Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST003302

(Analysis AN005409): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3
10-HYDROXYDECANOIC ACID	13371142.00	12450819.00	12300752.00
10-UNDECYNOIC ACID	766256.00	799006.00	751278.00
11-DEHYDROCORTICOSTERONE	9126.00	24423816.00	2806592.00
11-DEOXYCORTISOL	63737.00	4373638.00	540673.00
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE	5569201.00	198761136.00	86619272.00
11-HYDROXY-UNDECANOIC ACID	248448.00	709250.00	438353.00
1,2,3,3-TETRAMETHYLNORBORNAN-2-OL	1145247.00	4347761.00	884793.00
1,2,3-TRIETHYL 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE	923020.00	4974534.00	548936.00
12-(CYCLOHEXYLCARBAMOYLAMINO)LAURIC ACID	705508.00	23638150.00	3032533.00
1,2-DIETHYL BENZENE-1,2-DICARBOXYLATE	1822760.00	6919877.00	430864960.00
1,2-DIHYDROXYHEPTADEC-16-YN-4-YL ACETATE	23771160.00	51225056.00	6344532.00
1-(2-HYDROXY-4,5-DIMETHYL-PHENYL)ETHANONE	298467.00	147566848.00	19430098.00
1-[(2R,4S,5R)-4-FLUORO-5-METHYLOL-TETRAHYDROFURAN-2-YL]PYRIM...	682848.00	33690340.00	7958187.00
1-[(2R,5R)-5-(HYDROXYMETHYL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]PY...	7397.00	84605256.00	5149027.00
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROCYCLODODECA...	484523.00	7974469.00	1078765.00
1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE	944704.00	9437168.00	1643949.00
1-(4-AMINOPHENYL)ETHANONE	205631.00	1211353.00	2988955.00
1-[4-(DIMETHYLAMINO)PHENYL]ETHANOL	7397.00	13280467.00	3230712.00
14-HYDROXY-TETRADECANOIC ACID	523797.00	1165882.00	556943.00
17ALPHA-HYDROXYPREGNENOLONE	351459.00	4710172.00	471370.00
(1AS,2S,6AS,7S,7AR)-3,3,6A,7A-TETRAMETHYL-7-METHYLOL-2,2A,4,...	290644.00	5641711.00	2279387.00
1-CYCLOHEXYL-3-(2-PHENYLETHYL)UREA	360774.00	19429612.00	3195401.00
1-DIPHENYLPHOSPHORYLCYCLOBUTANECARBOXYLIC ACID	7397.00	36536340.00	2760459.00
1-HEXADECANOYL-RAC-GLYCEROL	19111492.00	16434127.00	18482566.00
1H-INDOLE-2,3-DIOL	41717.00	26185194.00	6857487.00
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACI...	55432.00	650670912.00	83890688.00
1-(P-TOLYL)CYCLOPROPANECARBOXYLIC ACID	688286.00	922891.00	831997.00
[(1R,2R)-3-OXO-2-PENTYLCYCLOPENTYL]ACETIC ACID	123855.00	1560889.00	198811.00
(1R,2S)-3-OXO-2-(2^Z-PENTENYL)-CYCLOPENTANEACETIC ACID	1675809.00	2509299.00	272675328.00
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,8,8A-HEXAH...	188699.00	3812123.00	703360.00
(1R,3AS,3BR,5AS,9AS,9BS,11AS)-1-HYDROXY-1,9A,11A-TRIMETHYL-2...	186332.00	3247055.00	949127.00
(1R,3R,4R,4AS,8AS)-4-HYDROXY-3,4A,8,8-TETRAMETHYL-4-[2-(5-OX...	1495259.00	1030508.00	1799958.00
(1R,4AR)-6-HYDROXY-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,4B,5,6,10...	163560.00	1523196.00	945721.00
(1R,4AS,10AR)-7-(1-HYDROXY-1-METHYL-ETHYL)-9-KETO-1,4A-DIMET...	383677.00	4741600.00	1054725.00
(1R,4S,5S,6R,9R)-5,6-DIHYDROXY-4,11,11-TRIMETHYL-8-METHYLENE...	468854.00	2867168.00	2082573.00
(1R,6S,11AS,13S,14AR)-1,13-DIHYDROXY-6-METHYL-1H,4H,6H,7H,8H...	92408.00	5171268.00	697775.00
(1S,2R,10R,11S,14R,15S)-14-HYDROXY-14-[(1S)-1-HYDROXYETHYL]-...	52353.00	3295033.00	1065443.00
[(1S)-5-METHYL-1-(4-METHYLPENT-3-ENYL)-2-OXABICYCLO[2.2.2]OC...	152044.00	41635080.00	4670966.00
(1S,6S,8R,11R)-2,6,9-TRIMETHYL-6-METHYLOL-TRICYCLO[5.4.0.02,...	8200460.00	7287052.00	8208057.00
2-(1,2-DIHYDROXYETHYL)-3,4-DIHYDROXY-2H-FURAN-5-ONE	5269.00	330780768.00	640208384.00
2-({1-[3-(TRIFLUOROMETHYL)PHENYL]PROPAN-2-YL}AMINO)ETHYL BEN...	61059.00	21185102.00	2694007.00
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC ACID	155268.00	1698155392.00	216043632.00
21-DEOXYCORTISOL	63737.00	48863116.00	7940335.00
2-(1-HYDROXY-1-METHYL-ETHYL)-4A,8-DIMETHYL-DECALIN-1,5-DIOL	152044.00	41643108.00	4670966.00
2-[(1R,4S,5R,7R,8S,10S)-4-HYDROXY-5,10-DIMETHYL-11-OXATRICYC...	4554488.00	3854770.00	4624015.00
