Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST003002

(Analysis AN004931): Average values per metabolite and experimental factor (Units:nmol/g)

Metabolite structure	F1	F2
10-Aminodecanoic acid	1507.83	2044.20
10-Hydroxymyoporone	703.75	645.91
10-Methylsulfonyldecanamide	10023.90	12280.97
1,1^-[1,12-Dodecanediylbis(oxy)]bisbenzene	951.55	1218.03
1,1,1-Trichloroethane	418155.27	317470.82
1,1,2-Trichloroethane	123150.21	124629.03
11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one	17893.80	13643.46
1,1-Dibutoxybutane	2491.24	3272.96
1,1-Dichloroethane	125615.88	131088.86
11-HETE	11937.94	5187.81
1,1^-Methylenedinaphthalen-2-ol	1295.96	1267.57
1,22-Docosanediol	5961.15	6715.63
1,2,3,3,5-Pentamethyl-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]qu...	2801.96	2637.18
1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-...	43964.28	108416.80
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one	9938.73	10047.41
1,2,5-Trimethyl-1H-pyrrole	490.54	722.41
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one	6670.73	11228.07
1,2-Bis(chloromethoxy)ethane	3554.31	4086.76
1,2-Di-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine	10115.76	17970.18
1,2-Diaminocyclohexane	5379.09	7074.49
1,2-Dichloroethane	60100.95	63812.71
1,2-Dihydro-1,1,6-trimethylnaphthalene	7082.63	13722.56
1,2-Dilauroyl-sn-glycero-3-phospho-sn-glycerol	10944.19	16179.76
12-Hydroxyoctadecanoic acid	13657.41	9795.03
13,14-Dihydro-15-ketotetranorprostaglandin F1alpha	5663.90	8837.18
13,16,19-Docosatrienoic acid	5815.89	5485.92
13^-Carboxy-alpha-tocopherol	1925.42	3232.45
13-Deoxytedanolide	5861.63	8095.43
1,3-Diaminopropane	988.19	1093.48
1,3-Diazaspiro[4.6]undecane-2,4-dione	10034.99	17274.26
1,3-Diisopropylbenzene	2956.82	5088.68
1,3-Dipropyl-8-cyclopentylxanthine	9185.84	7337.63
13-Heptadecyn-1-ol	20177.85	24817.28
13-Hydroxy-9Z,11E-octadecadienoic acid	7605.43	3579.30
13Z-Docosenamide	23430.57	20166.39
(+/-)14,15-EpETrE	26527.32	41376.08
1-((4-amino-2-propylpyrimidin-5-yl)methyl)-2-methylpyridiniu...	27057.52	25332.83
1,4-Naphthoquinone	474.28	517.51
15-Keto-Prostaglandin F2a	5133.68	4535.64
15(S)-latanoprost	2166.16	3135.05
1,6-Dioxacyclohexadecane-7,16-dione	37466.24	52855.96
17beta-Estradiol	4279.01	4925.58
17-Oxodexamethasone	23956.06	46304.85
18beta-Glycyrrhetinic acid	129869.28	99976.38
19(R)-hydroxy PGF2	14007.87	11534.42
1-Acetylpiperidine	17340.63	28801.21
1-Aminocyclohexanecarboxylic acid	25333.21	29127.00
1-aminopentadecane	768590.64	616206.30
(1As,7R,7aS,7bR)-7,7a-dimethyl-1-methylidene-2,6,7,7b-tetrah...	26003.59	46565.09
1-(beta-D-Glucopyranosyloxy)-3-octanone	5270.75	7342.35
1-Ethynylcyclododecanol	7927.99	10936.91
1-Ethynylcyclohexanamine	403.06	369.85
1-Heptanol	97376.13	84658.82
1-Hexadecyl-1H-indole-2,3-dione	1812.88	1464.63
1-Hexanethiol	1087.57	1028.94
1H-Indazole-3-carboxamide,N-[1-(aminocarbonyl)-2-methylpropy...	933.12	624.66
1H-Indazole-3-carboxamide,N-[(1S)-1-(aminocarbonyl)-2-methyl...	1219.89	1587.64
1H-Indole-3-carboxamide,1-(5-fluoropentyl)-N-(phenylmethyl)-	49013.28	57163.52
1-Methoxyphenanthrene	7257.89	8936.52
1-Methyl-3-[(E)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylide...	635.05	912.19
1-Methylphenanthrene	9318.53	9766.93
1-Monolinolenin	3389.05	4711.81
1-Octadecanol	2033.24	2357.93
1-Octadecyl lysophosphatidic acid	5297.39	7601.14
1-Octen-3-OL	70878.40	84618.00
1-(Octylsulfinyl)ethylene	7563.35	5509.93
1-O-Hexadecyl-2-O-methyl-sn-glyceryl-3-phosphorylcholine	26448.38	59732.22
1-Oleoyl-2-acetyl-sn-glycerol	18417.98	18116.22
1-Oleoyl-sn-glycero-3-phosphocholine	9176.69	7382.32
1-Palmitoyl-sn-glycero-3-phosphocholine	5811.01	8823.45
1-Phenyl-4-[4-(1H-pyrazol-1-yl)benzyl]piperazine	1382.31	1789.77
1-piperidin-2-ylpropan-1-ol	3850.85	4327.37
1-Pyrrolidinecarboxylic acid,3-amino-4-fluoro-,1,1-dimethyle...	10069.48	11721.49
[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013...	12206.97	13541.92
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,...	158571.87	298198.41
[(1R,3S,3Ar,4S,8S,8aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8...	11276.33	9564.56
(1R,4S,4As,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2...	9212.33	15601.32
(1R,8R)-3,3-dimethyl-10,13-dioxo-11-oxatricyclo[6.5.0.01,5]t...	1202.25	1098.82
[(1S,2S,3S,10S,13S,15R)-2-Hydroxy-15-methyl-11-oxo-6-azatetr...	1769.44	2094.13
(1S,2S,3S)-1-(5-Methylpyrazin-2-yl)butane-1,2,3,4-tetrol	2728.99	3585.42
[(1S,2S,3S,5S,8S,10S,14S)-2,5,10-Triacetyloxy-8,12,15,15-tet...	8131.46	12680.70
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol	10223.37	9603.79
[(1S,3R,5R,7Ar)-7-(hydroxymethyl)-3,5-dimethoxy-1-(3-methylb...	5725.84	7193.89
[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-...	2540.27	3867.96
