Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000292

(Analysis AN000466): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3
10,16-Dihydroxyhexadecanoic acid	672823.53	552117.65	569588.24
(10S)-Juvenile hormone III acid diol	2751.76	2969.41	2977.65
(10S)-Juvenile hormone III diol	3883.06	4052.94	3284.59
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-...	777294.12	967882.35	778588.24
11H-Benz[bc]aceanthrylene	7091764.71	7461176.47	7439411.76
11-Methoxy-vinorine	489935.88	55900.59	122250.59
1-(1-Oxopropyl)-1H-imidazole_1	1915529.41	1333294.12	1600882.35
1-(1-Oxopropyl)-1H-imidazole_2	868147.06	1052705.88	1016352.94
1,2,3-Trihydroxybenzene	57088235.29	76311764.71	63935294.12
1,2,6-Hexanetriol	6792941.18	7541176.47	6813529.41
1,2-Bis(chloromethoxy)ethane	677000.00	388000.00	671805.88
1,3,8-Naphthalenertriol	1319411.76	1237647.06	1260000.00
1,3-Dichloro-2-propanol	3714117.65	4536470.59	3481176.47
1,4^-Bipiperidine-1^-carboxylic acid_1	427500.00	305176.47	266670.59
1,4^-Bipiperidine-1^-carboxylic acid_2	314582.35	311131.76	215258.82
1,4^-Bipiperidine-1^-carboxylic acid_3	416500.00	265305.88	480152.94
14-Dihydroxycornestin	6965882.35	5030588.24	9685882.35
17beta-Methylestra-1,3,5(10)-trien-3-ol	1393352.94	1399823.53	1452000.00
1^-Acetoxychavicol acetate	21979.41	18240.00	17228.24
1^-Acetoxyeugenol acetate	989058.82	711705.88	938823.53
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	26435294.12	25852941.18	26223529.41
1-Aminocyclopropane-1-carboxylate_1	41682352.94	33082352.94	39482352.94
1-Aminocyclopropane-1-carboxylate_2	3708823.53	4046470.59	4417647.06
1-Dehydro-9-fluoro-11-oxotestololactone	628600.00	67254.38	195966.47
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	2593529.41	2826470.59	2606470.59
1-Methyladenosine	3336470.59	3087647.06	3474705.88
1-Octanal_1	1211176.47	1234117.65	1212941.18
1-Octanal_2	710588.24	724235.29	704176.47
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	3554411.76	3041764.71	3366647.06
1-Oleoylglycerophosphocholine	173244.71	90211.76	155017.65
1-Pyrroline-2-carboxylate_1	4421176.47	4428235.29	4697058.82
1-Pyrroline-2-carboxylate_2	1773000.00	1824176.47	1878235.29
1-Pyrroline-2-carboxylate_3	1613000.00	1555647.06	1486764.71
21,22-Diprenylpaxilline_1	1066241.18	574117.65	613017.65
21,22-Diprenylpaxilline_2	138482.35	90718.82	154588.24
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran...	2524.38	2360.59	2419.38
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid	636170.59	1193635.29	961341.18
2,3-Dihydroxybenzoate	331840.00	419907.14	360873.75
2,3-Dimethylmaleate_1	43911764.71	55164705.88	47800000.00
2,3-Dimethylmaleate_2	937764.71	917100.00	1171411.76
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose	371547.06	399647.06	395411.76
2,5-Dichloro-4-oxohex-2-enedioate	265647058.82	256529411.76	259941176.47
2,5-Dioxopentanoate	361529.41	360411.76	489000.00
2,5-Furandicarboxylate	10488.38	12830.59	20658.24
2,6-Diamino-7-hydroxy-azelaic acid	171240.38	78743.57	316053.57
2-Aceto-2-hydroxybutanoate	4026941.18	6074705.88	4724647.06
2-Amino-1,2-bis(p-chlorophenyl)ethanol	-	2150.00	-
2-Amino-9,10-epoxy-8-oxodecanoic acid_1	10212.94	5967.06	5241.18
2-Amino-9,10-epoxy-8-oxodecanoic acid_2	6798.82	3143.53	4064.12
2-Aminomuconate	1523764.71	1510000.00	1329470.59
2-Aminomuconate semialdehyde	485129.41	498411.76	462705.88
2-Aminophenol_1	1374941.18	1728588.24	1872235.29
2-Aminophenol_2	1049588.24	773270.59	1347976.47
2-(Biaryl)carbapenems	440411.76	454117.65	473235.29
2^-Dehydrokanamycin A	3048.00	2326.67	1193.75
2^-DEOXYGUANOSINE	4187352.94	6004117.65	7166647.06
2-Ethylhexyl phthalate_1	5354705.88	5336470.59	5158823.53
2-Ethylhexyl phthalate_2	697117.65	666529.41	676235.29
2-Ethylhexyl phthalate_3	263723.53	240682.35	314888.24
2-Furoate_1	1922823.53	2304352.94	2207823.53
2-Furoate_2	1457764.71	1312000.00	2852288.24
2-Hydroxy-1,4-benzoquinone	2482529.41	2177823.53	2329411.76
2-Hydroxy-2,4-pentadienoate_1	14868235.29	20029411.76	19272941.18
2-Hydroxy-2,4-pentadienoate_2	396517.65	632058.82	534647.06
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine	893941.18	772664.71	1034795.29
2-Hydroxycyclohexan-1-one_1	2555294.12	2551764.71	2536470.59
2-Hydroxycyclohexan-1-one_2	503411.76	479882.35	540647.06
2-Hydroxycyclohexan-1-one_3	383000.00	440411.76	391941.18
2-Hydroxymethylclavam_1	33082352.94	36541176.47	34435294.12
2-Hydroxymethylclavam_2	7911764.71	5942941.18	7622352.94
2-Hydroxypyridine	463577.65	912711.76	739687.65
2-(Methylthio)ethanesulfonate	43252.35	30911.18	43985.29
2-Naphthylamine_1	12348823.53	14300000.00	13161176.47
2-Naphthylamine_2	1146588.24	1105411.76	1143235.29
2-Oxobutanoate_1	17370588.24	21817647.06	19329411.76
2-Oxobutanoate_2	3390588.24	2989411.76	3271764.71
2-Oxooctadecanoic acid_1	2747294.12	1946705.88	2299823.53
2-Oxooctadecanoic acid_2	2272352.94	1755294.12	2107058.82
2-Phenylacetamide_1	27135294.12	27829411.76	27788235.29
2-Phenylacetamide_2	298123.53	132486.47	253070.00
3-(2-Hydroxyphenyl)propanoate_1	4290000.00	3935294.12	3872352.94
3-(2-Hydroxyphenyl)propanoate_2	264198.24	30593.53	270016.47
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]...	1944705.88	1918823.53	1882941.18
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]...	116858.82	113217.65	146588.24
3,3^-Dimethylbisphenol A	486922.35	379294.12	444317.65
3,4-Dihydroxy-L-phenylalanine_1	1570117.65	1069529.41	1674823.53
3,4-Dihydroxy-L-phenylalanine_2	290968.24	120395.88	225091.76
3,4-Dihydroxymandelate_1	92186.43	646237.33	83244.00
3,4-Dihydroxymandelate_2	135604.44	238116.36	108707.00
3,4-Dihydroxyphthalate	377270.59	845911.76	1078491.76
3,4-Methylenedioxymethamphetamine	29894117.65	29170588.24	29647058.82
3-AMINO-4-HYDROXYBENZOIC ACID	125694.12	89670.59	90529.41
3-Aminopropanesulfonate	25161.18	25498.82	74323.53
(3-Arylcarbonyl)-alanine	2982352.94	2348235.29	2482941.18
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amin...	1691220.00	1852.50	302000.00
3-Buten-1-amine	113405882.35	118717647.06	120458823.53