2-[(1S,2R,6S,7R)-3,5-DIKETO-4-AZATRICYCLO[5.2.1.02,6]DECAN-4...	48256.00	6051197.00	604831.00
2-[2-(1H-INDOL-3-YL)ACETAMIDO]ACETIC ACID	71551.00	15141218.00	3098458.00
2-[[2-(1H-INDOL-3-YL)ACETYL]AMINO]PROPIONIC ACID	150305.00	4678909.00	1474905.00
2-[2-(2-BUTOXYETHOXY)ETHOXY]ETHANOL	4623951.00	7271069.00	5038855.00
2,2,4,4,6,6,8,8,10,10,12,12-DODECAMETHYL-1,3,5,7,9,11-HEXAOX...	4329246.00	4870192.00	5237830.00
2,2,4,4,6,6,8,8-OCTAMETHYL-1,3,5,7,2,4,6,8-TETRAOXATETRASILO...	11466227.00	11858497.00	11598683.00
2,2,4,4,6,6-HEXAMETHYL-1,3,5,2,4,6-TRIOXATRISILINANE	75952272.00	110638544.00	99399736.00
2-(2,5-DIMETHOXY-4-PROPYL-PHENYL)ETHYLAMINE	191743.00	4485350.00	652861.00
2-(2,6-DIMETHYLPHENOXY)ACETIC ACID ETHYL ESTER	695417.00	37029760.00	3736913.00
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC ACID	197178.00	1481273984.00	185932336.00
2-[(2-AMINO-6-OXO-6,9-DIHYDRO-3H-PURIN-9-YL)METHOXY]-3-HYDRO...	30980.00	39206892.00	6179119.00
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE	188308.00	683898048.00	98284048.00
2-(2-BUTOXYETHOXY)ACETIC ACID	84000032.00	81044864.00	82084008.00
2-(2-METHYLCOUMARAN-5-YL)ACETIC ACID	194508.00	5147521.00	3301304.00
2-[(2-OXOINDOL-3-YL)AMINO]ISOINDOLE-1,3-DIONE	1249707.00	16484392.00	1576914.00
2-[(2-PHENOXYACETYL)AMINO]ACETIC ACID	1182663.00	4715977.00	1591016.00
2-[(2R)-2-HYDROXYCYCLOHEXYL]ACETIC ACID	298721.00	2875595.00	2010010.00
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE	133711.00	82121648.00	53853580.00
2,3-DIHYDROXYPROPYL (9E)-OCTADEC-9-ENOATE	1203929088.00	1017218880.00	1256591744.00
2-[4-(2-METHYLPROPYL)PHENYL]PROPANOIC ACID	94974.00	275517.00	624243.00
2,4,6-TRIMETHYL-N-[2-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAM...	1209596.00	8943896.00	10807256.00
2-[4-(AMINOMETHYL)PHENYL]ACETIC ACID	2809271.00	2819405.00	2589757.00
2,4-DIHYDROXYHEPTADEC-16-YN-1-YL ACETATE	2426762.00	1982247.00	2176622.00
2,4-DITERT-BUTYL-6-[(DIMETHYLAMINO)METHYL]PHENOL	7397.00	41196724.00	4204703.00
2,5,8,11,14-PENTAOXAPENTADECANE	80851.00	8764389.00	1136841.00
2,5,8,11-TETRAOXATRIDECAN-13-OL	85973.00	567151.00	28814.00
2-[[5-AMINO-1-[3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURA...	5934.00	2024761.00	783926.00
2,5-DITERT-BUTYL-P-BENZOQUINONE	1758178.00	1904015.00	2333494.00
2,5-HEXANEDIONE	854447.00	815644.00	1125351.00
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OLATE	7636305.00	6740431.00	7107403.00
2,6-DITERT-BUTYL-4-(MORPHOLINOMETHYL)PHENOL	637723.00	37064308.00	3761880.00
2-(7-HYDROXY-6-METHYL-OCTYL)-2H-FURAN-5-ONE	75543.00	1343372.00	476345.00
2-(7-KETO-6-METHYL-OCTYL)-2H-FURAN-5-ONE	1717830.00	21254688.00	4215571.00
2-ACETAMIDOPROPIONIC ACID	484922.00	11554009.00	2656520.00
2-(ACETYLAMMONIO)-4-METHYL-VALERATE	58339.00	2212974.00	465081.00
2-AMINO-2-(P-TOLYL)ACETIC ACID	1764177.00	741756.00	13841636.00
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID	56096.00	272962752.00	33115588.00
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	49475.00	11822435.00	1491902.00
(2-AMINO-6-CHLORO-PYRIMIDIN-4-YL)-(4-METHYLBENZYL)AMINE	255503.00	19614458.00	4003931.00
2-AMINO-9-[(2S,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-...	6032.00	39338440.00	8111319.00
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLO...	11652572.00	9348628.00	11574271.00
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOATE	31331.00	54918152.00	11682423.00
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE	31331.00	54934776.00	7642879.00
2-(BENZOYLOXY)PROPYL BENZOATE	3427023.00	18721526.00	4891017.00
(2-COUMARAN-5-YL-1-METHYL-ETHYL)-METHYL-AMINE	3031277.00	2553828.00	3012147.00
2-CYCLOHEXYL-2-OXIDANYL-2-PHENYL-ETHANOIC ACID	219824.00	2557013.00	417209.00
2-(DIBENZYLCARBAMOYL)BENZOIC ACID	7397.00	141509488.00	27833822.00
2-(DIMETHYLAMINO)BENZALDEHYDE	37195.00	2596203.00	45814352.00