(1S,4S,4Ar,8aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl...	4111.03	3841.87
2-(1^,2^,3^,4^-Tetrahydroxybutyl)quinoxaline	1036.40	1256.24
2,1,3-Benzothiadiazole-4-carbaldehyde	8052.56	8848.50
21-Hydroxyprogesterone	50499.19	58375.76
2-(1-Piperazinyl)acetamide	8949.35	13545.99
2-(1-Piperidinyl)-1H-benzimidazole	9188.76	12225.48
2,2^,2^^-(1,3,5-Triazinane-1,3,5-triyl)tris(ethan-1-ol)	2692.04	2955.80
2,2^-(2-Hydroxyethylazanediyl)diacetic acid	2000.38	2214.22
2,2^,3,4,4^,5^,6-Heptabromodiphenyl ether	19406.44	15556.77
2,2,5,7,8-Pentamethyl-6-hydroxychroman	9514.25	7068.36
2-[[2-azaniumyl-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropano...	14568.30	4477.80
2,2-Dichloroacetaldehyde	60843.17	55844.32
2-(2-Methylaminoethyl)pyridine	14540.38	20919.65
(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl...	9419.54	11917.32
(2,3,4,5-tetrahydroxy-6-oxo-7-phosphonatooxyheptyl) phosphat...	2219.05	1810.19
2,3,4-Pentanetrione,3-[(4-nitrophenyl)hydrazone]	1741.40	1725.83
2,3^,5-Trichlorobiphenyl	269863.62	277788.12
2,3-Butanediol glucoside	7874.01	10223.68
2,3-Dihydrobenzofuran	37446.13	49897.99
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl...	20770.03	21636.55
2,4,5-tris(hydroxymethyl)pyridin-3-ol	3297.01	5195.14
2,4,6-Tris(4-morpholinylmethyl)phenol	2408.66	2021.77
2,4-Dimethyl-6-(1-phenylethyl)phenol	5717.48	9581.34
2,4-Di-tert-butylphenol	4987.90	6920.81
2-(4-Methyl-1-piperazinyl)aniline	4880.07	5538.99
2-(4-Methylbicyclo[2.2.2]oct-1-yl)-1-phenylethanone	8177.04	8222.80
2-(4-Morpholinyl)ethyl 2,4-dihydroxybenzoate	3896.68	3488.40
2,4-Quinazolinediamine,N2,N4-bis(phenylmethyl)-	3025.09	4725.48
2-(4-tert-Butylphenoxy)ethanamine	9873.75	9574.18
2,5-Dimethylfuran	6812.93	9129.81
2,5-Hexanedione	2793.63	4242.23
2,6-Diisopropylnaphthalene	2559.60	2870.52
27-Deoxy-5alpha-cyprinol	50251.33	68667.53
(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-met...	2560.15	5339.95
2-Amino-2-deoxymannose	9458.02	13649.29
2-Amino-2-methyl-1,3-propanediol	3673.85	3504.78
2-amino-3,7-dihydropurin-6-one	3264.41	5969.75
2-amino-6-methylsulfanylhexanoic acid	8543.89	12566.85
2-Amino-8H-indeno[1,2-d][1,3]thiazol-8-one	4601.36	3880.65
2-Amino-9,10-epoxy-8-oxodecanoic acid	3454.83	5796.65
2-Aminoethanesulfinic Acid	6922.81	6081.61
2-aminooctadecane-1,3-diol	14903.20	23926.32
2-aminoprop-2-enoate	2974.93	3658.97
2-(Benzothiazol-2-ylsulfanyl)cyclohexanone	526.35	742.93
2-[bis(carboxylatomethyl)amino]acetate	3930.20	2781.43
2-Butyl-4,5-diethyloxazole	5919.94	7482.46
2-Chloro-cis,cis-muconate	247048.17	258262.54
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benz...	3066.22	4323.25
2^-Deoxyadenosine	22249.09	51257.07
2-(Dimethylamino)benzaldehyde	23524.84	21066.63
(2E)-3-Phenyl-1-(piperidin-1-yl)prop-2-en-1-one	15591.81	16307.13
2-ethyl-2-phenylmalonamide	3329.51	3324.85
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone	47312.84	8121.82
2H-1-Benzopyran-6-ol,2-((4-(2,6-di-1-pyrrolidinyl-4-pyrimidi...	37148.47	45269.21
2-Heptylbenzothiazole	3699.67	4170.52
2-Heptylfuran	1982.86	1980.09
2-Hydroxy-2-methyl-3-oxobutanoic acid	1544.70	2016.31
2-Hydroxy-4,6-dimethylpyrimidine	3663.12	4144.38
2-Isopropoxyphenyl N-methylcarbamate	5198.60	9780.06
2-Isopropyl-3-methoxypyrazine	1353.22	1321.24
2-Methoxy-6-nitrobenzonitrile	4473.01	3595.11
2-Methoxyestradiol	329058.27	414098.14
2-Methyl-3-(methyldithio)furan	11640.37	12297.51
2-Methylamino-1-(3,4-methylenedioxyphenyl)butan-1-one	92101.58	100178.54
2-(Methylamino)-1-(morpholin-4-yl)ethan-1-one	4020.85	5715.25
2-(methylazaniumyl)ethyl phosphate	62236.80	58555.97
2-Methylcyclohexanone	1507.79	1640.22
2-Methylthiolan-3-ol	58734.39	87878.19
2-Naphthalenecarboxamide,N-[2-(4-oxo-1-phenyl-1,3,8-triazasp...	761.67	1769.40
2-N-Undecyltetrahydrothiophene	2576.45	3018.03
2-oxo-6-(2-oxoheptyl)pyran-4-olate	5615.22	17539.78
2-Pentyl-9,10-dihydroanthracene-9,10-dione	131333.85	124686.48
2-(Pentylamino)acetamide	12538.86	7819.57
2-Phenylcyclopentan-1-amine	1188.52	1440.50
2-Phenylethanol	8327.34	11349.83
2-Phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide	21016.88	22083.51
2-Phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide	278.73	404.20
2-Phenylpropylamine	10032.20	12858.40
2-Phosphonoethylphosphonic acid	14779.03	14955.05
(2R)-2-amino-8-methylsulfanyloctanoic acid	5026.79	5158.97
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate	82056.41	92603.67
[(2R,3R,4S,5R,6R)-3-acetyloxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5...	1266.14	1550.82
(2R,3R,4S,5S,6R)-2-[(3R)-3-Hydroxydeca-4,6,8-triynoxy]-6-(hy...	1618.04	787.14
[(2R,3R,4S,6R)-2-[[(4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-die...	3409.56	4769.76
(2R,3S)-4-Methylidene-5-oxo-2-tridecyloxolane-3-carboxylic a...	3217.99	3806.92