3-Butylidene-7-hydroxyphthalide	1454705.88	1363529.41	1302941.18
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	88652941.18	86800000.00	88788235.29
3-(Dimethylamino)propyl benzoate_1	1533647.06	1512647.06	1419352.94
3-(Dimethylamino)propyl benzoate_2	423123.53	264511.76	603570.59
3-(Dimethylamino)propyl benzoate_3	134505.88	142064.71	98212.35
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	392505.88	729388.24	719311.76
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	177435.88	88817.06	90796.47
3-Fluoro-cis,cis-muconate	523741.76	561603.53	510398.24
3-Hydroxyhexobarbital	1640.00	1826.67	1772.86
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1	105164.71	93970.59	88688.24
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2	108876.47	135617.65	100205.88
3-Isopropylcatechol_1	165411.76	151705.88	154147.06
3-Isopropylcatechol_2	105958.24	95988.24	184011.76
3-Mercaptolactate	464305.88	544529.41	542764.71
3-Methyl-2-oxobutanoic acid_1	55788235.29	64205882.35	58094117.65
3-Methyl-2-oxobutanoic acid_2	2131470.59	3838117.65	3408764.71
3-METHYLADENINE	180614.71	267950.00	551826.47
3-Methyldioxyindole	2103371.18	943066.47	1730037.65
3-Methyleneoxindole_1	8337647.06	6467647.06	8262352.94
3-Methyleneoxindole_2	8569411.76	5238235.29	8025294.12
3-Methyleneoxindole_3	581276.47	670847.06	876647.06
3-Methylguanine_1	2638235.29	2887058.82	3367647.06
3-Methylguanine_2	132046.47	127029.41	143217.65
3-(Methylthio)propanoate	975158.82	346870.59	947470.59
3-Oxalomalate	129264.71	168617.65	125770.59
3-Oxo-5beta-cholanate_1	223835.29	199069.41	224323.53
3-Oxo-5beta-cholanate_2	149903.53	138205.88	116729.41
3-Oxododecanoic acid_1	541000.00	514647.06	514000.00
3-Oxododecanoic acid_2	552882.35	306970.59	449058.82
3-Oxohexobarbital	1880.00	2460.00	1950.00
(3S,5S)-Carbapenam-3-carboxylic acid	262676.47	259588.24	306447.06
3-Sulfocatechol	1997705.88	2197058.82	2408235.29
3-tert-Butyl-5-methylcatechol	228764.71	207235.29	212652.94
3-UREIDOPROPIONATE	373570.59	424352.94	405941.18
4,8-Dihydroxyquinoline_1	604411.76	487294.12	542823.53
4,8-Dihydroxyquinoline_2	245229.41	303617.65	2073117.65
4-ACETAMIDOBUTANOATE	473235.29	348235.29	439052.94
4-Acetamidobutanoate_1	32918823.53	15504294.12	28290588.24
4-Acetamidobutanoate_2	3878823.53	3359058.82	3922941.18
4-Acetamidobutanoate_3	3405294.12	2785882.35	3002941.18
4-Acetamidobutanoate_4	1180352.94	791705.88	1085764.71
4a-Hydroxytetrahydrobiopterin	33731.88	130036.47	27614.12
4-Amino-1-piperidinecarboxylic acid	1504882.35	687494.12	1356058.82
4-Amino-2-hydroxylamino-6-nitrotoluene	6057058.82	4576647.06	5815235.29
4-Aminobiphenyl	1307411.76	1187529.41	1217000.00
4-AMINOBUTANOATE	42147058.82	47282352.94	47400000.00
4-Aminobutyraldehyde_1	3750000.00	3584705.88	3769411.76
4-Aminobutyraldehyde_2	2079764.71	1462529.41	1904000.00
4-Carboxy-4-hydroxy-2-oxoadipate	621411.76	607823.53	566000.00
4-Chloroacetanilide	25793.12	47794.38	93275.29
4-Dodecylphenol_1	2007588.24	966764.71	1763058.82
4-Dodecylphenol_2	456776.47	524529.41	363752.94
4-Fluorocyclohexadiene-cis,cis-1,2-diol	5403529.41	5379411.76	5707647.06
4-Fluoro-L-threonine	2204.00	2603.33	1980.00
4-Guanidinobutanal	48029411.76	33135294.12	43652941.18
4-Guanidinobutanoate	6240588.24	7140000.00	6224705.88
4-GUANIDINOBUTANOATE	3458823.53	5292352.94	5622941.18
4-Hexyloxyphenol	547941.18	510176.47	884823.53
4-Hydroxy-2-butynal_1	38547058.82	48511764.71	41323529.41
4-Hydroxy-2-butynal_2	4028235.29	3471764.71	3957058.82
4-Hydroxy-2-quinolinecarboxylic acid	550352.94	597058.82	562000.00
4-Hydroxybutanoic acid_1	3733823.53	1666529.41	2759294.12
4-Hydroxybutanoic acid_2	273947.06	635294.12	351352.94
4-HYDROXY-L-PHENYLGLYCINE	765647.06	1172588.24	815647.06
4-Hydroxyphenylacetate	231352.94	340470.59	233270.59
4-IMIDAZOLEACETIC ACID	1077176.47	1119470.59	1119529.41
4-Imidazolone-5-propanoate	2025823.53	2398764.71	2372705.88
4-Maleylacetoacetate	1869588.24	2893529.41	2790000.00
4-Methyl-2-oxopentanoate	1640529.41	1720588.24	1834705.88
4-Methylene-L-glutamate	253352.94	421235.29	417805.88
4-Methylene-L-glutamine_1	8390000.00	6517647.06	6863529.41
4-Methylene-L-glutamine_2	4990000.00	6688235.29	6969411.76
4-Methylene-L-glutamine_3	492882.35	323670.59	493294.12
4-Oxoproline_1	57817647.06	60364705.88	60105882.35
4-Oxoproline_2	4517058.82	4396764.71	5737058.82
4-Pyridoxate	251670.59	234352.94	271882.35
4-Vinylcyclohexene_1	1138235.29	1153529.41	1143529.41
4-Vinylcyclohexene_2	229747.06	272647.06	256764.71
4-Vinylcyclohexene_3	207647.06	223529.41	199629.41
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid	3203235.29	2268058.82	2724294.12
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1	3119588.24	3236823.53	2867941.18
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2	602776.47	586588.24	557352.94
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3	450370.59	370170.59	395109.41
5-(2-Hydroxyethyl)-4-methylthiazole_1	1310.00	9270.00	622671.80
5-(2-Hydroxyethyl)-4-methylthiazole_2	40674.29	392164.00	2145365.71
5,6-Dihydrothymine_1	32311764.71	34970588.24	34529411.76
5,6-Dihydrothymine_2	5618823.53	5512941.18	5552352.94
5,6-Dihydrothymine_3	1675411.76	1418764.71	1790823.53
5,6-Dihydrouracil	2337882.35	2800117.65	3646882.35
5,6-DIHYDROURACIL	5437058.82	6005882.35	5535294.12
5-Acetamidopentanoate_1	8422941.18	8183529.41	8868823.53
5-Acetamidopentanoate_2	5323529.41	4222352.94	4590588.24
5-Acetamidopentanoate_3	3194411.76	3302941.18	3299117.65
5-Acetamidopentanoate_4	2932764.71	1933294.12	2667941.18
5-Acetamidopentanoate_5	1138352.94	963647.06	1289235.29
5-Acetamidopentanoate_6	448170.59	309970.59	372252.94
5-Acetamidopentanoate_7	536346.47	332088.24	247594.12
5-Aminolevulinate_1	116541176.47	108671176.47	129948823.53
5-Aminolevulinate_2	21905294.12	16379411.76	29391529.41
5-Aminolevulinate_3	699235.29	1122529.41	2761117.65
5-Aminolevulinate_4	491058.82	572723.53	559605.88
5-AMINOLEVULINIC ACID	5310588.24	7240588.24	6168235.29
5-AMINOPENTANOATE	1323529411.76	1378235294.12	1393176470.59