2-DIPHENYLPHOSPHORYLHYDROQUINONE	7888.00	12204737.00	1112728.00
2-DIPHENYLPHOSPHORYL-N-ETHYL-ACETAMIDE	7397.00	55729920.00	7029534.00
(2E)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONE	34307416.00	22742686.00	23648882.00
(2E)-1-(2,6-DIHYDROXY-4-METHOXYPHENYL)-3-PHENYLPROP-2-EN-1-O...	10153.00	32989106.00	4254178.00
(2E)-3-[(4S,7R,7AR)-3,7-DIMETHYL-2,4,5,6,7,7A-HEXAHYDRO-1H-I...	104286.00	17533162.00	2250987.00
(2E,6E,10Z)-12-HYDROXY-6-METHYL-10-METHYLOL-2-(4-METHYLPENT-...	538937.00	3241648.00	686462.00
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID	311864.00	2261481.00	601753.00
2-HYDROXY-5^-KETO-1^,4,4^A-TRIMETHYL-4-VINYL-SPIRO[CYCLOPENT...	3107115.00	2080841.00	2094006.00
2-HYDROXYCINNAMIC ACID	119046.00	47357524.00	7217356.00
2-HYDROXYPHENETHYLAMINE	7397.00	958901.00	284684.00
2-ISOTHIOCYANATOBENZOIC ACID METHYL ESTER	2123.00	4463512.00	384967.00
2-(ISOVALERYLAMINO)-3-METHYL-BUTYRIC ACID	7397.00	546950464.00	81641464.00
2-METHYLACRYLIC ACID [(1R,3R,4S,6S,8R,9R,10S,11S)-8-HYDROXY-...	88592.00	11866561.00	1609362.00
2-(METHYLTHIO)-1-PHENYL-ETHANONE	1648131.00	3603746.00	1648131.00
2-OCT-7-ENYLGLUTARIC ACID	527892.00	652065.00	569097.00
2-(O-TOLYL)AZEPANE	176215.00	25092994.00	6162905.00
2-PROP-2-YNYLOCTANOIC ACID	908117.00	984734.00	1253381.00
(2R)-2-[[(2S)-2-AMINOPROPANOYL]AMINO]-3-PHENYL-PROPIONIC ACI...	7397.00	5377252.00	211832.00
(2R)-2-(3-ACETAMIDOPROPANAMIDO)-3-(1H-IMIDAZOL-5-YL)PROPANOI...	7397.00	39508360.00	3260583.00
(2R)-2-AMINOBUTANEDIOIC ACID	60989.00	21166292.00	26911422.00
(2R,3R,4S,5S,6R)-2-[3-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXEN-...	5053718.00	5527499.00	3425562.00
[(2R,3R,5R)-5-ADENIN-9-YL-4-HYDROXY-2-METHYLOL-TETRAHYDROFUR...	125319.00	5182532.00	868043.00
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TET...	181028.00	10268526.00	1697747.00
(2R,3S,4S,5S,6R)-2-[7-HYDROXY-4-[(Z)-5-HYDROXY-3-METHYL-PENT...	29633952.00	6083136.00	35947256.00
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC ACID	36437.00	770736.00	158236.00
(2S)-2-({9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-[(PHOSPHONOOXY)MET...	7397.00	8139509.00	897852.00
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TERT-BUTYL ES...	2012427.00	9639294.00	4043546.00
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE	1766220.00	1170862.00	13840732.00
(2S)-2-HYDROXY-2-PHENYLPROPANOIC ACID	53294.00	26576438.00	4150811.00
(2S,3R,4S,5R)-2-ADENIN-9-YL-5-METHYLOL-TETRAHYDROFURAN-3,4-D...	48021.00	414053024.00	88033920.00
(2S,3R)-5-KETO-4-METHYLENE-2-OCTYL-TETRAHYDROFURAN-3-CARBOXY...	6220296.00	6139747.00	6013986.00
(2S)-4-AMINO-2-HYDROXY-BUTYRIC ACID	206999.00	6278941.00	2040444.00
(2S)-4-CARBAMOYL-2-ACETAMIDOBUTANOIC ACID	7397.00	16206279.00	41763072.00
(2S)-6-AMINO-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]HEXANOIC AC...	9500425.00	11758967.00	21414588.00
(2-TRANS,6-TRANS)-FARNESAL	229337.00	3332543.00	277862.00
(2Z,4E)-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL...	10573822.00	8924430.00	8440288.00
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID	39576.00	165604128.00	24126730.00
3-(2-HYDROXYPHENYL)PROPANOIC ACID	465250.00	26622356.00	4164509.00
3,3-DIMETHYL-2-PYRROLIDONE	2977117.00	22295876.00	4352702.00
3,3-DIPHENYLBENZO[F]CHROMENE	1538189.00	1704799.00	10150409.00
3-[4-[2-[4-[2,3-BIS(OXIDANYL)PROPOXY]PHENYL]PROPAN-2-YL]PHEN...	114877.00	155880208.00	16717594.00
3,4,5-TRIHYDROXYBENZOIC ACID [3,4,5-TRIHYDROXY-6-[3-(4-KETO-...	2267067.00	19289412.00	5937189.00
3,4-DIHYDROISOCARBOSTYRIL	54492.00	28070726.00	3835206.00
3,4-DIMETHYLBENZALDEHYDE	66871.00	134219568.00	44783184.00
3,4-DIMETHYLBESYLIC ACID	133711.00	82121648.00	53853580.00
3-(4-PIPERIDYL)PROPIONIC ACID ETHYL ESTER	89167.00	89684968.00	9537986.00
3-(7-METHYLOCTYL)-3,6-DIHYDRO-1H-FURO[3,4-C]FURAN-4-ONE	263804.00	1842676.00	819576.00