(2S)-2-[[(2S)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-5...	10580.58	12306.62
(2S)-2-(aminomethylideneazaniumyl)pentanedioate	1784.28	2049.70
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydrox...	2572.52	2930.84
(2S,4S)-4-Cyclohexylpyrrolidine-2-carboxylic acid	4258.13	6573.22
(2S,6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2...	2049.11	4053.49
2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxyla...	5836.63	5494.62
2-Trifluoroacetylpyrrole	1013.71	974.46
2-Vinyl-4H-1,3-dithiine	1134.64	1359.17
3-(1H-Benzimidazol-2-yl)-4-chloroaniline	2652.29	3163.14
3-(1H-Indol-3-ylmethyl)-6,18-dimethyl-9-(2-methylpropyl)-12-...	4847.28	3967.61
3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid	38290.89	43529.98
3-[2-[4-(3,4-Dimethylphenyl)piperazino]ethyl]isoindolin-1-on...	14839.53	12246.45
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one	11803.27	9552.94
3-(2-Cyclohexylethyl)-4-ethyl-1H-1,2,4-triazole-5-thione	11480.13	10203.58
3-(3-Hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on...	5867.64	6440.48
34:6(16Z,19Z,22Z,25Z,28Z,31Z)	19444.26	22117.84
3,4-dihydro-2H-pyrrol-1-ium	860.88	914.95
3,4-Dihydrocadalene	4931.16	4598.07
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid	2538.33	4489.18
3-[4-(sulfooxy)phenyl]prop-2-enoic acid	6006.44	6911.42
3,4-Thiophenedicarbonitrile	1153.01	617.47
3,5-Dimethyl-4-propyl-1H-pyrazole	12006.33	12963.13
3,8^-Biflaviolin	7411.52	8317.11
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate	41957.56	54114.54
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate	3348.33	3439.07
3-Aza-A-homocholest-4a-en-4-one	304828.75	462477.47
(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15...	1901.48	2633.33
(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlan...	2710.77	3814.09
(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-di...	3022.36	13105.69
3beta,5alpha,6beta-Trihydroxycholestane	43748.46	45831.61
(3beta,9xi,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one	19570.27	15649.41
3-Bromo[1,1^-biphenyl]-4-ol	4397.55	4906.98
3-Chloro-1H-pyrazol-4-amine	59784.20	46012.01
3-Chloro-4-(4-methyl-1-piperazinyl)aniline	333.73	428.06
3^-(Cyclohexylamino)-4^-methoxyacetanilide	3345.50	2829.48
3-(Decyloxy)tetrahydrothiophene 1,1-dioxide	1355.40	2027.98
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate	8147.73	9876.93
3-Henicosyl-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione	1464.01	1507.02
3-Hexen-1-ol,(Z)-	55322.54	46777.59
3-Hydroxy-2-butanone	920.29	1359.92
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic ac...	1540.22	1829.62
3-(hydroxyamino)propylazanium	15340.77	17309.67
3-Hydroxybenzoic acid	60408.32	66285.53
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN	11686.62	26558.53
3-Hydroxydodecanoic acid	589.71	4664.84
3-hydroxy-tetradecanoic acid	12224.35	10221.37
3-Mercaptopropanoic acid	4561469.11	4376216.48
3-Mercaptopyruvic Acid	6982.93	5344.23
(3-Methyl-2-butenyl)-benzene	1381.36	1850.71
3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine	2798.21	3244.40
3-Methyladenine	5301.72	7247.79
3-Methyloxindole	12171.61	14347.88
3-Methylphosphinicopropionic acid	8642.56	7527.44
3-(Methylthio)propionic acid	1206.83	1145.85
3-Methylxanthine	3219.93	4126.59
3^-N^-Acetylfusarochromanone	1768.00	2069.14
(3R,4S,6S,9Z)-4-Bromo-9-(bromomethylidene)-5,5-dimethyl-1-me...	58439.58	62679.14
(3R,7R)-1,3,7-Octanetriol	522792.61	487706.73
[(3S,4R,4Ar,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-methoxy-2,3,3...	1986.04	2812.44
(3S,4S,10S,13R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-...	5749.98	9955.79
(3S,4S,10S,13R)-3-hydroxy-4,10,13-trimethyl-17-(6-methylhept...	2092.23	3002.22
4-(2-Aminophenyl)-2,4-dioxobutanoic acid	28012.38	16558.81
4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-yn-2-ol	2019.81	1960.75
4-(2-Oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxycilostazol	4128.75	4318.27
4-(3,3-Difluoroazetidin-1-yl)piperidine	7787.87	8334.46
4-(3,4-Dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrim...	1782.72	1871.47
4-(3,4-Xylyl)-3-thiosemicarbazide	5292.69	10017.18
4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid	900.39	739.75
4-[4-(2-azaniumyl-2-carboxylatoethyl)-2H-imidazol-2-yl]-2-(t...	1620.91	3079.72
4,4^-Diapophytoene	3706.19	5469.55
4-(4-Fluoroanilino)-2H-chromen-2-one	1462.15	1570.48
4,4^-Methylenebis(2,6-di-tert-butylphenol)	6542.84	8251.46
4,4^-Thiobis-2-butanone	18293.26	18021.14
(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic...	8188.08	8864.93
4,5-Dichloro-2-ethyl-1H-imidazole	2088.43	2408.58
4,5-Dihydro-2-methylthiazole	56743.72	74674.91
4,6-Di(1-piperidinyl)-1,3,5-triazin-2-amine	77512.57	97080.50
4,6-Dihydroxyquinoline	30787.57	16190.84
4,6-Dimethyl-1,3,5-triazin-2-ylamine	4655.95	5552.98
4-Acetamidobutanal	22571.78	9786.14
