Heteroflavanone A	1.00	1.00
Heudelottin C	1.00	1.00
Hexacosanedioic acid	1.00	1.00
?-Hexalactone	1.00	1.00
Hexanoylglycine	90653.00	1.00
Hildgardtene	3726.67	12752.25
Hippeastrine	1.00	1.00
Hippuric acid	1.00	1.00
Hippurin-1	1.00	2899.00
Hippurin-1 -1.72	1.00	1.00
His Arg Arg	1888.67	1.00
His Cys Gln	12182.67	1.00
His Glu Asp	1.00	1.00
His-HoPhe-OH	1.00	1.00
His Lys His	2381.00	1.00
His Lys Met	1.00	7592.00
His Met Phe	17669.33	13213.75
His Pro	1.00	1.00
His Trp Thr	1.00	1.00
HMB-Val-Ser-Leu-VE	1.00	1.00
Homaline	1.00	1.00
Homaline -5.9490004	1.00	1.00
Homatropine	6238.00	1987.25
Homatropine -1.339	1.00	1.00
Homobaldrinal	1.00	6934.50
Homocysteine-penicillamine disulfide	4542.33	1.00
Homocysteinesulfinic acid	71913.67	1.00
Homocystine	3686.67	1.00
Huperzine B	4662.00	1.00
Hyaluronic acid	1.00	1.00
Hydrocortisone butyrate propionate	22273.33	15879.25
Hydrocortisone butyrate propionate -1.259	4591.00	1.00
Hydroxyibuprofen	1.00	3103.00
Hydroxyibuprofen -1.5834999	1.00	1534.50
Hydroxytinidazole glucuronide	2636.33	3575.50
Hydroxytinidazole glucuronide -1.003	1.00	1.00
Hydroxytinidazole glucuronide -2.764	1.00	1.00
Hydroxyvernolide	1.00	1.00
Hypercalin B	1.00	1555.50
Hypotaurocyamine	1.00	6140.50
Hypoxanthine	3779.67	1.00
Idebenone Metabolite (Benzenedecanoic acid, 2-hydroxy-3,4-di...	1.00	1.00
Idebenone Metabolite (?-D-Glucopyranosiduronic acid, 4-hydro...	1.00	1.00
Idebenone Metabolite (QS-10)	1.00	1.00
Iduronic acid	1.00	1.00
Ile-HoPhe-OH	1.00	1.00
Ile-lle-OH	1.00	3320.75
Ile Pro Gln	1.00	2137.75
Ile Trp Met	1.00	1.00
Ile Val Trp	1.00	1.00
(-)-Illudin M	1.00	1.00
Imidazoleacetic acid	9032.33	44872.25
Imidazolone	1.00	1.00
Inabenfide	1.00	4743.25
Indole-3-carboxaldehyde	12848.33	19330.00
Indole-3-carboxaldehyde -1.6016666	3559.67	1.00
Indole-3-carboxaldehyde -2.083	1.00	1.00
Indole-3-carboxaldehyde -4.4820004	1.00	1.00
Ingenol 3,20-dibenzoate	2913.00	3745.50
Ingenol 3,20-dibenzoate -3.257	1.00	1.00
Inosine	5684.67	4443.25
Inosine -2.816	1.00	1.00
Inosine -3.05	1.00	1.00
Inosine-5^-carboxylate	1.00	1.00
Inulicin	1.00	1.00
Inuline	1.00	1.00
Inumakilactone A glycoside	3910.67	1.00
Inumakilactone A glycoside -1.053	1.00	15335.00
Inumakilactone A glycoside -1.1206429	26242.00	28218.25
Inumakilactone A glycoside -1.138	5350.00	1.00
Inumakilactone A glycoside -1.144	1.00	1.00
Ipecoside	1.00	1.00
iPF2?-IV	2211.67	1.00
Iprobenfos	1.00	2128.50
Iprodione	1.00	1.00
Iprovalicarb	1.00	1.00
Irinotecan	1.00	1.00
Isatin	5983.67	1.00
Isocaespitol	1.00	1.00
Isocaespitol -1.426	1.00	1.00
Isochorismate	1.00	1.00
Isodalbergin	1.00	1.00
Isodalbergin -1.199	1.00	1.00
Isoferulic acid	1.00	1.00
Isoglabrachromene	1.00	1.00
Isoglycyrol	1.00	1.00
Isoguanosine	14156.00	13512.25
Isoguanosine -2.4029999	1.00	1.00
Isopropenylacetic acid	1.00	1.00
Isoprothiolane	1.00	1.00
Isorhamnetin 3-gentiotrioside	1.00	1574.25
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedic...	1.00	1.00
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedic...	1.00	1409.50
Isradipine Metabolite (3,5-Pyridinedicarboxylic acid, 4-(2,1...	14482.33	1.00
I-Urobilin	1.00	1411.75
Jamaicamide C	1.00	1.00
JP104	1.00	1.00
JWH 018 6-methoxyindole analog	1.00	2185.50
JWH 200	1.00	1.00
Kaempferol 3-(2^^-(E)-p-coumaroyl-6^^-acetylglucoside)	1.00	2067.00
Kalbreclasine	1.00	1.00
Kalbreclasine -1.498	2315.00	1.00
Kanokoside C	2749.00	1.00
Kanokoside C -1.0735	1.00	2405.25
(-)-Kanshone A	1.00	1.00
KAPA	1.00	1.00
Karanjachromene	1.00	1.00
Karwinskione	1.00	6494.25
Khellin	1.00	1.00
Kni 102	20398.00	2829.75
Kni 102 -1.4572856	1.00	13676.25
Kreysigine	1.00	1.00
Kurilensoside J	1.00	1.00
Kurilensoside J -1.8994999	1.00	1.00
Kurilensoside J -2.531	1.00	1.00
Kurilensoside J -3.255	1.00	1.00
Kurilensoside J -3.256	1.00	1.00
L-365260	1.00	1.00
L-365260 -0.98875004	1.00	1.00
L-365260 -1.024	1.00	1.00
L-4-Hydroxy-3-methoxy-a-methylphenylalanine	1.00	1.00
Lactone of PGF-MUM	1.00	1.00
L-Alanine, N-propyl-	1.00	1.00
L-alpha-Aspartyl-L-hydroxyproline	1844.67	10034.75
L-alpha-glutamyl-L-hydroxyproline	12954.33	3757.00
L-alpha-glutamyl-L-hydroxyproline -6.05	1.00	1.00
lambda Isostearic acid	9682.33	6002.75
lambda Isostearic acid -1.111125	2497.33	1.00