3ALPHA,11BETA-DIHYDROXY-5BETA-ANDROSTANE-17-ONE	640168.00	3897589.00	1179870.00
3-AMINO-2-METHYL-N-THIAZOL-2-YL-BENZAMIDE	7397.00	33712500.00	3145547.00
3-AMINO-4-(4-HYDROXYPHENYL)BUTYRIC ACID	7397.00	198250064.00	31965850.00
(3AR,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S)-3-HYDROXYOCT-1-EN-1-YL]...	3261817.00	4060873.00	2986894.00
(3AR,5AS,9AS,9BR)-3A,6,6,9A-TETRAMETHYL-1,4,5,5A,7,8,9,9B-OC...	1083530.00	3209740.00	1554485.00
3-AZANYL-5-(MORPHOLIN-4-YLMETHYL)-1,3-OXAZOLIDIN-2-ONE	7397.00	154262832.00	105225536.00
3-BENZAMIDO-2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	7397.00	2723591.00	1400750.00
3BETA-ALLOTETRAHYDROCORTISOL	7397.00	7117151.00	874382.00
3-DIPHENYLPHOSPHORYLPROPIONIC ACID	83229.00	6994424.00	286209.00
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE	46509.00	39119652.00	5207269.00
(3E,5S)-3-[[(1S,2R,4AS,6R,8AR)-1,6-DIMETHYL-2-[(E)-PROP-1-EN...	142085.00	24631902.00	2988263.00
3-[(E)-PROP-1-ENYL]GLUTARIC ACID	161288.00	6838406.00	1189859.00
3-ETHENYL-3,4A,7,7,10A-PENTAMETHYL-2,5,6,6A,8,9,10,10B-OCTAH...	233952.00	2702378.00	970474.00
3-HEPTYL-3,6-DIHYDRO-1H-FURO[3,4-C]FURAN-4-ONE	192378.00	49158820.00	6176449.00
3-HYDROXYADAMANTANE-1-CARBOXYLIC ACID	2224244.00	1421092.00	1815698.00
3-HYDROXYQUINUCLIDINE-3-CARBONITRILE	37282516.00	76662152.00	12298164.00
3-METHOXYCYCLOHEXANECARBOXYLIC ACID	392062.00	736880.00	13107422.00
3-METHYL-1-PHENYL-PENT-1-YN-3-OL	8727.00	28433362.00	5235171.00
3-METHYL-6-(PROPAN-2-YL)CYCLOHEX-2-EN-1-ONE	7397.00	4448924.00	3970.00
3-METHYL-6-SEC-BUTYL-PIPERAZINE-2,5-QUINONE	76278.00	3353874.00	665961.00
3-METHYLBUTYRIC ACID [(1S,6S,7R)-6-ACETOXY-1-ISOVALERYLOXY-S...	110608.00	10624065.00	1450165.00
3-METHYLCYCLOPENTADECAN-1-ONE	13546072.00	98840440.00	44143412.00
3-METHYLDIOXYINDOLE	74422.00	10819477.00	2173436.00
3-METHYL-HEXANEDIOIC ACID	1786834.00	15741888.00	2925613.00
3-MORPHOLINO-N-PHENYL-PROPIONAMIDE	1914889.00	51509456.00	7204946.00
3-[N-(2-HYDROXYETHYL)ANILINO]PROPIONITRILE	7397.00	33712500.00	3145547.00
3-PHENYL-3-[(2-PHENYLACETYL)AMINO]PROPIONIC ACID	1446751.00	54051924.00	11826429.00
3-PYRIDIN-1-IUM-3-YLPROPIONATE	673.00	58542080.00	4803342.00
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANO...	80591.00	33333810.00	5904839.00
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANO...	7397.00	11669502.00	2586191.00
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTAN...	7397.00	46676968.00	4692854.00
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE	110852.00	361359872.00	167827632.00
(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(DIMETHYLAMINO)...	93838.00	468032000.00	93242.00
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1,2,3,4,5,6...	5596379.00	14550088.00	6557541.00
(3R,5S,8R,9R,10S,13S,14S,17S)-17-ETHYL-13-METHYL-2,3,4,5,6,7...	152044.00	25824276.00	3871207.00
(3R,9R)-1,7-DIAZATRICYCLO[7.3.0.03,7]DODECANE-2,8-QUINONE	29258.00	58244196.00	10495516.00
(3S)-3-[(1S,4R)-4-METHYL-1-(2-METHYLPROPANOYL)-3-OXOCYCLOHEX...	547232.00	13175145.00	1629092.00
(3S)-3-METHYL-OXACYCLOTETRADECAN-2-ONE	5009268.00	6441417.00	4946804.00
(3S,4R,4AS,8AS)-4-[2-(FURAN-3-YL)ETHYL]-4-HYDROXY-3,4A,8,8-T...	9394.00	1093676.00	119078.00
(3S,5S,8R,9R,10S,13S,14S)-3-HYDROXY-13-METHYL-2,3,4,5,6,7,8,...	2836668.00	4786477.00	3275553.00
(3S,5S,8R,9S,10S,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1-METHYLE...	653324.00	2582138.00	982312.00
(3S,8R,9S,10R,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1,2,3,4,7,8,...	4988760.00	4108570.00	5016062.00
3-SEC-BUTYL-2,3,6,7,8,8A-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4...	108488.00	15728468.00	2204081.00
4-(1-HYDROXY-1-METHYL-ETHYL)-1,6-DIMETHYL-DECALIN-1,5-DIOL	152044.00	19493908.00	2842684.00
4-{1-HYDROXY-2-[(PROPAN-2-YL)AMINO]ETHYL}BENZENE-1,2-DIOL	1221865.00	710584.00	304705.00