4-acetamidobutylazanium	3006.22	4034.63
(4-amino-4-oxobutyl)-(diaminomethylidene)azanium	1604.70	2403.68
4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol	1006.26	1836.32
4-aminomethylpyrimidine	93376.30	80861.29
4-amino-MX	1740.15	2353.93
4-Amino-N-(3-methyl-2-butenoyl)benzenesulfonamide	7006.33	8101.18
4-Aminophenol	872.30	986.11
4-Aminopyridine	24037.55	24981.56
(4Ar,6aR,6bS,14aR,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a...	9992.65	23199.28
(4Ar,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethy...	916.28	944.52
(4As,6aR,6aS,6bR,8aR,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-...	1454.52	1749.06
4-(Benzylsulfanyl)-3-pyridinesulfonamide	15039.04	14157.28
4-Bromo-2-formylbenzonitrile	2444.98	3026.28
4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone	837.38	845.20
4-Chloro-6-methyl-2-(methylthio)pyrimidine	1884.80	2922.97
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid	1733.04	2286.64
4-Guanidinobutanamide	3862.73	4553.95
4H-1-Benzopyran-2-carboxylic acid,5,7-dihydroxy-4-oxo-	1663.31	1951.16
4-Hydroxy-4-(3-pyridyl)-butanoic acid	6261.91	13451.40
4^-hydroxymephenytoin	1137.33	1211.33
4-methyl-5-thiazole ethanol	5219.59	6895.39
4-Methylpentanal	4061.26	4125.00
4-n-Heptylphenol	4642.92	4582.87
4-Oxododecanedioic acid	8915.66	9111.11
4-Propylphenol	39251.93	34868.96
4-Pyridinecarboximidamide	14417.27	18405.95
(4R)-3,5,5-Trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-tri...	5724.66	3911.60
(4R,5S)-4-Hydroxy-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpro...	4294.30	3271.25
[(4S,4As,7S,7aS)-2,2,4-trimethyl-1,3,4,4a,5,6,7,7a-octahydro...	12289.30	11577.12
4-Trimethylammoniobutanoate	21641.58	23052.09
5-(1,3-Benzodioxol-5-ylmethylene)-1,3-thiazolidine-2,4-dione	695.24	702.78
5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-1H-pyridin-2-one	1606.95	2121.19
5-(3-Phenylpropyl)-1H-1,2,3,4-tetrazole	1006.48	803.93
5,5-Diethyl-1,3-oxazinane-2,4-dione	2411.90	3462.96
5,7-Dimethoxycoumarin	3179.19	6819.98
5,8,11,14-Eicosatetraynoic acid	755.75	1238.67
5-Acetylamino-6-amino-3-methyluracil	20165.96	19338.78
5-amino-2,5-dioxopentanoate	861.23	660.01
5-Bromo-8-quinolinol	1181.63	1709.46
5-Chloro-2-(4-propionyl-1-piperazinyl)aniline	4393.19	3846.61
5-Chloro-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide	6100.50	7089.51
5^-Deoxy-5^-(Methylthio) Adenosine	16234.21	14921.61
5-Dodecyldihydro-2(3H)-furanone	1243.90	1954.21
5-HETrE	2071.33	1460.69
5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one	3256.97	2983.06
5-Hydroxyfluvastatin	5002.83	6458.50
5-Hydroxyindole-3-acetic acid	5696.53	4860.08
5-Hydroxy-L-Tryptophan	898.66	851.94
5-Methoxydiisopropyltryptamine	139992.59	143544.06
5-Methyl-1,3-benzoxazol-2-amine	1244.39	1470.99
5-Nonadecyl-1,3-benzenediol	27362.71	29287.52
5-Norbornene-2,3-dicarboximide,N-(2-ethylhexyl)-	3244.48	4610.79
5-O-beta-D-Mycaminosyltylonolide	1972.64	2926.56
(5-Phenyl-1,2,4-triazol-3-yl)urea	2868.72	2657.49
(6Ar,6aS,6bR,8aR,10R,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-hept...	6876.14	12423.00
6-Chloro-N4,N4-dimethyl-2,4-pyrimidinediamine	5890.99	4633.95
6-Geranylgeranyl 8^-methyl 6,8^-diapocarotene-6,8^-dioate	2483.13	3722.46
6-hydroxyhexanoic acid	25156.92	37479.31
6-Methyl-2,3,4,9-tetrahydro-1H-carbazole	3244.45	4906.84
6-Uracilacetic acid	2387.38	2155.56
7,8-Diaminononanoic acid	11282.06	16044.94
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo...	810.71	867.53
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid	29827.18	42331.63
7-Dehydrodesmosterol	7705.75	7214.99
(7E)-11,12-Dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylp...	5478.08	4438.57
7H-Purine-7-acetamide,1,2,3,6-tetrahydro-1,3-dimethyl-N-[4-(...	3192.80	3968.61
7-Hydroxy-6-methyl-8-ribityl lumazine	4740.63	3825.48
7-Hydroxywarfarin	184869.36	156902.55
7-Mercaptoheptanoylthreonine	1876.07	2448.78
7-Methylguanine	45562.92	65650.42
7-Methylxanthine	8139.92	13681.61
8,10-Dihydroxy-3-longipinen-5-one,diangeloyl	2940.49	6891.86
8-(3-Octyl-2-oxiranyl)octanoic acid	2017.95	2536.33
8-Amino-7-oxononanoic acid	5358.29	6548.78
8-Azaguanine	370389.70	163127.85
8-Benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione	2673.83	2693.26
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne	1539.07	1190.30
9,10,13-TriHOME	15017.96	12681.37
9,10-Dihydroxystearate	4148.04	1855.01
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	4172.51	5064.74
9H-Thioxanthene-3,6-diamine 10,10-dioxide	1203.18	1168.43
9-Oxo-11alpha,16R-dihydroxy-17-cyclobutyl-5Z,13E-dien-1-oic ...	16247.56	32972.12
9-Riburonosylhypoxanthine	666.44	741.35
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid	4821.67	5937.86
Abametapir	21629.55	19576.29
Acebutolol	3284.87	4150.17
Acetaldehyde butyl phenethyl acetal	1082.59	1278.87