5beta-Scymnol sulfate	171475.33	59164.71	63830.00
5-exo-Hydroxy-1,2-campholide	224764.71	231741.18	234905.88
5-Guanidino-3-methyl-2-oxopentanoate	4142941.18	2038882.35	4017647.06
5-Hydroxyindoleacetate	1336352.94	1341588.24	1399294.12
5-Hydroxyindoleacetylglycine	351429.41	970323.53	936676.47
5-Hydroxyisourate_1	983588.24	1204058.82	1049235.29
5-Hydroxyisourate_2	2885.94	2247.06	2936.71
5-Hydroxy-L-tryptophan_1	8005882.35	8370000.00	11332352.94
5-Hydroxy-L-tryptophan_2	7330000.00	5222352.94	7012352.94
5-Hydroxy-L-tryptophan_3	4557058.82	4215294.12	5949411.76
5-Hydroxy-L-tryptophan_4	1245.00	1460.00	-
5^-Methylthioadenosine	2920.00	2250.00	3963.33
5-Methylthio-D-ribose	1140647.06	1290117.65	1269882.35
5-O-Methyl-myo-inositol	67948811.76	51961294.12	50423000.00
5-Oxoavermectin ^^1a^^ aglycone	232588.24	211194.12	234158.82
5-OXO-L-PROLINE	54323529.41	62211764.71	66376470.59
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...	1972352.94	1832352.94	1850588.24
5-Ureido-4-imidazole carboxylate	853500.00	958058.82	5064117.65
5-Valerolactone_1	1794529.41	2437647.06	2136470.59
5-Valerolactone_2	1484823.53	1399764.71	1549235.29
5-Valerolactone_3	631823.53	922235.29	687947.06
6-DEOXY-L-GALACTOSE	73676470.59	74264705.88	74429411.76
6-endo-Hydroxycineole_1	5612352.94	5787058.82	5683529.41
6-endo-Hydroxycineole_2	887588.24	840823.53	908235.29
6-Hydroxyprotopine	-	-	1570.00
6-Hydroxypseudooxynicotine	79723.00	1363.33	1335.83
6-Methoxymellein	367231.18	162883.53	337111.76
6-Methylmercaptopurine	138001.18	320200.00	393464.71
(6S,9R)-Vomifoliol	378394.12	236758.82	358823.53
(6Z,9Z,12Z)-Octadecatrienoic acid_1	3634176.47	1812764.71	2972647.06
(6Z,9Z,12Z)-Octadecatrienoic acid_2	1175235.29	859294.12	1059294.12
7-Dehydrodesmosterol	416711.76	300794.12	1484323.53
8-Amino-7-oxononanoate_1	3001352.94	2170588.24	2831352.94
8-Amino-7-oxononanoate_2	856941.18	782764.71	823882.35
8-Amino-7-oxononanoate_3	274529.41	320764.71	423176.47
8-Hydroxyalanylclavam	30365.00	28490.00	8145.00
(8Z,11Z,14Z)-Icosatrienoic acid	261296.47	108085.88	148670.59
9,12,13-TriHOME_1	3614705.88	3412941.18	3604705.88
9,12,13-TriHOME_2	2851764.71	2662352.94	2805882.35
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione	2217000.00	427647.06	1004529.41
9-Oxononanoic acid	3468.82	3480.59	3067.65
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1	2554705.88	1975294.12	2102352.94
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2	1195588.24	1083000.00	968411.76
(9Z)-Hexadecenoic acid_1	536941.18	437647.06	468117.65
(9Z)-Hexadecenoic acid_2	1406058.82	401823.53	655941.18
(9Z)-Hexadecenoic acid_3	320470.59	182300.00	250741.18
(9Z)-Octadecenoic acid	242294.12	186323.53	329717.65
Abietate	384641.18	243947.06	275052.94
Abscisate_1	789352.94	495022.94	650947.06
Abscisate_2	2081.24	2313.47	2507.29
Acetone cyanohydrin_1	20429411.76	16692941.18	17583529.41
Acetone cyanohydrin_2	2713529.41	2475882.35	2418823.53
Acetone cyanohydrin_3	1955470.59	1728823.53	1800235.29
Acetylcysteine	2031294.12	964100.00	1613705.88
Acridine	229047.06	180892.94	153111.76
Adenine	321517.65	450029.41	503529.41
ADENINE	990347.06	1450411.76	1552647.06
Adifoline	585941.18	469705.88	564411.76
Allamandin	-	-	-
ALLANTOIN	5762352.94	5714705.88	6904117.65
Allophanic acid methyl ester	180535.29	164829.41	216923.53
ALPHA-AMINOADIPATE	1685470.59	1440235.29	1528823.53
alpha,beta-Didehydrotryptophan	2057058.82	2282352.94	2966470.59
alpha-EMTBL_1	182276.47	90310.59	186134.12
alpha-EMTBL_2	141547.06	53079.41	126560.00
alpha-Erythroidine	707129.41	530370.59	476064.71
alpha-Oxo-benzeneacetic acid	891976.47	805394.12	611994.12
alpha-Sinensal_1	3974117.65	3855882.35	3770000.00
alpha-Sinensal_2	638882.35	762000.00	635235.29
alpha-Sinensal_3	328235.29	314764.71	323411.76
alpha-Sinensal_4	215000.00	197247.06	209352.94
alpha-Tocopherol	2314074.29	420899.41	1208110.67
AMPA_1	2252411.76	3000588.24	3205117.65
AMPA_2	135176.47	99776.47	96917.65
Ampicillin	6760000.00	2490.00	-
Ancitabin hydrochloride	10410588.24	10427647.06	9665294.12
Androsterone glucuronide	9656.00	17039.00	1090.00
Aniflorine	1632470.59	1484176.47	1461352.94
Anthranilate	6401176.47	5441176.47	5370000.00
Apiole_1	8059411.76	7305588.24	9550941.18
Apiole_2	737764.71	665294.12	691705.88
Apoatropine_1	84021.67	1850.00	9780.00
Apoatropine_2	1403261.00	1681.43	52000.00
Apraclonidine	2970.00	1415.00	5163.33
Arachidonate	3175823.53	2155176.47	2509352.94
Arbutin	193493.00	20131.70	34475.00
Aristolochic acid	2738235.29	3522941.18	3424705.88
Aromatic aldehyde_1	3299857.65	1308061.76	2485070.59
Aromatic aldehyde_2	1417882.35	1447058.82	1521176.47
Aromatic aldehyde_3	518529.41	501764.71	618117.65
Aromatic aldehyde_4	438529.41	366058.82	471764.71
Aromatic aldehyde_5	159777.06	143170.59	215058.82
Austrobailignan 1	20794117.65	21541176.47	20723529.41
Azelaic acid	525000.00	553647.06	557352.94
Bakkenolide A	4756470.59	4634117.65	4503529.41
Batrachotoxin	520438.24	576352.94	581200.00
Beclomethasone	84696.47	395547.06	49847.06
Benzoate	4651176.47	4592941.18	4690000.00
Benzofuran_1	2521176.47	2141176.47	2492352.94
Benzofuran_2	1112647.06	1259588.24	1092176.47
Benzyl alcohol	209717.65	211635.29	218764.71
Benzyl nicotinate	1242.50	1200.00	1120.00
Bergaptol_1	1458882.35	1446352.94	1563235.29
Bergaptol_2	19429.17	7570.00	59185.82
BETA-ALANINE	60605882.35	76858823.53	62570588.24
beta-Carboline_1	19772352.94	16952352.94	18120000.00
beta-Carboline_2	2207647.06	2667647.06	2592352.94
beta-Carboline_3	634223.53	532176.47	788176.47
beta-Carboline_4	581529.41	547529.41	617823.53
BETAINE	437882352.94	473764705.88	469941176.47
Betamethasone	1366000.00	1286058.82	1280411.76
Bilirubin	853790.00	764047.06	1084523.53
Bis(2-chloroethyl)ether_1	530694.12	402235.29	515705.88
Bis(2-chloroethyl)ether_2	98847.06	25811.18	95030.59
Bombykal	362761.76	72964.71	125955.88
Boschnialactone_1	229058.82	287588.24	281117.65
Boschnialactone_2	261629.41	276235.29	272470.59
Botrydial_1	4294705.88	4100000.00	4204705.88