4-[2-[(1R,4AS,5R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-5-...	358956.00	1598664.00	342723.00
4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENT...	161453.00	879703.00	334460.00
4,4,7A-TRIMETHYL-3A,5,6,7-TETRAHYDRO-3H-INDENE-1-CARBOXYLIC ...	3592571.00	1830349.00	3413795.00
4,4-DIMETHYLCYCLOHEXANE-1,3-QUINONE	723634.00	1783150.00	1321212.00
4-ACETAMIDOBUTANOIC ACID	130055.00	7173070.00	1492031.00
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2...	6140.00	4330202.00	183460.00
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2...	7397.00	390545920.00	91283496.00
[4-(AMINOMETHYL)PHENYL]METHANOL	104870.00	1696157440.00	216352224.00
4-(BROMOMETHYL)BENZOIC ACID METHYL ESTER	28069296.00	17050078.00	320997.00
4-CHLORO-2-NITRO-N-(P-TOLYL)BENZAMIDE	4879.00	152806.00	12107329.00
[4-(DIMETHYLAMINO)-2-METHYL-PHENYL]PHOSPHINIC ACID	22522.00	839387.00	70274872.00
4-[(E)-5-HYDROXY-3-METHYLPENT-3-ENYL]-3,5,5-TRIMETHYL-1-CYCL...	3099736.00	3095126.00	2604280.00
(4-HYDROXY-1-METHYL-4-PHENYL-3-PIPERIDYL)-PHENYL-METHANONE	939146.00	8560290.00	1813466.00
4-HYDROXY-2,6,6,10,14-PENTAMETHYL-11,13-DIOXATETRACYCLO[8.8....	39363056.00	36739712.00	39463088.00
4-HYDROXY-L-GLUTAMIC ACID	43327.00	961422.00	1218524.00
4-ISOPROPYLCYCLOHEXANECARBOXYLIC ACID	310731.00	534962.00	4545216.00
4-KETOPIMELIC ACID	1662478.00	43221008.00	9639239.00
4-METHOXYBENZOIC ACID [(1S,3R,3AS,4S,8AR)-1,3-DIHYDROXY-3-IS...	52925.00	5578909.00	822593.00
4-METHOXY-N^-(2-PHENYLACETYL)BENZOHYDRAZIDE	440863.00	11621533.00	718193536.00
4-METHYLBENZAMIDE	3465644.00	15495884.00	2630802.00
4-(PHENYLAMINO)PHENOL	17048.00	15311644.00	1807678.00
4-[(PHENYLTHIO)METHYL]BENZOIC ACID	598296.00	2167348.00	591400.00
4-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE-1-CARBALDEHYDE	77707.00	302785.00	142040.00
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-10,...	887082.00	79278.00	138703.00
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-7-KETO...	883367.00	4427716.00	1390945.00
(4R)-4-[(E)-4-HYDROXY-3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6...	261657.00	2808375.00	103162.00
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}BUTA...	7397.00	5420749.00	589578.00
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLID...	7556.00	13602767.00	10047457.00
5-[2-(3-FURYL)ETHYL]-5,6-DIMETHYL-8A-METHYLOL-3,4,4A,6,7,8-H...	184678.00	933147.00	197233.00
5-[4-[(E)-3-CARBOXY-3-HYDROXYPROP-1-ENYL]-4-HYDROXY-3,3,5-TR...	177030.00	3338396.00	518188.00
5ALPHA-ANDROSTANE-3BETA,6ALPHA,17BETA-TRIOL	605096.00	1654482.00	1418274.00
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE	2984444.00	3165245.00	3147319.00
5-(BENZYLAMINO)-3H-1,3,4-THIADIAZOLE-2-THIONE	1085001.00	748218.00	1722500.00
5BETA-ANDROSTANE-3BETA,17BETA-DIOL	6942326.00	6072226.00	6318020.00
5BETA-DIHYDROTESTOSTERONE	45420.00	275212.00	398123.00
5-DIPHENYLPHOSPHORYLVALERIC ACID	4389.00	10243142.00	871055.00
5-[(E)-3-HYDROXY-3-METHYL-BUT-1-ENYL]-2-METHYL-CYCLOHEX-5-EN...	601465.00	1236775.00	1971190.00
(5E)-5-(3-HYDROXYBENZYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE	41568.00	47303800.00	7208858.00
(5E)-7-ISOPROPYL-4,10-DIMETHYLENE-CYCLODEC-5-EN-1-OL	229337.00	3333673.00	123382.00
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-ONE	482207.00	2764806.00	995777.00
5-ETHENYL-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-1-ONE	119883.00	92555200.00	15389828.00
5-HYDROXYINDOLEACETIC ACID	97701.00	187827920.00	30396910.00
5^-METHYLTHIOADENOSINE	6831.00	5641045.00	180732.00
5-PHENYLOXAZOLIDIN-2-ONE	74422.00	10853103.00	2177227.00
5-PROPYLOXOLAN-2-ONE	2272063.00	19986576.00	2830367.00
(5S,6R,7E,9E,11Z,14Z)-6-[[2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMI...	6085962.00	5333333.00	5076319.00
(5S,8R,9S,10S,13S,14S)-10,13-DIMETHYL-1,4,5,6,7,8,9,11,12,14...	96619.00	212496496.00	24218812.00