Lamioside	1.00	1.00
Lamioside -0.912	1.00	1.00
Lanceotoxin A	1.00	3299.00
Lanceotoxin A -1.71	1.00	6124.25
Lanceotoxin B	1.00	9022.00
Lanceotoxin B -2.429	1.00	4077.75
Lanceotoxin B -2.6065001	5364.67	1.00
Lanceotoxin B -2.924	1.00	1768.50
Landomycin D	1.00	1.00
Lankacidin C	1.00	1.00
Lathyrine	1.00	3052.25
Lathyrine -5.696	1998.33	1.00
Laurencione diacetate	1.00	17205.75
Laurencione diacetate -1.407	1.00	1.00
Lauryl hydrogen sulfate	25206.67	50991.25
Lauryl hydrogen sulfate -1.11	1.00	1.00
Lauryl hydrogen sulfate -2.102	1.00	1.00
Lauryl hydrogen sulfate -2.4088	1.00	6640.75
L-beta-aspartyl-L-alanine	25723.33	125144.00
L-beta-aspartyl-L-alanine -2.2725	13254.33	52469.75
L-beta-aspartyl-L-alanine -2.31	1.00	1.00
LDS-751	1.00	1.00
Leu Ala	1.00	1.00
Leucyl-leucine	1.00	1.00
Leucyl-leucine -5.76	1.00	1.00
Leukotriene E4 methyl ester	1771.33	1.00
Leukotriene F4	1.00	16283.50
Leukotriene F4 -1.583	1.00	1.00
Leupeptin	1.00	1314.00
Leupeptin -1.479	2494.67	1.00
Leu-Phe-OH	1.00	1.00
Leu Tyr Trp	11620.67	9786.25
Levoamine (Chloramphenicol D base)	1.00	1.00
LFM-A13	1.00	1.00
L-glycyl-L-hydroxyproline	6309.33	10220.50
L-Homocysteine sulfonic acid	1777.67	1.00
L-Homoserine lactone	29897.00	6454.00
L-Homoserine lactone -5.675	1.00	1.00
L-Homotyrosine	1.00	1.00
L-Iditol	1.00	1.00
Limonoate	1.00	1.00
Linalyl diphosphate	1.00	1.00
Linderalactone	1.00	1.00
Lipoxin C4	1.00	1.00
Lipoxin E4	1.00	6890.50
Lipoxin E4 -2.373	2781.67	1.00
Liquiritigenin	8992.67	35966.25
Lisuride	1.00	1.00
Lisuride -0.8995	1.00	2722.00
lithocholic acid sulfate	53188.00	76477.50
lithocholic acid sulfate -1.1495	1.00	1325.25
lithocholic acid sulfate -1.176	1.00	1406.25
lithocholic acid sulfate -1.3424	1.00	1.00
L-Lyxonate	1.00	2697.25
L-Mimosine	1.00	1721.25
L-Olivosyl-oleandolide	1.00	1.00
L-Olivosyl-oleandolide -1.337	1.00	1.00
Lophotoxin	1.00	1.00
Loroxanthin ester/ Loroxanthin dodecenoate	2880.67	1.00
L-prolyl-L-glycine	1.00	1.00
L-threo-3-Methylmalate	4310.67	1.00
Luliconazole	1.00	1.00
Lunarine	1.00	1278.50
L-Urobilin	1.00	31822.75
L-Urobilin -1.5023334	171589.67	18355.75
L-Urobilin -1.569	1.00	1.00
L-Urobilin -5.948636	1.00	4521.00
L-Urobilinogen	41800.33	26186.00
L-Urobilinogen -2.1114998	1.00	1.00
Lusitanicoside	1.00	1.00
Luteolin 5,3^-dimethyl ether	1.00	1.00
Luteolin 5,3^-dimethyl ether -2.235	1.00	1.00
LY364947	1.00	1.00
Lys Arg Arg	5336.67	6240.50
Lys His Thr	25207.67	1.00
Lys Lys Trp	4601.33	1.00
Lys Lys Trp -1.3388147	20318.33	16070.25
Lys Phe Gln	5366.33	1.00
Lys Thr His	1.00	1.00
Machaerol C	1.00	1.00
Maculosine	1.00	2865.25
Madecassic Acid	1.00	1.00
Magnoshinin	16146.33	11172.25
Mahuannin D	1.00	1.00
Makisterone A	2039.33	4136.75
Makisterone A -1.456	1682.33	1.00
Maleic hydrazide	1.00	29836.25
Mallotophenone	1.00	1685.50
Malvidin 3-caffeylrutinoside-5-glucoside	1.00	1.00
Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-...	1.00	1.00
Malyngamide T	14971.67	15901.00
m-Aminophenol	1.00	1.00
m-Aminophenol -3.897	1.00	1.00
Mannosyl-1beta-phosphomycoketide C34	1797.33	1.00
Maximaisoflavone H	1.00	1.00
Mayolene-18	1.00	1.00
MC-5127	3619.00	1.00
m-Chlorophenylbiguanide	4862.33	18547.75
Mecarbinzid	6501.33	1.00
Mecarbinzid -1.2121668	1.00	1929.00
Mefloquine	1.00	2040.50
MeIQ	1.00	1.00
Melampodin A	1.00	2761.00
Melampodin A -1.45	1.00	1706.75
Melezitose	1.00	1.00
Melezitose -6.32	1.00	1.00
(-)-menthyl beta-D-glucoside	1.00	3833.25
Mephenesin	1.00	100897.00
Mephenesin -1.5735	1.00	1.00
Mequitazine	9105.33	21722.00
Mequitazine -3.077875	3694.00	5692.75
Mequitazine -3.583143	3826.00	16413.00
Mequitazine -3.7196665	1.00	6930.50
Merphalan	4708.33	1.00
Mesobilirubinogen	71419.00	71270.00
Mesoporphyrin IX	1.00	8519.75
meso-Tartaric acid	23310.33	18590.25
Metalaxyl-M	8349.00	13265.00
Metalaxyl-M -0.98	1.00	1.00
Met Asn His	23255.67	1.00
Met-Asn-OH	1.00	1.00
Metazachlor	1.00	1453.00
Met Cys Asn	1.00	1.00
Met-Gly-OH	4607.67	1.00
Methanesulfonic acid	6430.33	1.00
?methasone valerate	1.00	1.00
Methasulfocarb	6440.67	1.00
Methazolamide	1.00	1.00
Methazole	1.00	1.00
Methdilazine	1.00	1.00
Methenolone	7060.33	1.00
Met His Met	1.00	1.00
Met His Met -5.555	1.00	1.00
Methitural	21614.33	1.00
Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-to...	1.00	1.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	2154.00	7134.00
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen...	1.00	1.00
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen...	1.00	1.00
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen...	1.00	1.00
Methyl acetate	146141.00	1.00
Methyl acetate -1.895	1.00	1.00
Methyl Gamboginate	1.00	1.00
Methyl Parathione	1.00	1.00
Methylprednisolone succinate	1.00	1.00
Methylsuccinic acid	33116.33	39519.50
Met-Ile-OH	1.00	1.00
Met Ser Met	1.00	1.00
Met Trp	1.00	3372.25
Metyrapol	1.00	1.00
MG(0:0/18:0/0:0)	97720.67	83166.25
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)	4418.00	1.00
MG(0:0/20:3(8Z,11Z,14Z)/0:0)	1.00	1937.25
MG(0:0/20:3(8Z,11Z,14Z)/0:0) -1.17	1.00	2028.75
MG(16:0/0:0/0:0)[rac]	1.00	2082.50
MG(16:1(9Z)/0:0/0:0)	1.00	1924.25
MGDG(18:1(9Z)/18:1(9Z))	1.00	1.00
Miconazole	31261.00	5028.25
Microlenin	9374.00	14334.50
Microlenin -1.114389	59758.00	53533.00
MID1766:5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R)-3,4,5-tr...	1.00	6971.75
MID41953:(6RS)-22-hydroxy-23,24,25,26,27-pentanorvitamin D3 ...	34563.67	33758.25
MID42017:26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23...	1.00	1.00
MID42019:26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24...	7096.00	1.00
MID42085:(6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-...	1.00	1.00
MID42131:(23S,25R)-1?,25-dihydroxyvitamin D3 26,23-lactol / ...	1.00	1.00
MID42321:1?-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-penta...	1.00	3124.50
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,2...	1.00	1.00
MID42439:1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-2...	1.00	1.00
MID42477:1?,25-dihydroxy-2?-(3-hydroxypropoxy)-19-norvitamin...	1.00	5451.25
MID42477:1?,25-dihydroxy-2?-(3-hydroxypropoxy)-19-norvitamin...	1.00	1.00
MID42519:1?-hydroxy-18-(4-hydroxy-4-methyl-2-pentynyloxy)-23...	1.00	2881.75
MID73229:(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahyd...	1.00	1.00
MID84159:26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)...	1.00	1.00
Millettin	1.00	1.00
Milrinone	1.00	2217.50
Minabeolide-8	4933.00	3772.50
Minosaminomycin	3976.00	2177.50
Mirasan	1714.00	1750.75
Mirasan -1.356	1.00	1.00
Mitragynine	1.00	1.00
Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-...	2146.33	1.00
MK 0457	1.00	10519.00
MK826	1.00	1.00
Moexipril	5031.67	1.00
Mollupentin	1.00	1.00
Mometasone Metabolite (Pregna-1,4-diene-3,20-dione, 9,21-dic...	1.00	1.00
monodesmethyl chlorpheniramine	1.00	1.00
Monomethyl sulfate	1.00	1.00
Monomethyl sulfate -1.109	1.00	1.00
Mono-N-depropylprobenecid	1.00	1.00
Montanin	1.00	1897.50
MRE-269	12473.00	5695.00
MRE-269 -1.2697144	9235.00	3931.00
MRE-269 -1.315	6612.00	1.00
m-Trifluoromethylhippuric acid	12657.33	12775.50
Multifidol	5188.00	12064.00
Multifidol -1.2563999	1.00	1.00
Mycalamide A	7284.33	1.00
Myclozolin	5321.33	7965.50
Mycophenolic Acid	1.00	1.00
Myristic Acid Alkyne	1.00	1.00
Myristic Acid Alkyne -1.2988571	1.00	1617.00
Myristic Acid ethyl ester	3625.33	1610.50
N-(2,3-Dihydroxybenzoyl)-L-serine	1.00	1690.00
N2-Acetyl-L-aminoadipate	57023.33	83003.50
N2-Acetyl-L-aminoadipate -6.0755	1.00	4538.00
N2-(D-1-Carboxyethyl)-L-lysine	1.00	1.00
N2-(D-1-Carboxyethyl)-L-lysine -6.521	1.00	1.00
N2,N5-Dibenzoyl-L-ornithine	1.00	2948.75
N2,N5-Dibenzoyl-L-ornithine -2.098	1.00	2260.50
N,6-O-Disulfo-D-glucosamine	2255.00	3284.50
N,6-O-Disulfo-D-glucosamine -1.6922382	9813.33	11782.25
N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid	1.00	2210.00
Nabam	1.00	2393.00
N-Acetyl-9-O-lactoylneuraminic acid	1.00	1.00
N-Acetyl-L-2-amino-6-oxopimelate	1.00	1800.75
N-Acetyl-leu-leu-tyr-amide	5139.33	1.00
N-Acetyl-L-glutamic acid	2166.00	1.00
N-Acetylmannosamine	1.00	1.00
N-Acetylsulfadiazine	1.00	1.00
N-Acetylvanilalanine	1.00	1.00
Nafenopin glucuronide	4815.33	1.00
Nalbuphine-6-glucuronide	1.00	1.00
N(alpha)-gamma-L-Glutamylhistamine	1.00	1690.00
N(alpha)-gamma-L-Glutamylhistamine -3.49	1.00	1.00
Naphthalic anhydride	1.00	1.00
Nap-Nap-OH	1.00	1.00
NBD-FTY720 phenoxy	4788.00	3045.50