Botrydial_2	316470.59	292352.94	311294.12
Buddledin A_1	1949411.76	1827647.06	1917647.06
Buddledin A_2	1819411.76	1720588.24	1670588.24
Buddledin A_3	1730000.00	1638823.53	1677058.82
Buprenorphine	9492647.06	6506470.59	6310588.24
Burseran	599058.82	487764.71	601764.71
C20913	349294.12	309941.18	348705.88
Calcitriol	242055.33	116285.00	39762.00
Calcium salicylate	7002352.94	9442352.94	6294117.65
Callytriol C	6317176.47	5139470.59	6596294.12
Calystegin B2_1	5089823.53	2568823.53	4444705.88
Calystegin B2_2	581941.18	537235.29	560447.06
Calystegin B2_3	191804.12	112295.88	193421.76
Calystegin B2_4	22093.53	40797.65	91082.94
(+)-Camphor_1	700888.24	279241.18	566564.71
(+)-Camphor_2	345805.88	265617.65	299329.41
(+)-Camphor_3	147105.88	152947.06	131558.82
Carbamazepine	2080.00	-	1622.50
Carbamorph	10289.29	5928.00	2129.38
Carpacin	356721.76	25616.47	70194.35
Castanospermine_1	3932764.71	2667176.47	3407647.06
Castanospermine_2	504411.76	422605.88	439276.47
Castanospermine_3	51530.59	105147.06	60541.18
Catechol_1	7073529.41	9080588.24	7844117.65
Catechol_2	290788.24	459388.24	551864.71
CCCP	3208823.53	3896470.59	2978823.53
Cerulenin	227627.06	207976.47	241629.41
Chloromethiuron	13594117.65	13847058.82	13600000.00
Chrysoidine free base	37641.18	31500.00	38887.06
Cidofovir	3305882.35	3100588.24	2992941.18
Cilastatin	576134.71	108554.71	210129.41
Cinnamaldehyde	86041.76	142982.35	87677.06
cis-1,2-Dihydro-3-ethylcatechol_1	325705.88	329882.35	388529.41
cis-1,2-Dihydro-3-ethylcatechol_2	130594.12	121635.29	150182.35
cis-1,2-Dihydronaphthalene-1,2-diol_1	494352.94	520882.35	450294.12
cis-1,2-Dihydronaphthalene-1,2-diol_2	98405.88	89023.53	89517.65
cis-1,2-Dihydronaphthalene-1,2-diol_3	73582.35	78917.65	88523.53
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate	4437.06	4068.24	3984.71
cis-2-Carboxycyclohexyl-acetic acid_1	141529.41	132323.53	102441.18
cis-2-Carboxycyclohexyl-acetic acid_2	123441.18	130752.94	113300.00
cis-Aconitate	20375.29	32922.94	39715.88
CITRATE	60400.59	76135.29	106623.53
CITRULLINE	25000000.00	19458823.53	19672941.18
CMN 131	734529.41	677117.65	687823.53
Coenzyme B	913941.18	1217882.35	1322411.76
(-)-Columbianetin	2045.00	1763.33	1841.67
Coniferyl alcohol_1	1785470.59	1641411.76	2091823.53
Coniferyl alcohol_2	285341.18	146549.41	176982.35
Corticosterone	73599.41	139036.18	65013.53
Cortisol	6587647.06	5810000.00	6208235.29
Cortisone	844941.18	778294.12	1746470.59
Coumarin_1	1985882.35	1951176.47	1974294.12
Coumarin_2	39695.29	37807.65	48641.76
Creatine	1122294.12	1135117.65	1015411.76
CREATINE	359470588.24	513411764.71	379176470.59
CREATININE	624764705.88	666764705.88	647235294.12
Crotanecine_1	2344294.12	3004941.18	3727058.82
Crotanecine_2	3838.82	3115.29	20957.65
Cucurbic acid_1	336058.82	319529.41	332058.82
Cucurbic acid_2	248352.94	245058.82	234829.41
Cucurbic acid_3	112047.06	112964.71	119547.06
Cucurbitine_1	13899411.76	8817058.82	12858235.29
Cucurbitine_2	7622352.94	3932352.94	7733529.41
Cumene	497705.88	557035.29	618929.41
Cycasin_1	7255.88	4803.65	14188.12
Cycasin_2	3196.47	2357.06	2801.18
Cycloheptanecarboxylic acid_1	319000.00	387823.53	341058.82
Cycloheptanecarboxylic acid_2	241082.35	422464.71	240058.82
Cycloheptanecarboxylic acid_3	192529.41	239658.82	208294.12
Cyclohexane-1,3-dione_1	9134705.88	9208823.53	9377647.06
Cyclohexane-1,3-dione_2	4501176.47	3236470.59	6517647.06
Cyclohexane-1,3-dione_3	617352.94	511529.41	545823.53
Cyclohexanone	529776.47	546452.94	511011.76
Cyclohexylamine_1	260705.88	335823.53	357235.29
Cyclohexylamine_2	316941.18	400929.41	425935.29
Cyphenothrin	2399823.53	433576.47	1149647.06
CYTIDINE	1079252.94	2302617.65	4093600.00
Cytosine_1	301411.76	282270.59	321176.47
Cytosine_2	1055441.18	2489182.35	3892752.94
Daimuron	48893.29	225473.65	17538.82
D-Alanyl-D-alanine_1	337805.29	109101.18	454937.50
D-Alanyl-D-alanine_2	290652.94	270382.35	408882.35
D-(-)-ARABINOSE	7154705.88	7941764.71	7375294.12
Debrisoquin	201448.24	150379.33	2292.35
Deethylatrazine	164676470.59	153529411.76	160235294.12
Dehydroalanine_1	3258235.29	3600000.00	3747647.06
Dehydroalanine_2	889000.00	698411.76	728823.53
Dehydroalanine_3	1047717.65	376017.65	756805.88
Dehydroalanine_4	215705.88	268400.00	313717.65
delta-Guanidinovaleric acid_1	1563941.18	1623647.06	1345470.59
delta-Guanidinovaleric acid_2	111703.53	101599.41	157021.76
DEOXYCARNITINE	40982352.94	49035294.12	52235294.12
Deoxycytidine	642606.47	696411.76	390094.12
Deoxyvasicinone	3542941.18	2261588.24	3259588.24
D-GLUCONO-1,5-LACTONE	2714411.76	1599764.71	2006470.59
D-Glucosamine	205310.59	315262.94	568332.94
D-(+)-GLUCOSAMINE	3229411.76	4091764.71	3398235.29
D-Glucose_1	45865217.65	47332823.53	40673176.47
D-Glucose_2	22129294.12	17613588.24	14421058.82
Diacetyl_1	25785882.35	13308235.29	19945294.12
Diacetyl_2	3444117.65	4801176.47	3878235.29
Diacetyl_3	944882.35	1305352.94	1054470.59
Diethanolamine	837000.00	999058.82	863235.29
Diethyl 2-methyl-3-oxosuccinate	130935.29	172458.82	211870.59
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1	3141.76	3460.62	3790.00
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2	4136.00	8798.82	15992.86
Diethylene glycol_1	1605294.12	1622941.18	1421176.47
Diethylene glycol_2	201647.06	217470.59	200117.65
Diethyl sulfate	310862.94	147168.75	186716.25
Diethylthiophosphoric acid	925000.00	1018705.88	841176.47
Digallate	377490.00	327027.78	239143.33
Dihydro-4,4-dimethyl-2,3-furandione	36035294.12	39741176.47	39876470.59
Dihydroclavaminic acid_1	434000.00	569058.82	504411.76
Dihydroclavaminic acid_2	40588.24	26493.53	40009.24
Diisopropyl phosphate	346829.41	283129.41	238294.12
Diisopropyl phthalate_1	4139882.35	3450588.24	4499764.71
Diisopropyl phthalate_2	4351.76	3626.47	3281.76
Dikegulac	277223.53	223211.76	339470.59
Diltiazem	6473.33	5063.75	4406.00
Dimethachlor_1	1444764.71	1101411.76	1200000.00
Dimethachlor_2	2541.43	2236.00	1904.44
Dimethylcarbamoyl chloride	827705.88	1116705.88	833294.12
Dimethylenetriurea	3529.06	3034.50	4806.67