acetamidomethyl-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatoo...	299.20	417.86
Acetaminophen	1427.04	3268.58
Acetanilide	778.83	1325.58
Acetohexamide	3053.76	2395.97
Acetone cyanohydrin	1197.84	1463.07
Acetylcholine	9953.57	11999.49
Acetyldigitoxin	6197.80	5246.51
Acetylleucine	2170.90	3142.23
Acetylpodocarpic acid anhydride	164551.98	152427.48
Acrylonitrile	40201.30	50160.31
Adenine	30915.47	42821.33
Adenosine	201721.75	190743.21
Ajmaline	9327.53	7351.29
Ala-Ala	13199.73	36024.61
Ala-Arg-Asp-Pro-Val	571.85	631.60
Ala-Gln-Phe-Ile-Met	11675.41	10361.44
Ala-His-Ile	6427.37	8885.53
Ala-Ile-Gln-Arg-Thr	9000.95	13096.93
Alangicine	15700.95	45523.43
Ala-Val-Asp-Asp	1374.49	1941.42
Allantoic Acid	5011.74	3979.98
(all-E)-6^-Apo-y-caroten-6^-al	32570.89	31046.46
Allocryptopine	12493.00	11379.90
all-trans-Carophyll yellow	6541.46	6739.55
alpha-Asarone	12399.78	12628.97
alpha-Eucaine	3439.98	2807.71
alpha-hexylcinnamaldehyde	11293.38	9143.45
alpha-Linolenoyl ethanolamide	2779.65	7227.42
alpha-Methyl-m-tyrosine	1456.36	3216.90
Amicarbazone	2155.70	3684.17
Amprolio	3989.43	4133.79
Anabasamine	291314.47	245220.88
Anacardic acid	1019.02	1378.59
Anastrozole	1184.76	1407.51
Androstadienone	2719.45	2257.07
Androstane-3,17-diol dipropionate	17002.96	20168.46
Androstane-3,6,17-triol	6113.04	3974.54
Androstenedione	7016.59	10537.93
Antanapeptin A	14631.99	12301.61
Anthranoyllycoctonine	23853.16	20974.43
Arachidene trifluoromethane	687.78	1038.00
Arachidonoyl Ethanolamide-d4	4270.38	4461.64
Arachidonoylglycine	54411.89	57184.14
Arachidonoyl PAF C-16	6011.25	6573.63
Arecoline	7867.85	4615.61
Arg-Asp-Leu-Tyr-Ser	19942.93	16296.90
Arg-Gln-Arg	1132.41	2988.76
Arg-Glu-Ala-Phe-Arg	6352.13	4921.59
Arg-Glu-Arg-Val-Tyr	6670.25	5647.01
Arginine	21789.86	32051.28
Arginyl-Alanine	1364.80	2263.81
Arg-Leu-Leu-Asn-Asn	2243.81	2988.07
Arg-Lys-Asp-Lys-Glu	24118.31	21239.48
Arg-Lys-Gly-Ile-Asn	7750.17	6116.27
Arg-Lys-His-Arg	2779987.14	3601493.30
Arg-Lys-Leu	4711.23	5733.94
Arg-Met-Met	186842.30	166625.18
Arg-Phe-Phe	16612.22	25562.15
Arg-Phe-Val-Asp	3184.45	5988.65
Arg-Thr-Ala-Arg	31337.02	78019.20
Arg-Thr-Arg	17818.18	18968.33
Arg-Thr-Leu-Ser-Asp	51403.11	88457.99
Arg-Thr-Lys-Arg	6060.22	6981.63
Arg-Trp-Ile	4866.53	4122.04
Arg-Tyr-Gln-Lys	23300.40	74783.91
Armillarin	26713.34	19561.78
Arotinoid acid	16336.80	13518.93
Artocommunol CB	17029.68	18132.36
Asn-Asn-Phe-Ser-Lys	1447.86	2413.73
Asn-Gln-Lys	1762.33	2996.29
Asp-Ile-Lys	25206.39	27731.03
Asp-Phe-Gln-Arg	18480.97	16099.30
Asp-Thr-Lys	15034.50	19201.51
Asp-Val-Val	3871.61	5227.16
Auramine	5976.88	4510.67
Avenestergenin A2	14146.82	18043.21
Avermectin A1a monosaccharide	22380.71	18039.94
Bambuterol HCl	5294.26	6749.76
Barbital	4227.64	4938.53
Benproperine	2394.64	2655.26
Benzaldehyde	12896.24	13171.39
Benzamide	17688.23	14894.68
Benzyl-dimethyl-[2-[2-(2-methyl-4-octylphenoxy)ethoxy]ethyl]...	9591.36	19259.16
Benzyldimethylphenylammonium	3731.83	3023.62
Benzyl methyl sulfide	741.95	1458.11
beta-Alanyl-L-lysine	6191.50	10846.06
Beta-Amyrone	11349.01	12143.50
beta-Estradiol 17-propionate	6447.29	10690.59
Betaine Aldehyde	71587.52	31606.86
beta-Muricholic acid	130270.73	174786.44
Betonicine	5986.66	8147.70
Bifenazate	1384.78	1539.16
Bis(2-ethylhexyl) phthalate	28268.44	40219.40
bis(3-azaniumylpropyl)azanium	16338.70	18306.98
Biuret	203257.33	96641.23
Brassicasterol	16470.44	30835.23
Bufexamac	5832.30	7149.49
Buformin	21944.34	25418.70
Butacaine	3883.72	5449.56
Butoctamide hydrogen succinate	4513.31	3688.17
Butopyronoxyl	14537.94	14704.87
Butralin	680.41	927.97
Butyl undecylenate	5609.42	4232.63
Caffeine	14911.59	23260.66
Caldine	37978.91	59248.11
Calenduloside G methyl ester	10229.71	8076.75
Callystatin A	3255.16	3400.39
Camphoric acid	1507.46	2028.07
Canthiumine	1290.20	1736.21
Capric acid methyl ester	4667.43	4931.47
Caprolactam	61412.71	22481.59
Carbadox	973.58	526.72
Carbamate	11132.43	13137.25
Carbenoxolone	169549.44	397660.80
Carbobenzyloxyglycyl-L-norleucine methyl ester	2866.87	4854.64
Carbobenzyloxy-L-norvalyl-L-norleucine	11722.26	8813.25
Carnitine C13:0	314875.03	565112.60
Carnitine C16:0	38093.04	48005.29
Carnitine C18:1	67991.69	61780.72
Carnitine C19:2	35926.25	39035.45
Carnitine C9:1	968.11	1114.55
Carnosine	15576.14	11909.09
Caryophyllene oxide	8723.26	5653.00
C-Curarine	53744.46	81791.43
Cetylpyridinium	25038.09	3438.37
Chamazulene	12691.40	17649.19
Chenodeoxycholic acid sulfate	411.84	1170.63
Chinomethionat	15856.41	12891.99
Chloramine	607.42	482.56
Chlorimuron	1529.83	1326.60
Chlormadinone acetate	40973.82	34758.57
Chlorohydroquinone	22905.54	20507.94
Chlorophyll a	6019.76	7303.93
Chloroquine	4305.45	6021.92
Choline	267842.83	352267.48
Chrysanthemic acid	1920.54	1957.80
Ciclopirox	12794.30	7102.52