N-Benzylformamide	1.00	1.00
n-Butyl-2-cyanoacrylate	1.00	1400.50
N-Desmethyltolmetin	1.00	1804.25
N-D-Glucosylarylamine	1.00	1.00
N-Didesethylquinagolide sulfate	1.00	1.00
N-D-Ribosylpurine	8861.00	6807.25
N-D-Ribosylpurine -2.4475	24161.33	14580.75
N-D-Ribosylpurine -2.468	1.00	1403.75
N-D-Ribosylpurine -2.6238	3849.00	19138.25
N-D-Ribosylpurine -2.9313333	1.00	7045.75
N-D-Ribosylpurine -3.302	1.00	1868.00
Nebramycin factor 5^	1.00	1.00
Nefazodone	1.00	1.00
Neosakuranin	27634.00	25069.75
Neosaxitoxin	1.00	1.00
N-Feruloylglycine	2679.33	1.00
N-Hydroxy-L-phenylalanine	3400.00	1282.75
Nigakilactone M	1.00	3721.25
Nimustine	1682.00	1.00
Nimustine -5.713	1.00	1.00
Niridazole	4778.67	1.00
N-isovalerylglycine	1.00	4984.75
Nithiazide	1.00	7084.50
Nitrilotriacetic acid	1.00	1.00
Nitroprusside	3241.00	1305.50
Nitrotyrosine	1.00	1.00
Nitrotyrosine -0.7335	1.00	1756.25
Nitrotyrosine -2.313	1.00	1.00
Nitrovin	5185.67	1.00
Nitrovin -3.603	1.00	1.00
N-Methylanthranilic Acid	1.00	29845.00
N-Methylanthranilic Acid -0.859	1.00	3713.00
N-Methylanthranilic Acid -2.37	1.00	1.00
N-methylundec-10-enamide	15759.00	16556.50
N-Monodesmethyldiltiazem	1.00	1.00
N,N^-bis(2-chloroethyl)- Urea (Carmustine Metabolite)	1.00	1.00
N,N-Dihydroxy-L-tyrosine	1.00	1.00
N-Nitrosoguvacine	1.00	1.00
N-Nitrosoguvacine -2.218	1.00	1.00
N-Nitrosoproline	4226.67	18033.25
N-Nitrosoproline -1.4154999	1.00	6670.00
Nocardicin B	1.00	1.00
N,O-Didesmethylverapamil	1.00	4706.25
Nonate	24037.67	47377.00
Nonate -1.7033333	1.00	21050.00
Norbormide	1.00	1.00
Norepinephrine sulfate	1.00	1.00
N-ornithinyl-35-aminobacteriohopane-32,33,34-triol	3128.67	1298.00
NPC	9890.67	1.00
n-Propyl gallate	1.00	1.00
NS-102	1.00	1.00
(N-Sulfoindol-3-yl)methylglucosinolate	1.00	1.00
NU 7026	1.00	2685.00
Nystatin A1	1.00	1.00
O-Acetylhomoserine	18652.33	1.00
o-Benzosemiquinone	1.00	3104.25
o-Hydroxyatorvastatin (Glucoronide_2)	1.00	2432.00
Okanin	1.00	1.00
Olanzapine	18652.00	1355.00
Olanzapine -3.569	1.00	1.00
Olanzapine -3.5884998	5953.33	3192.75
Oligomycin B	1.00	1.00
omega-Carboxy-N-acetyl-LTE4	24166.00	6476.75
omega-Carboxy-N-acetyl-LTE4 -1.1268333	1.00	13330.25
Onnamide A	1.00	1.00
Ophiopogonin B	1.00	1.00
Orotidine	8551.67	9066.25
Orotidine -1.119	1.00	1.00
Orotidine -2.288	1.00	10340.50
Orthoform	1.00	1.00
Otonecine	1.00	1.00
Ouabain	1.00	1.00
Ouabain -1.9	1.00	1.00
Oxaloglutarate	1.00	1.00
Oxaloglutarate -2.0813334	1.00	1.00
Oxidized dinoflagellate luciferin	1.00	1260.25
Oxidized Photinus luciferin	1.00	1640.25
Oxmetidine	1.00	1.00
P1,P2-Bis(5^-adenosyl) triphosphate	1.00	1.00
PA(19:3(10Z,13Z,16Z)/0:0)	1.00	1.00
PA(20:1(11Z)/0:0)	1.00	1.00
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	10247.00	6027.00
Paeonilactone A	1.00	1.00
Paeonilactone A -1.278	1.00	1.00
Paeonilactone C	1.00	1.00
Paeonolide	1.00	1.00
Palisadin B	1.00	1.00
Pandaroside A	1.00	1.00
Pandaroside A -1.4645	1.00	1.00
Pantetheine	7433.67	1.00
Pantothenic Acid	131961.67	313106.25
Pantothenic Acid -2.475	1.00	1.00
Patuletin 3-rhamnoside-7-(3^^^,4^^^-diacetylrhamnoside)	3241.33	17683.75
Patulin	1.00	2076.25
Patulin -1.6636667	1.00	2486.75
p-Cresol sulfate	1.00	12378.75
p-Cresol sulfate -1.167	1.00	1.00
p-Cresol sulfate -2.4483335	1.00	1.00
PD 98059	1.00	1.00
PE(16:0/0:0)	2527.33	1.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	2890.67	1339.75
Pectenotoxin 1	1.00	1.00
pedilstatin	5246.67	7419.50
pedilstatin -0.96036357	2887.00	2960.75
Pelargonyl acetic acid	4127.67	1.00
Pendimethalin	1.00	1.00
Penicillic acid	1.00	1.00
Pentadecyl oleate	1.00	3607.50
Pentetic acid	1.00	3640.00
Perfoliatumin B	1.00	1.00
Perfoliatumin B -5.613	1.00	1.00
Perindoprilat lactam A	1.00	1.00
Perindoprilat lactam A -1.6065	1.00	1.00
Perlolyrine	1.00	1.00
Permethrin	1.00	1.00
PF-622	1.00	1.00
PG(14:0/0:0)	1.00	1.00
PG(14:0/0:0)[U]	1.00	1.00
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	2079.00	1.00
PG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	1.00	1.00
PGD2-dihydroxypropanylamine	1.00	5775.75
PGD2-dihydroxypropanylamine -1.5306667	1.00	1.00
PGD2-dihydroxypropanylamine -1.836	5630.00	1.00
PGE1-EA	1.00	1.00
PGG2	3914.67	1.00
PGI2-EA	6915.67	2436.50