Dinotefuran	3350000.00	3360000.00	3085294.12
Diphenhydramine	2819485.00	1460.00	21088.57
Distigmine	6652.50	6275.00	-
D-Lysopine_1	328135.29	179535.29	304588.24
D-Lysopine_2	57025.88	33395.29	51985.88
D-Lysopine_3	12305.71	13216.88	30822.31
D-Octopine_1	223552.35	55057.65	59470.59
D-Octopine_2	18724.67	55354.12	48100.62
Dodecanamide	416941176.47	414823529.41	414352941.18
Dodemorph	7938235.29	8086470.59	7661764.71
D-Ribose	994823.53	662941.18	683235.29
D-SORBITOL	3705117.65	4762235.29	1967411.76
dUMP	7779411.76	10147647.06	7331176.47
D-Xylonate	1600117.06	1071476.47	1185007.06
(E)-4-(Trimethylammonio)but-2-enoate_1	231011764.71	178776470.59	214970588.24
(E)-4-(Trimethylammonio)but-2-enoate_2	4501588.24	3384117.65	3940000.00
(E)-4-(Trimethylammonio)but-2-enoate_3	3173588.24	2731764.71	2905294.12
(E)-4-(Trimethylammonio)but-2-enoate_4	960235.29	952588.24	786588.24
(E)-4-(Trimethylammonio)but-2-enoate_5	111694.12	349888.24	4935802.94
Ectoine	3177647.06	2609470.59	3303000.00
EDTA	3474.00	3660.00	5618.57
Emedastine	4400.00	1747.50	1300.00
epsilon-Caprolactam_1	17470588.24	18411764.71	17729411.76
epsilon-Caprolactam_2	2704117.65	2328235.29	2418823.53
Estradiol-17beta 3-sulfate	13608.24	14049.41	10144.71
Ethosuximide_1	1284176.47	1108411.76	1232882.35
Ethosuximide_2	1127235.29	932058.82	978764.71
Ethosuximide_3	669364.71	761882.35	724588.24
Ethosuximide_4	369347.06	371070.59	370029.41
Ethosuximide_5	292588.24	260152.94	319458.82
Ethyl cinnamate	3275.29	2818.24	4485.29
Ethyl tiglate	197900.00	155700.00	181811.76
Etidronic acid	1150235.29	761058.82	1069588.24
Etodolac	5035058.82	5635294.12	4896470.59
Etomidate	387868.24	290341.18	596817.65
Euxanthone	28029411.76	31976470.59	26358823.53
Fagomine_1	11465882.35	7324117.65	12093529.41
Fagomine_2	8450000.00	9192352.94	8981176.47
Fagomine_3	7000588.24	5947058.82	7708823.53
Fagomine_4	4152941.18	2608352.94	4302352.94
Fasoracetam	2846000.00	2347647.06	3157058.82
Fenoldopam	1651805.88	1408147.06	1726270.59
Fenpropathrin	1814337.65	68782.35	278358.82
Feruloylputrescine	996356.47	561870.59	1160574.12
Fexofenadine_1	10650411.76	5403058.82	8957294.12
Fexofenadine_2	2970352.94	2450058.82	4748235.29
Fexofenadine_3	2040470.59	1668058.82	1559882.35
Fexofenadine_4	359776.47	640929.41	802576.47
Flumethasone	1390.00	1495.00	1220.00
Fluorene	4902885.88	12062.35	1278622.94
Fuberidazole	650311.76	448182.35	450111.76
Fumarate	697705.88	665470.59	676823.53
Furathiocarb	395911.76	85047.06	165952.94
Furfural diethyl acetal_1	1141882.35	1304823.53	1235588.24
Furfural diethyl acetal_2	156994.12	152123.53	176823.53
Furfuryl alcohol	22288235.29	26617647.06	23647058.82
Furmecyclox	293190.00	140850.00	339561.00
gamma-Coniceine	6688235.29	6345294.12	6252941.18
Glutarate_1	6418235.29	7700588.24	7070000.00
Glutarate_2	1635588.24	1874705.88	1353294.12
Glutarate_3	559176.47	781235.29	711588.24
Glutathione	7998823.53	7711764.71	7743529.41
(-)-Glyceollin I	38822.94	62039.41	105802.35
Glycerol	7211764.71	5515294.12	9663529.41
GLYCEROL	16054705.88	12776470.59	21106470.59
Glycerone_1	538411.76	803647.06	443529.41
Glycerone_2	658000.00	776647.06	707235.29
Glycidyl oleate	337835.29	435317.65	323247.06
Glycine	1455176.47	1557117.65	1338294.12
GLYCINE	3103117.65	3385470.59	3056235.29
Glycocholate	1037135.29	1889223.53	1594117.65
Glycodeoxycholate_1	1861411.76	3743176.47	3321352.94
Glycodeoxycholate_2	379117.65	327958.82	401541.18
Glycyl-leucine_1	502841.18	300481.76	438064.71
Glycyl-leucine_2	330400.00	203558.82	380929.41
Glycyl-leucine_3	166305.88	125898.82	184036.47
Glycyl-leucine_4	112289.41	131605.88	206300.00
Glycyl-leucine_5	94855.88	128131.18	190800.00
Glycyrrhetinate	44785.22	430855.00	13213.15
Guanfacine	-	-	-
GUANIDINOACETATE	4174705.88	4560000.00	4373529.41
GUANINE	4115235.29	5281588.24	5254882.35
GW 1929	1700.00	1153.33	1150.00
Gymnodimine	1074923.53	810235.29	826823.53
Hercynine	374235.29	360588.24	376764.71
Hetacillin	2020780.00	1620.00	-
Hexylamine	11006470.59	10902941.18	10903529.41
Hippurate	19283529.41	21549411.76	131282352.94
Histamine	7610588.24	5232941.18	6875882.35
HISTAMINE	323235.29	368470.59	309882.35
Homogentisate	581799.41	3271115.88	463291.25
Homostachydrine_1	2952941.18	3342352.94	3680588.24
Homostachydrine_2	1378117.65	1421941.18	1675882.35
Homostachydrine_3	236247.06	232011.76	228491.18
Homostachydrine_4	169190.59	250210.59	130188.24
Homostachydrine_5	75272.94	131778.24	937176.47
Hydrocortisone succinate	403713.85	772250.77	258632.00
Hypaphorine	8478235.29	8179294.12	9666470.59
Hypoxanthine	23423529.41	26235294.12	23966470.59
HYPOXANTHINE	69117647.06	67864705.88	57317647.06
Imidacloprid	-	-	-
IMP	-	2330.00	-
Indan-1-ol	203058.82	176494.12	177741.18
Indole_1	1387294.12	1351176.47	1378705.88
Indole_2	528687.06	237114.12	493989.41
Indole_3	330864.71	390129.41	2584117.65
Indole-3-acetaldehyde_1	1316470.59	1343529.41	1306588.24
Indole-3-acetaldehyde_2	2221047.06	458129.41	2140817.65
Indole-3-acetaldehyde_3	295294.12	386411.76	396447.06
Indole-3-acetate_1	11478235.29	11141176.47	12477647.06
Indole-3-acetate_2	508235.29	497776.47	666529.41
Indole_4	202464.71	121564.71	193117.65
Indole-5,6-quinone	1175582.35	837570.59	954411.76
Indolelactate_1	3457058.82	3634705.88	3895294.12
Indolelactate_2	2313529.41	3141764.71	3354823.53
Indospicine_1	2231235.29	2301529.41	2366823.53
Indospicine_2	144856.25	162185.33	266830.00
Inosine	8354705.88	9075294.12	8468823.53
Isobutyronitrile_1	8430000.00	10616470.59	9162352.94
Isobutyronitrile_2	2005823.53	1461882.35	1914411.76
Isobutyronitrile_3	285458.82	123986.47	171245.29
Isoquinoline_1	2094705.88	2103529.41	2057647.06
Isoquinoline_2	2281641.18	1998737.06	2193641.18
Isoquinoline_3	1362411.76	1365647.06	1506176.47
Isoquinoline_4	970588.24	998000.00	843823.53
Isoquinoline_5	437235.29	390000.00	459235.29
Isoquinoline_6	339235.29	346764.71	417370.59
Isoquinoline_7	194500.00	249511.76	250111.76
Isovalerylcarnitine	3631176.47	3845882.35	5241176.47
Istamycin C1	2090000.00	1886882.35	1683941.18
Janthitrem C_1	1506300.00	1481705.88	1674529.41