6-ACETOXY-5-BENZOYLOXY-7-METHYL-1-(3,4,5-TRIHYDROXY-6-METHYL...	704714.00	2402480.00	4193824.00
6-AMINO-1-BENZYL-PYRIMIDINE-2,4-QUINONE	1023649.00	1660003.00	3381242.00
(6E)-2,6,10-TRIMETHYLDODECA-6,11-DIENE-2,3,10-TRIOL	229337.00	3332543.00	277862.00
6-HEPTYLOXAN-2-ONE	371984.00	517883.00	317656.00
6-HEXYLOXAN-2-ONE	717257.00	2244482.00	774436.00
6-HYDROXY-2H-CHROMEN-2-ONE	7397.00	1664961.00	207519.00
6-METHOXY-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID	26558.00	32027540.00	2442378.00
6-METHYLOXAN-2-ONE	1832519.00	3497742.00	693138.00
6-OXO-OCTADECANOIC ACID	71210416.00	3716789.00	69292760.00
6-PHENYLTHIOMORPHOLIN-3-ONE	155268.00	1698155392.00	216043632.00
(6R)-2-AMINO-6-[(1R,2S)-1,2-DIHYDROXYPROPYL]-3,4,5,6,7,8-HEX...	6032.00	9523312.00	2346633.00
(6R,8R,9S,10R,13S,14S,17S)-6,17-DIHYDROXY-10,13-DIMETHYL-6,7...	299333.00	3851583.00	853048.00
(6S)-2-METHYL-6-(4-METHYLPHENYL)HEPT-2-EN-4-ONE	205517.00	45307432.00	4783558.00
(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOIC ACID METHYL ESTER	6520909.00	5831283.00	6628753.00
7A,17-DIMETHYL-5B-ANDROSTANE-3A,17B-DIOL	850427.00	20434342.00	2846515.00
7B-HYDROXYDEHYDROEPIANDROSTERONE	1091203.00	1366898.00	1504015.00
7-ISOPROPYL-9-KETO-1,4A-DIMETHYL-3,4,10,10A-TETRAHYDRO-2H-PH...	1802721.00	47708692.00	7657620.00
7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLIC ACID 7-OXABICYCLO[4....	13796.00	86127528.00	12249278.00
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID	71210416.00	3716789.00	69292760.00
8-[(E)-3-HYDROXYBUT-1-ENYL]-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]...	93275.00	1408553.00	79799.00
8-HYDROXY-8-(3-OCTYLOXIRAN-2-YL)CAPRYLIC ACID	2027558.00	2171214.00	2092563.00
8-ISOPROPYL-4,11-DIMETHYL-5,12-DIOXATRICYCLO[9.1.0.04,6]DODE...	135315.00	5642862.00	2279387.00
(9E,11Z)-8-HYDROXYOCTADECA-9,11-DIENOIC ACID	61373660.00	4946103.00	2833405.00
9-HYDROXY-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,9,10,10A-HEXAHYDRO...	278457.00	2683304.00	621985.00
9-OXOODE	562269.00	12429846.00	1215969.00
(9R,10S)-9,10,16-TRIHYDROXYPALMITIC ACID	568535.00	184537.00	224960.00
(9Z,12Z)-OCTADECA-9,12-DIEN-1-OL	29988262.00	98848504.00	44152544.00
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ACID METHY...	850427.00	20436776.00	2846515.00
ACEXAMIC ACID	6065718.00	1428883584.00	361692960.00
ACTARIT	7397.00	33712500.00	3145547.00
ADIPIC ACID BIS(7-METHYLOCTYL) ESTER	42916.00	183714.00	42634.00
ADIPIC ACID DIHEXYL ESTER	47525.00	17804624.00	4185244.00
ALPHA-IONONE	21439622.00	19327782.00	16915480.00
APHIDICOLIN	439979.00	6683461.00	2308476.00
ASPIRIN	1126434.00	3774962.00	207050912.00
ATRACTYLENOLIDE III	1464186.00	1029326.00	119583.00
BENZOIC ACID [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,9,12-TRIACET...	9212.00	380013664.00	37881444.00
BENZOIC ACID (5-BENZOYLOXY-3-CHLORO-4,6-DIHYDROXY-CYCLOHEXEN...	932227.00	1431971.00	8587327.00
BENZYL BUTYL PHTHALATE	52959892.00	52904816.00	52685488.00
BIS(2,6-DIMETHYLHEPTAN-4-YL) BENZENE-1,2-DICARBOXYLATE	30969882.00	27903464.00	32007764.00
BISABOLOL OXIDE A	291527.00	1554473.00	357874.00
CAR(3:0)	62192.00	68124144.00	8290447.00
CAR(4:0(3ME))	31826.00	20917562.00	2698304.00
CAR(8:0)	7238.00	12464563.00	1333747.00
CARNITINE	183475.00	126753136.00	91591528.00
CARNOSINE	7397.00	39508584.00	3263658.00
CIS-JASMONE	216657.00	4770487.00	570432.00
CIS-VACCENIC ACID	15585012.00	32940924.00	59501540.00
CORTICOSTERONE	63737.00	48863116.00	7938630.00
CREATINE	23470.00	31956862.00	3735838.00
CYTARABINE	165964.00	52144612.00	10912140.00
CYTOSINE	95304.00	118377952.00	156760832.00
DECAHYDRO-2-NAPHTHALENECARBOXYLIC ACID	334652.00	76642.00	152911.00
DECAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASILECANE	11542333.00	11090953.00	12828666.00
DEOXYADENOSINE	5912.00	9554009.00	1209784.00