PG(O-16:0/13:0)	1.00	1.00
PG(O-16:0/20:2(11Z,14Z))	1697.67	1.00
PG(O-16:0/20:2(11Z,14Z)) -1.3383572	21196.67	5069.50
PG(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	1.00
PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	1.00
PG(P-20:0/14:0)	1.00	1.00
Phe Gln Glu	2475.33	1530.50
Phe Ile	1.00	1.00
Phenisopham	1.00	1.00
Phenmedipham	1.00	2874.00
Phenyl acetate	1.00	7077.50
Phenyl acetate -0.788	1.00	1.00
Phenyl acetate -1.201	1.00	1799.25
Phenyl acetate -1.2441666	1768.33	4405.00
Phenyl beta-D-glucopyranoside	1.00	1.00
Phenylbutazone glucuronide	1.00	1.00
Phenyl glucuronide	1.00	1.00
Phenyl glucuronide -1.32875	3474.33	4110.00
Phenyl glucuronide -1.4233333	1.00	1.00
phenylglycol 3-O-sulfate	3809.33	2819.75
Phe Phe Arg	1.00	1.00
Phe Phe Ile	8080.00	1.00
Phe Tyr Ile	5139.33	15773.50
Phorate	5732.67	2484.25
Phorate -2.176	3836.67	1.00
Phorate -2.203	9719.33	1.00
Phosphatidyl glycerol	1.00	1.00
Phosphoenol-4-deoxy-3-tetrulosonate	1.00	1.00
Phosphoribosylamine	1.00	1.00
Phosphoribosylamine -1.6001999	2426.33	1465.50
Phoxim	8250.00	7884.75
Phoxim -1.0652499	1.00	1.00
Phoxim -1.1015	83731.67	59314.75
P-Hydroxydesmethylgliquidone	1.00	1.00
p-Hydroxyfelbamate	1.00	1.00
p-Hydroxyfelbamate -1.768	1.00	1.00
p-Hydroxygliquidone	1.00	1.00
p-Hydroxyphenylacetothiohydroximate	1.00	4031.25
p-Hydroxyphenylacetothiohydroximate -1.517	1.00	1.00
p-Hydroxyphenylacetothiohydroximate -4.064	1.00	3200.25
Physovenine	1.00	4129.75
phytanoyl-Coenzyme A	1.00	1.00
Phytuberin	35094.33	39958.75
Phytuberin -1.1075332	34489.00	34963.25
Phytuberin -2.395	1.00	2448.75
Phytuberin -2.4895	1.00	1.00
PI-103	1.00	1.00
PI(13:0/21:0)	1.00	3060.00
PI(13:0/21:0) -1.525	1.00	1.00
PI(13:0/21:0) -1.8355001	1973.00	1.00
PI(16:0/18:2(9Z,12Z))	1.00	1.00
PI(17:1(9Z)/0:0)	1.00	1.00
PI(19:0/0:0)	1.00	1.00
PI(20:0/0:0)	1.00	1.00
PI(20:4(5Z,8Z,11Z,14Z)/0:0)	1.00	1.00
PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	1.00	1.00
PI(22:0/18:3(9Z,12Z,15Z))	17745.33	17996.75
PI(22:2(13Z,16Z)/0:0)	1.00	11946.00
Picein	1.00	7874.25
Picolinic acid	8748.67	4968.25
Picrasin C	1.00	1.00
Pindone	1.00	3409.00
Pinnasterol	1.00	1.00
PIP(16:1(9Z)/18:0)	1.00	1.00
PI(P-18:0/0:0)	1.00	4516.75
PIP(18:0/16:0)	1.00	1.00
PIP(20:2(11Z,14Z)/16:0)	1.00	1.00
Piplartine	1.00	1.00
Pivalic acid	1.00	1.00
p-Nitrophenyl-O-ethyl ethylphosphonate	1.00	1.00
p-[N-Propyl-N-(2-carboxyethyl)sulfamoyl]benzoic acid	1972.33	1.00
Podecdysone B	1.00	1.00
Poly-g-D-glutamate	1.00	1.00
Polygonolide	9145.67	2851.00
Pongamoside C	1.00	1.00
Populin	8866.33	13563.50
Populin -1.6078182	1.00	9688.25
Postin	1.00	1.00
p-Phenetidine	1.00	1.00
p-Phenetidine -2.2392502	1.00	1.00
p-Phenetidine -2.8149998	1.00	1.00
p-Phenetidine -3.074	1.00	1.00
p-Phenetidine -3.722	1.00	1.00
Prasterone sulfate	1.00	1.00
Prasterone sulfate -0.908	2540.00	2956.50
Precorrin 1	1.00	1.00
Precorrin 1 -6.5553336	1.00	1.00
Pregna-4,16-diene-3,11,20-trione	158606.67	107997.25
Pregna-4,16-diene-3,11,20-trione -1.1098	1.00	1.00
Pregna-4,16-diene-3,11,20-trione -2.0986874	149789.67	165269.00
Pregna-4,16-diene-3,11,20-trione -2.40952	304602.33	337859.50
Pregnanolone sulfate	1.00	1.00
Prekinamycin	1.00	1.00
Premithramycin A2^	1.00	1.00
Prenyl-L-cysteine	1.00	1.00
Proacacipetalin	1.00	1.00
Pro His Pro	1.00	1.00
Promacyl	1.00	1.00
Propafenone glucuronide	1.00	1.00
Propane, 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxy- ...	1.00	1.00
Propane, 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxy- ...	1.00	1.00
Propanil	1.00	5560.50
Propanil -2.264	1712.00	1.00
Propiconazole	1.00	1.00
Propoxur	1.00	3362.75
Pro Pro Arg	1.00	12133.00
Pro Pro Met	1.00	2292.25
Proscillaridin A	1.00	11939.25
Proscillaridin A -0.99600005	1.00	1.00
Prosolanapyrone III	1.00	1.00
Protionamide	1.00	2777.25
Protionamide sulfoxide	1.00	1.00
protoporphyrin IX	1.00	1.00
protoporphyrin IX -0.924	1.00	1451.75
Pro Trp Gly	1.00	1.00
Pro Trp Gly -2.132	1.00	1.00
Pro Trp Met	1.00	1.00
Pro Trp Met -1.372	1.00	1.00
PS(16:0/0:0)	1.00	1.00
PS(18:1(9Z)/0:0)[U]	1.00	1.00
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00
Pseudouridine	85975.00	112413.75
Pseudouridine -2.276	1.00	24439.75
PS(O-18:0/17:0)	1.00	1.00