Janthitrem C_2	145310.00	81694.12	140900.00
(-)-Jasmonic acid	128548.24	73377.65	367236.47
L-2,3-Dihydrodipicolinate	21619.33	1694489.41	276105.88
L-2,4-Diaminobutanoate	726882.35	493270.59	875823.53
L-2-Aminoadipate_1	4820588.24	3178235.29	2116882.35
L-2-Aminoadipate_2	1457823.53	1754117.65	1726529.41
L-Alanine	4883529.41	5970000.00	4905882.35
L-Albizziine_1	1188000.00	1237705.88	1239235.29
L-Albizziine_2	394235.29	280235.29	460652.94
L-ALLOTHREONINE	6176470.59	6918235.29	8043529.41
L-ARGININE	62688235.29	63588235.29	62076470.59
L-Asparagine	125467.65	69216.41	30012.94
L-ASPARAGINE	3138235.29	3251764.71	2871176.47
L-Aspartate	481764.71	497294.12	424529.41
L-Aspartate 4-semialdehyde_1	5825705.88	5795000.00	5054058.82
L-Aspartate 4-semialdehyde_2	4449411.76	5052352.94	4215882.35
L-Aspartate 4-semialdehyde_3	649576.47	456600.00	369547.06
L-CARNITINE	460294117.65	496058823.53	529117647.06
L-Cysteate	6700588.24	7623529.41	6223529.41
L-CYSTEIC ACID	759176.47	638352.94	748117.65
LEUCINE	1732941176.47	1629411764.71	1737058823.53
Levetiracetam_1	6575294.12	4775882.35	5482941.18
Levetiracetam_2	5252941.18	4047058.82	4808823.53
Levetiracetam_3	548141.18	542511.76	528358.82
Levetiracetam_4	887694.12	388971.76	882382.35
L-Glutamate	164578.82	58252.94	205639.41
L-GLUTAMINE	200294117.65	210176470.59	208764705.88
L-Histidine	5127411.76	3450000.00	4279529.41
L-HISTIDINE	46776470.59	48029411.76	46123529.41
L-Histidinol_1	5683058.82	5017223.53	6589941.18
L-Histidinol_2	490919.41	281311.76	482170.59
Lichenin	38917647.06	45535294.12	41076470.59
(-)-Limonene_1	1245294.12	982588.24	1543117.65
(-)-Limonene_2	333117.65	343117.65	370529.41
(-)-Limonene_3	251523.53	157982.35	207976.47
Linamarin_1	1247529.41	1435705.88	1632058.82
Linamarin_2	455600.00	634400.00	619352.94
Linoleate_1	3956000.00	1962647.06	3526235.29
Linoleate_2	1089352.94	849941.18	961882.35
Linoleate_3	500870.59	178647.06	398647.06
L-ISOLEUCINE	954294117.65	900588235.29	958823529.41
L-Kynurenine	11344117.65	11052352.94	11726470.59
L-Leucine_1	1882405.88	3024270.59	1921764.71
L-Leucine_2	300970.59	35730770.59	330305.88
L-Lysine 1,6-lactam	642882.35	1096529.41	1363117.65
L-Methionine	1595000.00	1673058.82	1493117.65
L-Methionine S-oxide_1	46447058.82	48641176.47	47335294.12
L-Methionine S-oxide_2	416864.71	1166311.18	191988.24
L-Octanoylcarnitine	6642941.18	4013470.59	8176470.59
Lophocerine	1542360.00	198080.75	1229168.57
Lophophorine	741705.88	527411.76	710882.35
L-Phenylalanine	972117647.06	927941176.47	1013529411.76
L-Pipecolate_1	9705294.12	8447058.82	9197647.06
L-Pipecolate_2	2979411.76	2784705.88	3354705.88
L-Pipecolate_3	5605058.82	4375529.41	4883235.29
L-Pipecolate_4	1293235.29	1406235.29	1660588.24
L-PIPECOLIC ACID	89047058.82	116541176.47	107729411.76
L-PROLINE	636941176.47	846058823.53	694764705.88
L-Rhamnose	4577647.06	4580588.24	4665294.12
L-SERINE	6481176.47	6380588.24	6727058.82
L-THREONINE	66994117.65	81311764.71	73623529.41
L-Tryptophan_1	469823529.41	433764705.88	456176470.59
L-Tryptophan_2	154664.71	133264.71	160552.94
L-Tyrosine_1	383529411.76	372588235.29	388294117.65
L-Tyrosine_2	3514117.65	2558000.00	4086176.47
L-Tyrosine_3	293529.41	234529.41	260994.12
L-Tyrosine methyl ester	653564.71	243835.29	633223.53
Lycodine	540635.29	763484.12	517973.33
Maculosin	3974235.29	1616823.53	3050411.76
Maleamate	1000941.18	885294.12	947311.76
Mandelonitrile_1	483117.65	266705.88	393464.71
Mandelonitrile_2	409100.00	423147.06	316400.00
Mannitol_1	247541.18	160452.94	263964.71
Mannitol_2	368205.88	466194.12	168817.65
Mannopine	3847.06	2181.71	4524.12
MANNOSE	796941176.47	915000000.00	819058823.53
Meloxicam	-	-	534.00
(-)-Menthyl acetate_1	1633529.41	1597647.06	1590000.00
(-)-Menthyl acetate_2	1528235.29	1534117.65	1456470.59
(-)-Menthyl acetate_3	311023.53	288888.24	283541.18
Metaxalone	354525.29	536988.24	813491.18
Metformin	193397.50	6010.00	76581.67
Methaphenilene	892352.94	826882.35	921000.00
Methyl 2-diazoacetamidohexonate_1	215921.18	131917.65	288376.47
Methyl 2-diazoacetamidohexonate_2	82723.53	89376.47	91611.76
Methyl 2-diazoacetamidohexonate_3	27571.18	29338.24	23622.35
Methyl acetyl ricinoleate	840688.24	922423.53	665411.76
Methyleugenol_1	1734705.88	1533529.41	1618823.53
Methyleugenol_2	921058.82	1029941.18	953764.71
Methyleugenol_3	198176.47	231941.18	225000.00
Methyleugenol_4	138811.76	155647.06	133988.24
Methylguanidine	481763.75	756290.59	746100.00
Methylimidazoleacetic acid_1	5626588.24	5640764.71	5124941.18
Methylimidazoleacetic acid_2	1013000.00	883235.29	1109352.94
Methylimidazoleacetic acid_3	270594.12	279111.76	271764.71
METHYL INDOLE-3-ACETATE	11716294.12	9869264.71	11010941.18
Metipranolol	228533.33	130766.67	501200.00
Monodehydroascorbate	1694529.41	2029117.65	1678823.53
Montanin A	1102000.00	631588.24	653529.41
Morphine	16330000.00	20264470.59	17630117.65
Murrayanine	5102375.00	2230.00	1050000.00
Myxalamid A	729550.59	944258.24	888162.94
N1-Acetylspermidine	744764.71	940294.12	734529.41
N1-Methyl-2-pyridone-5-carboxamide	16131764.71	19654117.65	20505882.35
N2-Acetyl-L-aminoadipate	154605.88	135811.76	253076.47
N-(2-Methoxyphenyl)-N^-(2-naphtyl)urea	1190.00	-	-
N5-Phenyl-L-glutamine_1	5912705.88	5168352.94	5397518.82
N5-Phenyl-L-glutamine_2	654647.06	217088.24	589588.24
N6-Acetyl-N6-hydroxy-L-lysine	15441176.47	18503529.41	20028823.53
N-(6-Aminohexanoyl)-6-aminohexanoate	1008882.35	532294.12	1012058.82
N6-(delta2-Isopentenyl)-adenine	309823529.41	263411764.71	305882352.94
N6-Methyl-L-lysine	796705.88	1069000.00	825882.35
N-Acetoxy-4-aminobiphenyl	1953.33	1480.17	1380.00
N-ACETYL-D-GALACTOSAMINE	1388294.12	1609941.18	1747352.94
N-Acetyl-D-tryptophan	468729.41	543917.65	812235.29
N-ACETYLGLYCINE	5291764.71	5465882.35	4822941.18
N-Acetylimidazole_1	3755294.12	2187882.35	3248117.65
N-Acetylimidazole_2	850235.29	833529.41	896705.88
N-ACETYL-L-ALANINE	3384117.65	3284352.94	3271705.88
N-Acetyl-L-citrulline	1100470.59	899002.94	1084194.12
N-Acetyl-L-leucine_1	1118941.18	1281352.94	1443529.41