DEOXYURIDINE	7397.00	107142640.00	5684715.00
DEXAMETHASONE	1058876.00	3627687.00	232441312.00
D-GLUTAMINE	99311.00	36320296.00	59153036.00
DIBUTYL PHTHALATE	9926302.00	10929068.00	9879516.00
DIETHYLHEXYL ADIPATE	33201048.00	26918050.00	32072174.00
DIMETHYL ADIPATE	196093.00	11226365.00	1465338.00
DIMETHYLARGININE	7397.00	2958412288.00	745695296.00
DIMETHYL PHTHALATE	5373769.00	1541065.00	687193.00
DOPA	7397.00	276674944.00	41343844.00
(E)-3,10-DIHYDROXY-4,9-DIMETHYL-DODEC-6-ENEDIOIC ACID	439383.00	5238464.00	568957.00
(E)-3-[(1R,4S,7R,7AR)-1-HYDROXY-3,7-DIMETHYL-2,4,5,6,7,7A-HE...	322482.00	43642896.00	4546596.00
(E)-3-(2,4-DIMETHYLPHENYL)ACRYLIC ACID	1572671.00	2290655.00	1923823.00
(E)-3-(5-ISOPROPYL-3-KETO-4,5,6,7-TETRAHYDRO-1H-ISOBENZOFURA...	248540.00	445125.00	857497.00
(E)-3-PHENYLACRYLIC ACID [(1R,2R,3S,4R,6E,10S)-2-HYDROXY-3-I...	2322303.00	860091.00	899119.00
(E)-4-ANILINO-4-KETO-BUT-2-ENOIC ACID	32057.00	13664459.00	1903998.00
(E)-4-HYDROXYNON-2-ENOIC ACID	221579.00	7359497.00	1225951.00
(E)-4-KETOPENT-2-ENOIC ACID METHYL ESTER	807196.00	4158267.00	13686229.00
(E)-5-(3,3-DIMETHYLNORBORNAN-2-YL)PENT-3-EN-2-ONE	338749.00	1285136.00	290018.00
(E)-7-[(5S,6R)-5-[(E,3S)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2...	538937.00	2349986.00	1356610.00
ECDYSONE	1315336.00	1334150.00	1146727.00
EMPENTHRIN	3107115.00	19172932.00	2094499.00
ERYTHRONO-1,4-LACTONE	126507.00	23501168.00	301219.00
ETHYL (2E,4E,7S)-3,7,11-TRIMETHYLDODECA-2,4-DIENOATE	4526606.00	248663.00	1848870.00
ETHYL 3-PHENYLPROPANOATE	1216427.00	3784301.00	1002330.00
ETHYL N-ACETYL-L-TYROSINATE	7397.00	198033056.00	31919846.00
ETIOCHOLANOLONE	67860.00	1064425.00	716574.00
FASCICULIC ACID B	615789.00	1092468.00	1441687.00
GAMMA-GLUTAMYLGLUTAMINE	7397.00	6857126.00	3923175.00
GAMMA-LINOLENOYL-EA	1304554.00	4841926.00	1707906.00
(+)-GARCINIA ACID	42646.00	74060008.00	448470.00
GLABRIDIN	445029.00	4499945.00	488496.00
GLUCOSAN	9331524.00	13434072.00	10844178.00
GLUTAMIC ACID	7397.00	1422928.00	3284791.00
GUANOSINE	7397.00	31595690.00	4938414.00
HEXADEC-15-YNOIC ACID	3234363.00	2540959.00	1905170.00
HEXAETHYLENE GLYCOL	12396933.00	64360572.00	19094468.00
HIPPURIC ACID	59825.00	11686607.00	1622630.00
HYPOXANTHINE	59564.00	778724480.00	192439136.00
INDOLEACETIC ACID	626439.00	18924836.00	3200729.00
INDOLINE-4-CARBOXYLIC ACID METHYL ESTER	119883.00	92572088.00	15377808.00
INOSINE	7397.00	46199332.00	9632387.00
JUNIPERIC ACID	139748.00	44101292.00	6700360.00
KYNURAMINE	54492.00	28070726.00	3835206.00
L-ARABITOL	280509.00	11540024.00	3456592.00
LEUCINE	65797.00	1355688832.00	210337808.00
L-GAMMA-GLUTAMYL-S-[(5S,6R,7E,9E,11Z,14Z)-5-HYDROXY-1-METHOX...	471270.00	1315412.00	503236.00
L-HISTIDYL-L-PROLINE	35998.00	695515.00	168647.00
L-LEUCYL-L-PROLINE	25255.00	5546368.00	693939.00
LOLIOLIDE	41173.00	17929396.00	2536234.00
L-PROLYL-L-GLUTAMINE	88774.00	36320296.00	59153036.00
MCULE-6080310100	289374.00	2143420.00	358031.00
METHIONINE	7397.00	419573088.00	72792656.00
METHYL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	1820409.00	4841926.00	2571208.00
METHYL 9Z-HEXADECENOATE	8208024.00	745561.00	3105167.00
METHYL 9Z-TETRADECENOATE	6935348.00	5366210.00	8279253.00
MYRISTOLEIC ACID	665835.00	1834592.00	510915.00
N-(1-ADAMANTYL)-1-AMYL-INDOLE-3-CARBOXAMIDE	2939277.00	2287055.00	2620644.00
N-(1-ADAMANTYL)QUINOXALINE-2-CARBOXAMIDE	6516.00	6114073.00	525822.00
N-(1-BENZYL-2-HYDROXY-ETHYL)BENZAMIDE	29481.00	2167924.00	562794.00
N-(1-METHYL-2-PHENYL-ETHYL)ACETAMIDE	1225441.00	6300922.00	3927074.00
N-[2-(1H-INDOL-3-YL)ETHYL]NICOTINAMIDE	29885.00	17806746.00	2239176.00
N-(2,5-DIMETHYLPHENYL)-2-ETHYL-HEXANAMIDE	14837884.00	11799346.00	32378022.00
N-(2,6-DIMETHYLPHENYL)-4-METHOXY-BENZAMIDE	308040.00	1019086.00	67712632.00
N-(4-ACETYLPHENYL)-4-METHYL-BENZAMIDE	786293.00	71089768.00	17099944.00