PtdIns-(4,5)-P2-fluorescein	1.00	1.00
Pterine	1.00	2246.00
Pterosterone	4679.00	1.00
Pterosterone -1.2585	1.00	1.00
Pterosterone -1.836	1.00	1.00
Ptilosaponoside B	1.00	1.00
Ptilosaponoside B -2.6065001	5064.33	1.00
Ptilosaponoside B -3.2535	1.00	1.00
Ptilosteroid A	11643.00	2728.25
Ptilosteroid B	13232.67	10825.75
Ptilosteroid C	4301.67	5676.25
Ptilosteroid C -1.047	2420.33	1.00
Pubescenol	1.00	1.00
Pymetrozine	1.00	1.00
Pyrazinamide	1.00	1.00
Pyrazosulfuron	19872.00	1.00
Pyributicarb	1.00	1.00
Pyrimethamine-1-N-Oxide	1.00	5224.50
Pyrimethamine-3-N-Oxide	1.00	3183.75
Pyrithiobac	2868.33	8880.00
Quercetagetin 5,6,7,3^,4^-pentamethyl ether	1.00	1.00
Quercetagetin hexamethyl ether	1.00	3272.25
Quercetin 3-(2^^-galloylrhamnoside)	1.00	1.00
Quercetin 3-glucuronide-3^-sulfate	1.00	1.00
Quetiapine	1.00	1.00
Quetiapine -1.9518	1.00	3739.25
Quinagolide glucuronide	1.00	1.00
Quinidine-10,11-dihydrodiol	1.00	1.00
Quinol glucuronide	1.00	2781.25
Quinoline-3-carboxamides	3832.67	1758.75
Quizalofop	1.00	2396.00
R207910	1.00	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate	1.00	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate -1.015	12353.67	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate -1.256	1.00	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate -2.2194	51523.00	1.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	12338.67	11499.75
Radicicol	1.00	1.00
Ranunculin	1.00	1.00
Ranunculin -2.1634998	1.00	1.00
Raucaffricine	1.00	1579.00
Red chlorophyll catabolite	1891.33	1698.50
Rehmaionoside C	3461.67	3562.00
Repaglinide	1.00	1.00
Repin	1.00	1.00
Rescinnamine	1.00	1.00
Rescinnamine -2.868	1.00	1.00
Rescinnamine -2.9115	1.00	3630.75
Resiniferatoxin	1.00	1728.50
RG-14620	1.00	1.00
Rhipocephalin	1.00	4131.50
Rhipocephalin -1.191	1.00	2750.50
(R)-(Homo)3-citrate	1.00	2366.00
Ribonic acid	70441.33	42551.50
Rishitin	11681.00	15122.00
Rishitin -1.1070454	14024.67	3862.25
Risperidone	207616.67	71527.75
Risperidone -1.016	1.00	121403.25
Ritanserin	1.00	1.00
(R)-Lactate	1.00	4096.00
(R)-Lactate -2.9004	1.00	5687.25
(R)-Malate	2874.67	1.00
Ro 31-7549	1.00	1.00
Robustin methyl ether	1.00	1.00
Rosavin	2872.00	1737.75
Rosavin -0.967	1.00	1.00
Rosmarinine	1.00	1782.00
(S)-2-Ethyl-3-hydroxypropionic acid	1.00	1.00
(S)-ACPA	76331.00	1.00
(S)-ACPA -0.738	1.00	4800.25
Salicin	45505.00	7182.50
Salicyluric acid	1.00	1.00
Salvarsan	1.00	1305.75
(-)-Salvisyriacolide	1.00	1.00
Sarin	1.00	1562.50
Sarmentoside B	3309.00	1.00
Sarmentosin epoxide	20120.33	2878.75
Sarmentosin epoxide -6.139	1.00	1.00
Sarothralin	1.00	1.00
SB 216763	1.00	1921.75
(S)-beta-Methylindolepyruvate	1.00	1.00
Scandoside methyl ester	1.00	1.00
Sciadopitysin	1790.33	1.00
Scopolin	11678.00	2721.25
Scutellarein 4^-methyl ether	1.00	2814.25
Scutellarein 4^-methyl ether -2.158	1.00	1.00
Se-Adenosylselenohomocysteine	1.00	3552.50
Se-Adenosylselenohomocysteine -2.7955	1.00	1.00
Secnidazole	1.00	1.00
Secogalioside	1.00	15750.50
Secogalioside -0.94873327	43693.67	78374.50
sec-o-Glucosylhamaudol	2862.33	1.00
sec-o-Glucosylhamaudol -1.274	1.00	1.00
sec-o-Glucosylhamaudol -1.5055002	1.00	1.00
sec-o-Glucosylhamaudol -1.6665001	1.00	9966.25
sec-o-Glucosylhamaudol -2.069	1.00	1.00
sec-o-Glucosylhamaudol -2.092	1.00	1.00
sec-o-Glucosylhamaudol -2.1016667	1.00	1370.25
sec-o-Glucosylhamaudol -3.1729999	1.00	1.00
Seleno-L-methionine	1.00	9124.25
Ser-Ala-OH	2200.33	1888.25
Ser-Ala-OH -2.709	1.00	1.00
Ser Arg	1.00	4022.25
Ser-Asp-OH	14948.00	2360.50
Ser-Asp-OH -2.391	2135.33	1.00
Ser-Gly-OH	1.00	1.00
Ser His His	1.00	1868.25
Sericetin Diacetate	1.00	1.00
Ser-Met-OH	6082.33	1.00
Ser-Ser-OH	1.00	1.00
Ser-Ser-OH -2.1706667	6694.33	1.00
Ser-Ser-OH -2.526	6318.00	1.00
Ser-Ser-OH -2.6598332	1.00	21031.25
Ser-Ser-OH -2.9201999	9240.67	4088.25
Ser-Ser-OH -3.234	1.00	1.00
Ser-Ser-OH -3.3636665	6585.33	1.00
Ser-Thr-OH	1.00	1.00
Sertraline	1.00	1.00
S-Formylmycothiol	1.00	3078.75
Shanzhiside	1.00	1.00
Shihunine	5540.00	17581.00
Shihunine -3.577	1.00	5021.00
Shihunine -4.832	1.00	1.00
Silver sulfadiazine	1713.33	1.00
Silver sulfadiazine -1.604	1.00	1.00
Simplexin	1.00	1.00
Simvastatin-6^-carboxylic acid	1.00	9304.75