CID 476785	6963.55	8148.02
Cinnamic acid	14183.61	18883.28
cis-8,11,14-Eicosatrienoic acid	18447.74	34187.38
Cis/trans-(S)-(-)-limonene oxide	7770.60	11059.17
Citranaxanthin	14779.42	13742.09
CMPentylF	7737.11	7636.63
Cocamidopropyl betaine	4610.99	7721.41
Concanamycin A	11467.52	13752.84
Conivaptan	926.56	787.05
Convoline	15014.75	14716.07
Coproporphyrin III	1130.30	1722.83
Corticosterone 21-acetate	5858.66	8019.09
Creatine monohydrate	2382.00	2637.57
Creatinol	4248.66	3024.36
Cyclandelate	2396.04	3914.79
Cyclobenzaprine	1555.71	1914.25
Cyclohexylamine	239741.92	190046.25
(Cyclohexylmethyl)hydrazine	5041.09	4165.90
Cyclopassifloic acid C	6010.50	12341.96
Cyclopentanethiol	621.07	589.94
Cyclotricuspidogenin C	20482.72	35620.01
Danofloxacin	1304.62	1162.75
d[-Arg-2]KYOTORPHAN	9456.72	13657.66
Dazomet	5540.98	5803.01
delta-Hexalactone	57546.66	50906.18
delta-Valerolactam	372403.39	375484.92
Deoxycholic acid	533160.06	571098.33
Deoxycorticosterone acetate	1230.39	1703.44
Desmetryn	771.81	1019.56
Desogestrel	1618.98	2683.44
Desthiobiotin	3119.95	3492.05
Deterrol stearate	10938.01	11039.18
Deuteroporphyrin IX	81736.25	165716.17
DG(14:1(9Z)/14:1(9Z)/0:0)	10566.37	11707.25
D-Gulonic acid gamma-lactone	589.08	679.05
D-Homocysteine	8327.53	7750.68
Dibutyl phthalate	2496.55	2606.53
Dibutyl sulfide	888.19	1564.54
Diethyl 2-(formylamino)malonate	2348.31	2700.46
Diethylenetriamine	1901.47	1466.11
Diethyl hydrogen phosphate	21511.32	21645.02
Diethyl trisulfide	25563.38	28774.23
Dihydrocapsaicin	8277.47	6367.89
Dihydro-D-sphingosine	237980.77	213540.62
Dihydro Isorescinnamine	2574.90	3160.22
Diisodecyl phthalate	22975.94	30532.24
Diisononyl phthalate	3863.63	3285.34
Diisooctyl phthalate	9008.75	12869.09
Dimepranol	7496.57	8136.64
Di-n-octyl phthalate	2290.44	2631.50
Dinotefuran	3435.60	3510.89
Dipropyl pyridine-2,5-dicarboxylate	9335.52	6644.50
Disulfoton sulfone	4766.18	5211.06
Diterpenoid EF-D	965.25	1100.86
DL-Methionine	118886.72	54222.99
DL-O-tyrosine	365948.98	470822.15
Docosahexaenoic Acid ethyl ester	99959.46	87363.87
dodecanoate	20612.45	15971.39
Dolichotheline	60367.53	71093.11
D-Ornithine	9679.66	25943.88
Dropropizine	31787.07	25601.22
D-urobilinogen	159182.50	250070.88
(E)-12-oxododec-10-enoate	3356.74	5354.26
(E)-Calamene	2450.51	2537.87
Ecdysone	1521.05	1541.10
Eicosanoyl-EA	6701.80	6307.02
Enoxolone	991.21	1262.28
Enrofloxacin	7937.26	12362.78
ent-15-Oxo-16-kauren-19-oic acid	18201.87	25486.51
Epinephrine	1361.37	1173.29
Eseridine	8229.09	3766.01
Ethanone,1-[4-[[4^-[2,2,2-trifluoro-1-hydroxy-1-(trifluorome...	775.15	896.55
Ethisterone	8627.43	14514.44
Ethopabate	11038.42	5856.23
Ethosuximide	2644.83	8508.38
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylat...	3798.44	2947.07
Ethyl 3-(N-butylacetamido)propionate	4702.89	6069.33
Ethyl 4-hydroxy-5,8-dimethoxy-3-quinolinecarboxylate	2456.58	2259.18
Ethyl cellulose	7181.72	5473.84
Evocarpine	1217.63	2330.98
Famprofazone	6299.03	8318.08
Fasoracetam	5048.28	7118.69
Ferulic acid dilactone	1887.17	3211.96
Firefly luciferin	22453.44	21463.31
Flubenzimin	47992.48	37128.98
Fluoroacetate	49401.60	43199.18
Fluvoxamine Acid	579.67	897.06
Formamide	27482.71	52813.07
Fortimicin KK1	5494.07	8014.35
Fosfomycin	961.04	912.46
Fulvestrant	5381.53	3638.99
Fulvine	1036.38	916.49
Funebrine	7302.98	4013.68
Furaltadone	3549.43	5222.24
Furan-2,5-dicarbaldehyde	21868.47	19093.22
Furfuryl octanoate	3091.67	4411.18
Gabapentin	4712.51	5181.00
gamma-Glutamyl-beta-aminopropiononitrile	2680.36	1849.89
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	10227.91	9343.50
Ganoderiol I	30147.96	51833.25
Ganoderol A	17303.16	21150.58
Geissospermine	14079.17	10890.78
Gentamicin C2	3166.65	5317.66
Gingerglycolipid A	7524.20	5797.45
Gingerglycolipid B	2901.34	5037.20
Gln-Glu-Ile-Arg	1517.12	2393.46
Gln-His-Thr-Leu-Lys	7856.99	9873.46
Gln-Phe-Ile-Lys	1344.95	1786.25
Gln-Val-Trp	8226.72	7854.82
Glu-Leu	28670.49	39371.83
Glu-Pro-Pro-Arg-Asp	86072.79	87649.08
Glu-Ser-Leu-Met-Lys	15570.40	18278.02
Glutamylvaline	5280.72	5869.48
(Glycerophosphate)n	740.33	1016.17
Gly-His-Phe	18334.76	23587.14
Gly-Leu-Arg-Val-Phe	21257.38	41997.14
Gly-Leu-Asp-Val-Trp	37533.43	47668.15
Gly-Lys	84701.99	59554.08
Gly-Lys-Val	134319.41	136311.94
Gly-Pro-Val	746.61	913.92
Gly-Trp-Arg	23342.56	19863.07
Glyuranolide	1131.66	1108.58
Gossypetin 8-glucuronide 3-sulfate	2218.51	2624.25
Goyaglycoside g	2323.40	3267.49
Guaiol acetate	4234.82	3920.80
Guanfacine	1825.35	2263.28
Guanidinosuccinic acid	6028.21	4520.28
Guanine	8879.62	21478.79
Harmaline	2335.12	2840.01
HC Toxin	18784.25	46208.39
Heptadecanoyl carnitine	6289.98	2373.39
Heptadecasphinganine	3497.72	6138.29
Heptaethylene glycol	11447.77	11606.58
Heptaminol	16633.52	18774.67
Heptane-1-thiol	4575.89	5154.72