N-(4-ANILINOPHENYL)-4-METHYL-BENZENESULFONAMIDE	18311.00	6686316.00	1694556.00
N-[[4-(TRIFLUOROMETHYL)PHENYL]THIOCARBAMOYL]BENZAMIDE	7397.00	1158645.00	245403.00
N6-CARBAMOYL-L-THREONYLADENOSINE	6149.00	11346637.00	1439316.00
N-ACETYLASPARAGINE	87747.00	76501.00	76501.00
N-ACETYLASPARTIC ACID	7397.00	55313848.00	36277944.00
N-ACETYL-BETA-ALANINE	1441995.00	40877984.00	179868.00
N-ACETYLGLUTAMIC ACID	49519.00	5174815.00	10457615.00
N-ACETYLORNITHINE	43978.00	21436166.00	6169934.00
N-ACETYLPHENYLALANINE	128160.00	22648712.00	2933510.00
N-ACETYLTHREONINE	148538.00	3907229.00	1671920.00
N-ACETYLTYROSINE	28942.00	18723608.00	2788134.00
N-BUTYLBENZENESULFONAMIDE	507826.00	514309.00	180249.00
NICOTINAMIDE RIBOSIDE	7393609.00	637708480.00	140253344.00
~{N}-METHYLOLNICOTINAMIDE	222115.00	44410572.00	9986617.00
N,N-BIS(PHENYLMETHYL)-N^-PROP-2-ENYLCARBAMIMIDOTHIOIC ACID	99749240.00	165999.00	1143819.00
N,N-DIBENZYLACETAMIDE	1133.00	17498924.00	2654089.00
N-(O-CUMENYLTHIOCARBAMOYL)BENZAMIDE	7397.00	273257.00	245403.00
N-PHENYLBENZENE-1,4-DIAMINE	5424.00	4681278.00	854952.00
N-(PROPYLTHIOCARBAMOYL)BENZAMIDE	7397.00	1158645.00	527336.00
N-THIOCARBAMOYLBENZAMIDE	7397.00	367093.00	565597.00
O-SEMIDINE	8295.00	738643520.00	106675800.00
OXYBENZONE	459852.00	62540740.00	133567992.00
PALMITELAIDIC ACID	2220554.00	1259520.00	1498709.00
PENTAETHYLENE GLYCOL	8719861.00	54515844.00	16118000.00
PGD1	461544.00	2782357.00	2333955.00
PHENACYL(TRIPHENYL)PHOSPHONIUM	8158.00	194472720.00	18666100.00
PHENYLACETALDEHYDE	169055.00	204004768.00	25197902.00
PHENYLALANINE	190419.00	1482333056.00	185573616.00
PHOSPHORIC ACID	278096576.00	18655198.00	215872624.00
PROGESTERONE	52353.00	2037184.00	440628.00
PRO PHE	4720.00	7900346.00	896261.00
PSEUDOURIDINE	16255.00	89482288.00	7511.00
PYRIDOXAL	98197.00	20463812.00	3369032.00
PYRIDOXAL 5^-PHOSPHATE	86375.00	32156830.00	5654653.00
QUINOLIN-4-OL	104594.00	7714478.00	1046850.00
QUINOLIN-5-OL	7397.00	403109.00	79855.00
SEBACIC ACID DIMETHYL ESTER	318942.00	2230008.00	471834.00
TAUROCHOLIC ACID	2326003.00	1252134.00	2478290.00
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE	1991646.00	256066320.00	51455552.00
TETRAETHYLENE GLYCOL	6753324.00	34688160.00	8993769.00
THIAMINE	6066.00	2180519.00	14826830.00
THYMIDINE	7397.00	48021168.00	2416905.00
TRANS-TRANS-MUCONIC ACID	45949876.00	2510877.00	435066.00
TRAUMATIC ACID	1247297.00	1982658.00	5004822.00
TRENBOLONE	14952506.00	14595176.00	14209717.00
TRIDECANEDIOIC ACID	240248.00	2539144.00	521852.00
TRIGONELLINE	3394850.00	20025076.00	10778314.00
TRIPHENYL PHOSPHATE	3648684.00	9757651.00	4368047.00
TRIS(2-BUTOXYETHYL) PHOSPHATE	4181803.00	20317160.00	5693263.00
TRIS(2-CHLOROETHYL) PHOSPHATE	580934.00	9089723.00	1841041.00
TYROSINE	217684.00	430281152.00	69653520.00
UREIDOPROPIONIC ACID	2519064.00	80577640.00	17297206.00
URIC ACID	53277.00	58696880.00	39780172.00
VANILLIN	234355.00	4846742.00	841640.00
XANTHINE	7397.00	304878176.00	61432408.00
XANTHOSINE	7397.00	304626336.00	61291136.00
XANTHURENIC ACID	6123.00	2062939.00	459366.00
(Z)-2-METHYLBUT-2-ENOIC ACID [4,5-DIHYDROXY-2-[(4-HYDROXY-7-...	82790.00	43274668.00	7338036.00
(Z)-2-METHYLBUT-2-ENOIC ACID [(4R,6R)-6-ISOVALERYLOXY-11-KET...	52002.00	326470.00	179496.00
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACID	5480298.00	6322259.00	5493593.00
(Z)-2-OCTYLPENT-2-ENEDIOIC ACID	166564.00	49084756.00	6179123.00
(Z)-7-[(1S,2R,3R)-2-[(E,3S)-4-CYCLOHEXYL-3-HYDROXY-BUT-1-ENY...	52353.00	7433361.00	155198.00
(Z)-7-[(1S,2S,3S,5R)-3-[(4-IODOPHENYL)SULFONYLAMINO]-6,6-DIM...	80678.00	476565.00	13855.00
(Z)-LIGUSTILIDE	1546628.00	1720424.00	1957425.00

Factors:

F1	Sample type:aCSF \| Dialysate concentration:N/A
F2	Sample type:Dialysate \| Dialysate concentration:10x
F3	Sample type:Dialysate \| Dialysate concentration:1x