N-Acetyl-L-leucine_2	900738.24	589971.76	924841.18
N-Acetyl-L-leucine_3	302525.29	340794.71	402217.65
N-Acetyl-L-leucine_4	165547.06	187117.65	171329.41
N-Acetyl-L-leucine_5	172694.12	145111.76	152788.24
N-Acetyl-L-phenylalanine	657000.00	772788.24	1163000.00
N-Acetylmethionine	98139.00	42890.77	169319.17
N-Acetylornithine_1	19501176.47	18064705.88	19782352.94
N-Acetylornithine_2	2156600.00	1288941.18	2031058.82
N-Acetylornithine_3	510235.29	294764.71	505058.82
N-Acetylornithine_4	152305.88	183217.65	212664.71
N-(Acetyloxy)benzenamine_1	797711.76	156417.65	208464.71
N-(Acetyloxy)benzenamine_2	3846281.18	70894.12	315375.88
N-Acetylputrescine	250815.83	4009.09	3397.50
N-ACETYLPUTRESCINE	1090852.94	1469705.88	2303882.35
Nalidixic acid_1	3747058.82	5130588.24	5958823.53
Nalidixic acid_2	3140588.24	2136411.76	2451764.71
Nalidixic acid_3	1538588.24	1051352.94	1767058.82
Nalidixic acid_4	635352.94	636935.29	998529.41
Nalidixic acid_5	68791.76	33230.00	98291.76
N-Amidino-L-glutamate	373235.29	240135.29	305247.06
N-Cyclohexylformamide_1	514823.53	361105.88	497235.29
N-Cyclohexylformamide_2	402882.35	342752.94	471941.18
N-Cyclohexylformamide_3	605182.35	443058.82	777900.00
N-Cyclopropylammeline	1454541.88	1350.67	478254.83
Nebularine	2673.33	5023.12	3518.67
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	11064117.65	12557058.82	13119411.76
N-Ethylglycocyamine	270764705.88	247941176.47	252352941.18
N-Ethylmaleimide	1878629.41	1428900.00	1060429.41
Netilmicin	1082176.47	887941.18	873352.94
N-Formimino-L-glutamate	7180000.00	6584705.88	6205882.35
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	232452.94	274011.76	352288.24
N-FORMYLGLYCINE	645176.47	839941.18	617705.88
N-Formylmethionine	3328436.47	1906687.50	2931190.59
N-Heptanoylhomoserine lactone	354858.82	324205.88	292076.47
N-Hydroxy-L-valine	18712941.18	13273529.41	19764117.65
Nicotinamide	1447941.18	1398235.29	1367352.94
NICOTINAMIDE	3899411.76	3610588.24	3674117.65
NICOTINATE	1647647.06	2606529.41	4284647.06
Nicotyrine	3651764.71	3454117.65	3576470.59
N-Isopropylammelide_1	2366647.06	2119764.71	2064176.47
N-Isopropylammelide_2	1195335.29	747469.41	965088.24
N-Isopropylammelide_3	584529.41	933294.12	515117.65
Nitrofurazone_1	947294.12	956411.76	850294.12
Nitrofurazone_2	113988.24	125564.71	106364.71
N-Methyl-2-pyrrolidinone_1	39096470.59	36072352.94	25242941.18
N-Methyl-2-pyrrolidinone_2	2614705.88	2372352.94	2273529.41
N-Methyl-2-pyrrolidinone_3	2750117.65	1930705.88	2725764.71
N-Methyl-2-pyrrolidinone_4	1523176.47	1321176.47	1731470.59
N-Methyl-2-pyrrolidinone_5	648805.88	355482.35	505470.59
N-METHYL-D-ASPARTIC ACID	8091764.71	10335882.35	10420000.00
N-Methyl-N^-nitro-N-nitrosoguanidine	100217.65	115405.88	96411.76
N-Methylpelletierine_1	1278352.94	2598882.35	1547117.65
N-Methylpelletierine_2	669994.12	1534064.71	1776576.47
N,N^-Diacetylhydrazine	5797058.82	2717411.76	5072529.41
N,N-Dimethylhistidine	1478852.94	505388.24	1260623.53
N-Nitrosoguvacoline_1	3228176.47	2498235.29	3311647.06
N-Nitrosoguvacoline_2	1927529.41	1841705.88	1936411.76
N-Nitrosopiperidine_1	26388235.29	17964705.88	23241176.47
N-Nitrosopiperidine_2	792529.41	939647.06	1187176.47
Nona-2,6-dienal	159064.71	171588.24	161170.59
Nonane-4,6-dione	122982.35	150017.65	115541.18
(+)-Norephedrine	2104.12	2679.41	2650.00
N(PAI)-METHYL-L-HISTIDINE	54494117.65	55958823.53	55441176.47
N-Phosphohypotaurocyamine	717176.47	695411.76	787588.24
N-Trimethyl-2-aminoethylphosphonate_1	327058.82	305941.18	325352.94
N-Trimethyl-2-aminoethylphosphonate_2	129158.82	144576.47	140152.94
Nuatigenin	1194823.53	868647.06	900529.41
O-Butanoylcarnitine_1	7161176.47	7602352.94	9458235.29
O-Butanoylcarnitine_2	288322.50	74863.75	73154.71
Octanoic acid	714235.29	620000.00	619823.53
Octylamine	20458823.53	20452941.18	20129411.76
O-Decanoyl-L-carnitine	7418235.29	4300823.53	8544117.65
Oleoylethanolamide	225851.76	69151.76	103445.29
O-Propanoylcarnitine_1	14361764.71	14364117.65	16218235.29
O-Propanoylcarnitine_2	141123.24	49777.65	55752.35
O-Propanoylcarnitine_3	151652.47	27952.67	57107.65
O-Propanoylcarnitine_4	4785.88	3570.59	4721.18
Orcinol	200423.53	216458.82	178635.29
Ornaline	347782.35	295800.00	319247.06
Otonecine_1	5816470.59	8987647.06	6804117.65
Otonecine_2	1078176.47	816058.82	1239823.53
O-Ureido-L-serine	5777.06	4621.76	4717.06
Oxidized Latia luciferin	1538235.29	1788235.29	1550588.24
Pantothenate_1	75641176.47	82288235.29	74941176.47
Pantothenate_2	3581764.71	3792352.94	3451176.47
Paramethadione_1	2318823.53	2721117.65	3121411.76
Paramethadione_2	773235.29	613411.76	780058.82
Paramethadione_3	363823.53	455941.18	301235.29
Paramethadione_4	164035.29	242705.88	168976.47
p-Benzoquinone_1	7079411.76	8742941.18	7668823.53
p-Benzoquinone_2	2027117.65	3098823.53	2915176.47
p-Benzosemiquinone	28977.33	2407.14	14100.71
p-Cumate	7650723.53	3484588.24	3991034.71
Peganine	679164.71	490970.59	592823.53
Penitrem D_1	8541176.47	8542352.94	8800000.00
Penitrem D_2	172888.24	219011.76	274982.35
Pentachloroethane	2548823.53	2581764.71	2678823.53
Pentanamide	13388235.29	9397647.06	9560000.00
Phenacetin	190123.53	345349.41	446311.76
Phendimetrazine_1	3580588.24	3177058.82	3407058.82
Phendimetrazine_2	252882.35	301647.06	264000.00
Phenmetrazine	4671176.47	4420588.24	4111176.47
Phenyl acetate	29259.41	24320.59	41571.76
Phenylacetylglutamine	6404058.82	4482941.18	4331647.06
Phenylhydrazine	3753529.41	4186470.59	4283529.41
Phenylpyruvate	45023529.41	44088235.29	45864705.88
Phosphoagmatine	2155.29	2430.59	3189.33
Phosphodimethylethanolamine	492000.00	353058.82	409470.59
Phthalate	559058.82	540764.71	536176.47
Phytuberin_1	12005882.35	11372941.18	11617647.06
Phytuberin_2	907235.29	853235.29	882529.41
Piperidine_1	157176470.59	144235294.12	157588235.29
Piperidine_2	100094117.65	92735294.12	100870588.24
Piperidione_1	425941.18	515294.12	603352.94
Piperidione_2	197023.53	210070.59	205117.65
Piperidione_3	224870.59	169741.18	257352.94
Piperidione_4	2939.41	2724.71	3524.12