Heptyl 4-hydroxybenzoate	42574.45	36997.97
Hexaethylene glycol	234992.97	208881.16
Hexamethylene bisacetamide	9249.98	12776.97
Hexestrol	2004.46	2637.52
His-Arg-Lys-Glu	9567.26	22916.22
His-Arg-Val	3654.94	5843.99
His-Glu-Gln-Lys	1837.02	4817.84
His-Gly	4214.57	6590.86
His-Ile-Phe	36343.62	35431.64
His-Lys-Gln-Lys	7763.65	6265.12
His-Met-Lys	21481.80	17049.64
His-Phe-Met	316655.69	338174.14
Histamine	24243.12	34572.99
Homatropin	21185.50	18298.89
Hovenidulcigenin B	647.84	916.48
HS-10296	10318.97	27379.29
Huperzine B	117880.11	93043.24
Huperzine R	8563.16	11825.23
Hydrastinine	3215.43	4040.29
Hydratopyrrhoxanthinol	8003.61	7894.22
Hydroxidodioxidosulfidosulfate	26590.19	34977.05
Hydroxycitronellal	26997.40	22527.25
hydroxy nitrite	26153.67	26710.99
Hydroxyquinoline	52328.76	93179.75
Hyodeoxycholic acid	3765.57	4192.01
hypoxanthine	37852.96	45816.83
Ibudilast	1618.95	2353.21
Ibuprofen	1275.77	1721.67
Ile-Asn-Phe	33223.99	56807.92
Ile-Cys	7831.55	9536.20
Ile-Glu-Val-His-Gly	6260.13	8587.16
Ile-Ile-Arg	4890.98	4026.20
Ile-Ile-Val	2240.94	2453.21
Ile-Pro-Ala-Asp-Val	912.84	1443.07
Ile-Ser-OH	10564.19	7773.09
Ile Val	2349.75	1549.96
Ile-Val	4980.38	2759.48
Imiprothrin	35807.55	49148.34
Imiquimod	33783.71	38632.29
Indinavir	999138.77	1160777.86
Indole-3-acetamide	1938.73	1690.35
INDOLE-3-ACETATE	3361.85	5500.23
Indole-3-Carboxaldehyde	11443.84	9335.39
Inosine 5^-tetraphosphate	10826.24	8508.03
Irbesartan	3457.65	4270.01
Isoleucyl-Isoleucine	13802.42	13133.28
Isonoruron	1772.19	2403.56
Isopentenyl adenine	9890.84	10391.08
Isoprenaline	8740.83	34956.28
Isoprene	1784.30	1453.96
Isoproturon	65148.44	36789.01
Isothipendyl	1990.59	1765.07
Isovaleric acid	6495.21	5497.42
Isovalerylglycine	1039.66	1868.17
Isoxaben	3937.71	3459.80
Istamycin C	2202.18	2825.73
Ivermectin B1a	5167.63	5817.36
Jasmone	221538.35	230276.60
Jasmonic acid	3358.09	4303.39
JWH031	13940.94	11543.93
JWH 309	28950.76	39869.72
Kadsurin	49976.50	17917.40
Kahweol palmitate	7376.53	7881.50
Kainic acid	3308.07	4821.09
Kalkitoxin	8621.84	12836.07
Lagocholic acid	15762.19	13274.85
Lanost-8-ene-2,3,12,21,24,25-hexol	7503.26	6336.20
Lauroyl peroxide	123040.74	101538.93
Leu-Asp-Val-Lys-His	5580.31	4286.67
Leu-Glu-Phe-Glu	14876.46	31305.45
Leu-Gly	12476.68	15297.73
Leu-Leu-Leu	3254.88	6191.42
Leu-Leu-Ser-Pro-Tyr	2372177.16	2256215.09
Leu-Ser-Leu-Glu-Glu	52601.17	65557.87
Leu-Val	19616.94	16642.77
Leu-Val-Leu-Gly-Phe	15313.04	41427.98
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid	615.16	337.11
L-Homophenylalanine	25597.76	21800.75
Lidocaine	4368535.63	4329600.14
Linalyl benzoate	2198.69	2740.45
Linoleoyl ethanolamide	15940.83	37720.38
L-Isoleucine	347142.99	491781.50
Lithocholic acid	30609.75	31812.02
Litseakolide E	1832.86	2692.73
L-Methionine	7214.36	10136.68
L-Norleucine	7748.77	7171.86
L-Norvaline	18280.31	24243.62
LPC(17:0/0:0)	8349.94	10153.41
LPE(15:0/0:0)	3738.53	5134.57
LPE(16:0/0:0)	24817.27	34033.63
LPE(18:0/0:0)	1198.40	1354.86
L-Phenylalanine	24145.90	38100.08
L-saccharopine	786.57	757.34
L-Tryptophan	2307.07	3136.66
L-Tyrosine	27088.70	29144.82
L-Tyrosine,ethyl ester	23041.79	33589.21
Luciduline	4714.07	5287.67
Lucigenin di	1323.69	2253.63
Lupenone	43690.14	77391.17
Lupeol acetate	14299.70	14720.70
Lupinine	84998.97	194038.95
L-Valine	12587.38	12597.95
Lys-Gln-Ala-Gly-Asp-Val	39588.61	53062.21
Lys-His	11404.67	9071.31
Lys-His-Ile-Glu-Glu	5705.35	4589.95
Lys-Ile-Val-Lys	20558.93	21592.00
Lys-Lys-Arg	22145.55	21784.81
Lys-Lys-Thr	510499.25	461954.04
Lys-Met-His	401289.29	365162.09
LysoPA(18:0e/0:0)	8822.91	13058.39
LysoPA(19:0/0:0)	22484.83	20661.62
LysoPA(22:0/0:0)	5271.04	6079.26
LysoPC(18:2(9Z,12Z))	11643.18	13706.72
LysoPE(0:0/24:0)	2064.70	3143.71
Lys-Pro	42462.70	76736.69
Lys-Pro-Thr	1971.29	2254.07
Lys-Thr-Lys	40457.33	33874.93
Lys-Tyr-Thr-Ser-Ser	1389.34	3303.55
Lysyl-Glycine	5065.88	7089.36
Lysyl-Tryptophan	6679.70	9590.71
Lythidathion	67499.72	76945.26
Madecassic acid	5522.41	5460.66
Malonyl-L-carnitine	11068.98	24517.21
Mancinellin	40037.99	93409.85
Manzamine A	317884.01	244191.42
Menatetrenone	6219.72	10239.75
Menthyl lactate	16954.09	19118.41
Mequitazine	3262.00	4335.60
Mesoporphyrin IX	31423.23	38523.46
Metalaxyl	1252.15	1277.55
Metaldehyde	2729.74	2438.09
Metamitron	2744.81	4191.00
Metanephrine	5735.90	11297.64
Metformin HCl	1235.14	3169.67
(-)-Methamphetamine	3663.41	3122.07
Methanone,1-naphthalenyl(1-propyl-1H-indol-3-yl)-	4944.58	8183.59
Methanophenazine	2145.08	3396.81
Methoxyfenozide	21940.56	17267.30
Methscopolamine bromide	24239.37	40217.64
Methyl (2E)-3-(5-(2,3-dihydroxy-3-methylbutyl)-1-methyl-1H-i...	2764.56	2399.35
Methyl 4-bromo-2-(methylsulfonyl)benzoate	27111.06	45968.67
Methyl 4-(bromomethyl)cinnamate	3542.62	3605.98
Methyl 5-[(2,4-dichlorophenoxy)methyl]-2-furoate	5129.41	6282.38