Sinapic acid	1.00	1.00
Sinapic acid -1.259	1.00	1.00
S-Methyl-5-thio-D-ribose 1-phosphate	6988.33	1.00
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxo...	4633.00	1.00
SN38 glucuronide	1.00	3852.00
sn-3-O-(geranylgeranyl)glycerol 1-phosphate	1.00	1.00
Solasonine	1.00	1.00
Sophoracoumestan A	1.00	1.00
Soraphen O	1.00	3711.00
S-(Phenylacetothiohydroximoyl)-L-cysteine	1.00	1.00
Spirolaurenone	8414.00	6564.00
Spirolaurenone -2.211	1.00	1.00
(-)-Spongiane-15,16-diol	1.00	1.00
Spongipregnoloside C	1.00	1.00
SQDG(16:0/16:1(13Z))	1.00	1274.75
ST638	1.00	1.00
Staurosporine	1889.00	1.00
Stealthin C	1.00	1.00
Steryl sulfate	1.00	1.00
Steryl sulfate -1.1473333	1.00	5062.50
stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside	1.00	1.00
Stigmatellin A	1.00	1.00
Stigmatellin A -0.969	1.00	1.00
Succinic acid	530277.00	29776.00
Succinic anhydride	2619.33	7021.75
Succinic anhydride -1.8392501	31643.33	1.00
Sucralose	58327.00	426101.25
Sucralose -1.429	1.00	1.00
Sudan Red 7B	8159.33	1795.25
Sulfacetamide	1.00	2339.00
Sulfacetamide -2.8153334	1.00	1.00
Sulfacetamide -2.921	1.00	5341.50
Sulfamerazine	1.00	1.00
Sulfanilamide	1.00	1.00
Sulfaphenazole	40038.00	31041.75
Sulfaphenazole -1.0698388	30193.33	29344.00
Sulfentrazone	1.00	1.00
Sulfinpyrazone sulfone	1.00	1.00
Sulfoglycolithocholate	1.00	1.00
Sulfuric acid	1.00	1.00
Sulfuric acid -2.122	5405.00	1.00
Sulfuric acid -7.742	1.00	1.00
Sulindac sulfone glucuronide	1.00	1.00
Sunitinib	1.00	1546.00
Surinamensin	1.00	1.00
(+)-Syringaresinol	4573.33	1.00
Syringin	1.00	1.00
Syringolin A	1946.00	1.00
Syringomethyl Reserpate	1.00	1.00
Tafluprost (free acid)	1.00	1.00
Tagitinin F	8850.00	1.00
Talampicillin	13037.33	6279.00
Tartrazine	1.00	1.00
Taurine	222994.33	1.00
Taurochenodeoxycholic acid 7-sulfate	1.00	1.00
Taurodeoxycholic acid	5275.00	1.00
Taurodeoxycholic acid -3.3646	2282.00	1.00
Tauropine	4962.00	1.00
Tauroursocholic acid	1.00	1.00
Tauroursocholic acid -1.6835	1.00	1.00
Tauroursocholic acid -3.6415	1.00	1.00
Tauroursocholic acid -3.87	1.00	1.00
Tauroursocholic acid -3.912	1.00	1.00
Tauroursocholic acid -4.2625	1.00	1.00
Tauroursocholic acid -4.342	1.00	1.00
Tauroursocholic acid -4.4245	1.00	1.00
Tecnazene	2095.67	1704.25
Teniposide	6936.67	5230.75
Tenovin-6	1.00	1.00
Tephrowatsin B	1.00	1943.50
Terbacil	1.00	1.00
Terbinafine metabolite glucuronide	1.00	1.00
Testosterone sulfate	65293.67	14926.50
Testosterone sulfate -0.9498889	3867.67	13055.50
Tetradecyl sulfate	8402.67	23054.75
Tetradecyl sulfate -0.85424995	1.00	3623.00
Tetragastrin	1.00	1.00
Tetranor-PGF1alpha	1.00	12041.50
Thalsimine	1.00	1.00
Theophylline	1.00	1.00
Thiamethoxam	1.00	4742.50
Thiarubrine B	1.00	1.00
Thioacetate	1.00	1.00
Thiobenzamide S,S-dioxide	48765.00	110057.25
Thiodiacetic acid	706162.67	206001.00
Thiodiacetic acid -1.3479445	15764.33	12276.50
Thiodiacetic acid -1.6822501	1.00	6947.00
Thiodiacetic acid -1.7196001	9187.33	5784.75
Thiodiacetic acid -3.144	1.00	1.00
Thiodiacetic acid sulfoxide	124478.00	77913.50
Thiodiacetic acid sulfoxide -1.1063572	93515.00	41206.25
Thiodiacetic acid sulfoxide -1.2115927	53317.00	43931.00
Thiodiacetic acid sulfoxide -1.4025	7745.67	5385.00
Thiodiacetic acid sulfoxide -1.5762222	11415.33	1.00
Thiodiacetic acid sulfoxide -1.7444	14107.33	1629.25
Thiodiacetic acid sulfoxide -2.2310998	1.00	6297.25
Thiodiacetic acid sulfoxide -2.3166153	7907.33	5643.50
Thiodiacetic acid sulfoxide -2.327	1.00	2339.00
Thiodiacetic acid sulfoxide -2.36225	1.00	4406.25
Thiodiacetic acid sulfoxide -2.7902145	47219.67	45722.00
Thiodiacetic acid sulfoxide -2.8123333	13585.00	1.00
Thionazin	1.00	1.00
Thionazin -1.458	1.00	1.00
Thiopurine	1.00	4137.50
Thiopurine -1.781	1.00	2638.00
Thioridazine-2-sulfone-5-sulfoxide	1.00	1.00
Thioridazine 5-sulfoxide	1.00	1.00
Thiosulfic acid	1.00	1.00
Thiosulfic acid -4.409	1.00	1.00
Thiosulfic acid -5.493	1.00	1.00
Thonningianin B	6419.00	6894.75
Thonningianin B -1.1073637	2392.33	10238.50
Thonningianin B -1.174	4268.00	1.00
Thr Cys Arg	1.00	8905.75
Thr Gly Cys	1.00	1.00
Thr Leu	1.00	1.00
Thr Leu -6.51	1.00	1.00
Thr Met Thr	7890.33	5351.75
Thr-Phe4Cl-OH	1.00	1.00
Thymine	1.00	1.00
Tiapride	1.00	1.00