Pirbuterol	1884235.29	1743529.41	2294941.18
Pirimicarb	6376823.53	7757647.06	8018823.53
Porphobilinogen	204752.94	358117.65	328358.82
Precocene II	6785882.35	6743529.41	6562941.18
Prekinamycin	973.00	887.00	1130.00
Prenol	6422.35	4013.53	3227.12
Prenyl caffeate	4231.76	4654.71	3328.24
Propanoate	4054705.88	3281176.47	5499529.41
Propyl cinnamate	9043.53	11559.33	12190.62
Protoanemonin	26088235.29	32352941.18	28358823.53
Pseudopelletierine	1298058.82	1225647.06	1722517.65
Pulcherriminic acid	10463529.41	11880000.00	11782941.18
p-Xylene	8650.00	7335.29	10455.88
Pyridostigmine	1062882.35	1142823.53	961117.65
Pyridoxal	1239470.59	1434235.29	1107411.76
Pyridoxamine_1	3485294.12	3220941.18	3591470.59
Pyridoxamine_2	1418176.47	1769823.53	1934176.47
PYRIDOXINE	480334.71	736657.06	1237770.00
QUINATE_1	181380.00	273358.24	2502294.12
QUINATE_2	136882.35	161276.47	1339882.35
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	88605882.35	81347058.82	82200000.00
Rehmaionoside C	7730.00	4002.00	1195.00
Retronecine	539676.47	456582.35	335847.06
Ripazepam	618635.29	481529.41	646888.24
Rishitin	1411800.00	2105529.41	1801852.94
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1	17852941.18	17454705.88	19541176.47
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2	10278235.29	9043529.41	9441764.71
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3	1760470.59	2291588.24	1915882.35
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4	1627647.06	1234294.12	1411352.94
Saccharin sodium anhydrous_1	1497705.88	1978823.53	1471176.47
Saccharin sodium anhydrous_2	404094.12	462764.71	367588.24
S-Allyl-L-cysteine_1	4107176.47	4757941.18	3230529.41
S-Allyl-L-cysteine_2	1040058.82	1108588.24	1353470.59
S-Allyl-L-cysteine_3	159047.06	160686.47	158401.88
S-Allyl-L-cysteine_4	165943.08	159418.00	107518.89
S-Allyl-L-cysteine_5	4573.64	57266.67	22181.00
SARCOSINE	257552.94	371470.59	269358.82
(S)-ATPA_1	2721176.47	2818823.53	3103529.41
(S)-ATPA_2	65282.35	137044.12	133688.24
Sebacic acid_1	1984235.29	2120294.12	1923882.35
Sebacic acid_2	155105.88	150747.06	159329.41
Sebacic acid_3	5945.29	5376.71	7522.94
Serotonin	681125.00	1458.00	117043.33
Shikimate	8037.06	27246.67	43339.38
Sinapyl alcohol	4260205.29	408735.29	1004717.65
Sodium ortho-phenylphenate	1268405.88	861529.41	479705.88
Sodium sulfate	717000.00	810476.47	521411.76
Sphingosine_1	398411.76	264588.24	281117.65
Sphingosine 1-phosphate	257468.12	192929.41	189900.00
Sphingosine_2	142829.41	107441.18	126835.29
Stovaine_1	744990.00	914169.00	1837470.00
Stovaine_2	129879.17	29245.71	162679.33
Styrene	4663.12	5461.25	3911.76
Suberic acid_1	190529.41	190117.65	183000.00
Suberic acid_2	2654.71	2482.35	108761.76
Suberic acid_3	1944.12	2142.50	2025.00
Succimer	501950.00	265788.24	494852.94
Succinate_1	4157647.06	4428235.29	4302352.94
Succinate_2	580823.53	465352.94	463294.12
Succinic anhydride	534058.82	759176.47	610764.71
Succinimide_1	1532941.18	1544411.76	1417352.94
Succinimide_2	719882.35	679882.35	655823.53
SUCROSE	6870758.82	15497600.00	19900582.35
Sulcatone_1	406000.00	376176.47	387352.94
Sulcatone_2	185388.24	182335.29	185500.00
Sulfacetamide sodium anhydrous	47129411.76	59464705.88	44835294.12
Sulfamethazine	1526470.59	1504705.88	1524705.88
(-)-Sympatol_1	476294.12	448747.06	521529.41
(-)-Sympatol_2	263647.06	252941.18	243329.41
Tabtoxinine-beta-lactam_1	2585070.59	1585588.24	3327282.35
Tabtoxinine-beta-lactam_2	950588.24	746641.18	1070176.47
Tabtoxinine-beta-lactam_3	89258.82	52270.59	116158.24
TAURINE	2679411.76	2991764.71	2748823.53
Taurocyamine	200773.08	340228.18	383517.00
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1	515391.18	291429.41	365405.88
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2	281318.24	89771.18	96446.47
Terpendole E	306746.47	186005.88	206329.41
Terpendole G	1343087.06	477594.12	336794.12
TES	-	-	-
Thiomorpholine 3-carboxylate_1	2041411.76	2766352.94	2148470.59
Thiomorpholine 3-carboxylate_2	201958.82	578825.29	89429.41
Thiomorpholine 3-carboxylate_3	173285.00	273270.00	43153.33
Thymine	427235.29	443352.94	464529.41
THYMINE	246201.18	287125.88	476682.35
Tolmetin sodium	16297647.06	20835294.12	20480588.24
Toluene-cis-dihydrodiol_1	221294.12	227529.41	262000.00
Toluene-cis-dihydrodiol_2	81046.47	164282.35	885523.53
Toluene-cis-dihydrodiol_3	72888.24	94326.47	297441.18
Tolylacetonitrile_1	1735411.76	1658823.53	1705294.12
Tolylacetonitrile_2	199902.35	117005.88	183870.59
Tos-Lys-CH2Cl	48547058.82	45670588.24	47788235.29
TRANS-CINNAMATE	271970.59	363823.53	266823.53
trans-Cinnamate_1	7370000.00	7076470.59	7660588.24
trans-Cinnamate_2	773647.06	799411.76	773470.59
Transfluthrin	3586.67	-	1750.00
Traumatic acid	81294.12	80764.71	86405.88
Tremetone	1317058.82	1335882.35	1261176.47
Trimethylamine N-oxide	29299411.76	32830588.24	44624705.88
Tris(butoxyethyl)phosphate	9806470.59	8887647.06	7891764.71
Tropinone	1495176.47	1420470.59	1240941.18
Trp-P-1	47029411.76	46247058.82	47000000.00
Tussilagine_1	677770.59	674270.59	662829.41
Tussilagine_2	42510.59	71096.47	76222.94
Tussilagine_3	40554.12	58374.71	31853.53
Tyramine_1	2368235.29	2288823.53	2355294.12
Tyramine_2	674529.41	645470.59	621941.18
Uracil	15386470.59	20717647.06	19505882.35
URACIL	1114058.82	1411882.35	1734705.88
URATE	247352941.18	298411764.71	264352941.18
Ureidoacrylate	459050.59	813905.88	643764.71
Uridine_1	3834117.65	4839411.76	4811176.47
Uridine_2	3567647.06	3412941.18	3638823.53
Urocanate_1	1297411.76	1377941.18	928470.59
Urocanate_2	143447.06	188117.65	146211.76
Vanillyl alcohol	52395.29	61129.41	76147.06
Warfarin	4311764.71	4565882.35	4607647.06
Xanthan	3730000.00	3795882.35	3674705.88
Xanthine	6208235.29	7612941.18	6595294.12
XYLITOL	866364.71	1158176.47	1108764.71
ZAPA	1686882.35	1448058.82	1381764.71
Zeatin	1312117.65	1689000.00	1825823.53
Zingerone	44117647.06	39400000.00	40164705.88

Factors:

F1	Treatment :Baseline plasma
F2	Treatment :Plasma after drinking apple juice
F3	Treatment :Plasma after drinking cranberry juice