Todralazine	1.00	2137.25
Tolylfluanid	7177.67	1.00
Tolylfluanid -2.33	1.00	1.00
Tos-Arg-CH2Cl	1.00	1.00
Totarol-19-Carboxylic Acid	1.00	1.00
Toxoflavine	1.00	1.00
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane	1.00	1.00
trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane -2.397	1.00	1.00
trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)...	1.00	4460.00
Transfluthrin	1.00	1.00
Transfluthrin -1.529857	1.00	1.00
?,?-Trehalose	27873.67	6508.50
?,?-Trehalose -6.0528526	23578.33	13958.25
Triacetin	1.00	1939.25
Triazolidinonethione	1.00	1.00
TRIBOA	1.00	1.00
TRIBOA -5.6965	1.00	1.00
Tributyrin	3956.67	131492.75
Trichlormethine	1.00	3996.00
Trichostatin A	2394.00	1.00
Tricyclodehydroisohumulone	1.00	18288.25
Tridesacetoxykhivorin	1.00	1787.25
Tridiphane	1.00	1.00
Tridiphane -7.665	1.00	1.00
Triflumizole	1.00	1.00
TRIM	1.00	7393.50
Trimeprazine sulfoxide	1.00	1.00
Triphenyl phosphate	1.00	1.00
Triphyllin A	1.00	1.00
Tris(butoxyethyl)phosphate	1.00	1285.75
Triterpenoid	2313.67	14027.75
Triterpenoid -0.9165	1.00	1.00
Tropolone	55552.67	58084.25
Tropolone -1.0264	14884.00	7955.25
Trp His His	1.00	1.00
Trp-HoPhe-OH	1.00	1.00
Trp-HoPhe-OH -1.404	1.00	1.00
Trp Met Leu	1.00	1639.00
Trp Met Leu -1.485	1.00	1.00
Trp-Met-OH	1.00	1.00
Trp Trp Asp	1.00	1686.00
Trp Tyr Phe	8849.67	2880.00
Trp Tyr Phe -1.2625	1.00	1.00
Trp Val Ala	1805.67	1.00
Trp Val Val	1.00	1.00
Tuliposide A	1.00	1.00
Tutin	1.00	9699.25
TXB2	1922.00	1.00
Tylosin	1.00	1.00
Tylosin -1.0955	1.00	1.00
Tyramine glucuronide	1.00	1.00
Tyramine-O-sulfate	25667.00	307340.25
Tyramine-O-sulfate -3.109	1835.33	1.00
Tyrindoxyl sulfate	1.00	1.00
TyrMe-Nap-OH	1.00	1.00
Tyr-Met-OH	1.00	5495.25
Tyr Phe Gln	4594.67	2939.00
Tyr Thr Lys	3607.33	2351.75
Tyr Tyr Phe	1.00	1.00
Tyr Tyr Pro	1.00	1.00
Tyr Tyr Pro -2.411	1.00	1.00
Tyr Tyr Trp	1.00	1.00
Tyr Tyr Trp -1.5255	1.00	1.00
Tyr Tyr Trp -1.6867499	1.00	2269.00
Tyr Tyr Trp -1.8371667	3169.67	1.00
Tyr Tyr Tyr	1.00	1.00
Ubiquinone	1.00	1.00
UDP-4-dehydro-6-deoxy-D-glucose	1.00	1.00
UDP-alpha-D-galacto-1,4-furanose	1.00	2536.25
Undecanedioic acid	1.00	1.00
Unoprostone isopropyl ester	1.00	3712.75
Unoprostone isopropyl ester -1.4015	1.00	1535.50
Unoprostone isopropyl ester -1.498	1.00	1.00
Unoprostone isopropyl ester -1.534	1.00	1578.75
Uplandicine	1.00	1.00
Uracil mustard	2695.33	1576.25
Uracil mustard -1.5534999	1.00	1855.75
URB447	3384.67	1.00
Urdamycin B	1.00	1.00
Urothion	17390.67	11866.25
Urothion -2.154	2639.67	1.00
Ursodeoxycholic acid 3-sulfate	1.00	1.00
Ursodeoxycholic acid 3-sulfate -1.401	1.00	1.00
Usambarensine	1.00	1.00
Valacyclovir	1.00	1.00
Val Asn Asp	1.00	2728.50
Valdecoxib	1.00	1.00
Valerosidatum	1.00	1984.75
Valerosidatum -1.8356667	1.00	1.00
Val His Trp	3775.33	5611.75
Valinopine	1.00	1.00
Valiolone	1.00	1.00
Val Leu	4766.00	1.00
Val-Phe-OH	1.00	1.00
Val Trp Gly	1.00	1.00
Val Trp Gly -2.168	1.00	1.00
Val Val	1.00	1.00
Velloquercetin	42905.00	10818.25
(+)-Veraguensin	1.00	6251.75
Vernodalol	1.00	1701.75
Verrucarin A	1.00	1404.75
Verteporfin	1716.00	1.00
Vinclozolin	1.00	1.00
Vindoline	4283.00	1.00
Vinyl fluoride	6052.00	1.00
Volkenin	1.00	1.00
W123	1.00	1.00
W123 -1.4343846	1.00	4243.75
Westiellamide	2242.00	2675.75
Wightin	2711.00	10017.00
Wightin -2.09	1.00	1.00
Wightin -2.4559999	1.00	1.00
Xanthosine	11634.00	14429.75
Xanthosine -2.0793333	1.00	2663.75
Xanthosine -2.3908572	1.00	1940.00
Xanthosine -2.994909	2964.67	1457.50
XAV939	20863.00	14684.50
Xipamide	1.00	4103.75
Xipamide O-glucuronide	1.00	1.00
Xylobiose	1.00	1.00
Zapotinin	1.00	1.00
Zapotinin -2.4034376	2541.33	12684.75
zeleplon	1.00	1281.75
Zindoxifene	1.00	1.00
Zingerone	3495.00	6059.75
Zingerone -1.1661363	9476.00	10288.75
Zinnolide	1.00	2385.25
Zolazepam	1.00	1355.00
Zygadenine	1.00	3521.00
Zygadenine -1.523	1.00	1.00
Zygadenine -1.791	1.00	1.00
(ѩ15-HEDE	1.00	1.00
(ѩ8-gingerol	2131.00	3341.75
(ѩ8-gingerol -1.1225	1672.00	5239.00
(ѩ8-gingerol -1.3866667	1.00	1.00
(ѩ-Goniothalesdiol	1.00	7579.75
(ѩ-Goniothalesdiol -1.344	1.00	1.00
(ѩ-Goniothalesdiol -1.575	1.00	1.00
(ѩ-Ibuprofen	1.00	1.00
(ѩ-Naringenin	1.00	1.00

Factors:

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