Methyl acetoacetate	116963.27	110883.56
Methylcyclopentane	5355.02	6950.30
Methylecgonine	4216.80	8532.89
Methylguanidine	22063.72	21920.39
Methyl Indole-3-Acetate	8228.85	11269.13
Methyl isobutyl ketone	32951.63	55721.01
Methyl Linolenyl Fluorophosphonate	28132.18	56870.80
Methylpyrazine	12737.12	15973.80
Methylthiouracil	2800.31	2151.88
Met-Leu-Arg-Ala-Ala	2299.20	3044.99
Metoprolol	1280.93	1763.04
Mexacarbate	2298.62	4554.02
MG(0:0/24:0/0:0)	26481.30	26198.57
Mianserin	436.99	562.78
Miltefosine	38618.43	101991.58
Miserotoxin	2392.81	2774.99
Momordicilin	21332.69	21953.44
Mundulone	3838.31	4252.77
Myristic acid	46222.12	36398.37
Myristoyl ethanolamide	1777.62	1476.94
Myristoylglycine	62315.34	32296.35
Myxalamid A	2301.96	2135.52
N1-[3-(Benzyloxy)benzyl]-1H-tetrazole-1,5-diamine	44260.40	49308.21
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)h...	538.28	696.98
N1-Carbethoxy-N2-phthalazinehydrazine	1292.21	1124.61
N1,N12-Diacetylspermine	30424.81	11880.89
N1,N8-Diacetylspermidine	3365.18	3500.47
N-(2,4-Dinitrophenyl)hydrazinecarboxamide	6002.50	6683.38
N-[2-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-t...	5398.92	6255.22
N2-Benzyl-1,3,5-triazine-2,4-diamine	7075.85	5974.06
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)ace...	3518.44	4085.70
N-(2-Ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-ami...	1882.30	3268.24
N-(2-hydroxyethyl)stearamide	4406.97	2190.88
N-(2-Phenylethyl)acetamide	86259.25	75684.66
N-[3-(1H-Imidazol-1-yl)propyl]-9H-purin-6-amine	7759.40	10854.59
N-(3-(Aminomethyl)benzyl)acetamidine	666.65	1118.88
N-(3-Dimethylaminopropyl)-N^-ethylcarbodiimide	162660.55	264050.79
N-(3-Indolylacetyl)-L-alanine	9849.89	9244.92
N-3-Oxohexadec-11Z-enoyl-L-homoserine lactone	2144.16	2543.03
N-(4-Bromophenyl)urea	8986.99	9341.85
N-(4-Piperidinyl)acetamide	2815.08	4712.67
N-(4-Piperidinyl)cyclopropanecarboxamide	45535.68	32594.42
n5-Iminoethyl-l-ornithine	12661.00	12539.61
N6-methyladenosine	2941.51	3838.97
N-Acetyl-5-Hydroxytryptamine	15261.93	8250.10
N-Acetylcadaverine	131031.35	225817.86
N-Acetyl-DL-methionine	1310.39	1482.85
N-Acetylimidazole	760.81	693.28
N-Acetyl-leucyl-leucine	5166.31	4500.28
N-Acetyl-L-Leucine	3007.49	3805.90
Naltrexone	12330.44	32545.55
N-Benzoylaminopurine	1718.27	1775.51
N-Benzoylaspartic acid	5185.61	4259.22
N-Carbamoylputrescine	313713.64	261426.68
N-cis-Tetradec-9-enoyl-L-homoserine lactone	1871.08	1735.25
N-Cyclohexylbenzenecarbothioamide	27818.99	40664.92
N-Cyclohexylcyclohexanecarboxamide	2517.63	2272.25
N-Cyclohexyl-N^-[4-(diethylamino)phenyl]urea	6964.19	3842.86
N-Decanoyl-L-homoserine lactone	18459.38	6461.74
Nelarabine	73559.54	85704.78
N-Ethylacetamide	43580.84	45403.90
Neurodazine	16887.97	35568.69
N-hydroxy-9-methylsulfanylnonanethioamide	8084.65	11531.15
Nicotinic Acid	35888.46	41730.17
Nicotinuric Acid	8778.44	24599.77
Nicotyrine	7475.60	7782.82
Nikethamide	10169.44	7767.90
Nitrocefin	1909.94	1774.20
N-Lauroylglycine	2291.41	2296.92
N-Methylpyridinium	8504.99	8730.94
N-n-Butylpropionamide	2866.01	2693.41
N,N-Dimethyl-4-nitrosoaniline	8203.32	1032.78
N,N-Dimethylaniline	88305.83	89384.65
N,N-Dimethylarginine	71210.16	48772.35
N,N-Dimethylhistidine	735.66	1117.37
N,N-dimethyl-L-Valine	65444.80	107358.70
N-Nitrosodibutylamine	3026.77	3976.28
N-Nitrosopiperidine	3220.72	2089.59
N-Nitrosopyrrolidine	6282.62	6141.34
N,N,N^,N^-Tetramethyl-p-phenylenediamine dihydrochloride	5431.90	6650.07
N-Octadecyl-N^-propyl-sulfamide	13104.14	13537.01
N-Oleoylethanolamine	7080.77	8126.63
Nonanohydrazide	3589.19	5398.75
Nonivamide	4801.35	5714.21
Nookatone	4806.73	3275.30
Norcodeine	9643.32	23616.04
Norharmane	3486.37	3270.92
Nornicotine	1773.77	2524.73
Nortriptyline hydrochloride	11761.55	13562.92
N-oxonitramide	1668486.51	1481996.34
N-Phenylacetylphenylalanine	4585.84	15278.77
N-(Tert-Butoxycarbonyl)-L-leucine	2472.11	3033.90
N^-tert-Butyl-N,N-dimethylsulfamide	70688.91	95182.87
N-Undecanoylglycine	9842.49	7467.03
N-undecanoyl-L-Homoserine lactone	1051.17	1665.65
Nupharamine	1194.82	1179.90
Octaethylene glycol	5093.10	8283.63
Octodrine (2-Amino-6-methylheptan)	30614.51	26385.43
O-Isopentenylhalfordinol	4506.85	3791.11
Oleoyl Ethanolamide-d4	75712.51	66386.77
O,O-Diethyl hydrogen thiophosphate	56953.61	59141.64
O,O-Diethyl thiophosphate	26794.10	25209.26
Ortophosphate	64630.27	67179.07
O-t-Butyl-L-threonine methyl ester	5682.33	27656.31
Oxotremorine	5045.48	2775.72
Oxprenolol	8355.22	7311.37
Oxycodone	29063.89	27573.74
O-Xylene	3246.03	4084.15
Ozagrel	2974.33	3243.74
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	4630.18	7283.84
p-Acetaminobenzaldehyde	4123.59	6059.99
Palmitic acid alkyne	3056.61	2686.00
Palmitoyl-EA	3915.01	3577.74
Palmitoyl ethanolamide	2396.69	2201.41
Pantethine	7853.23	7843.53
Pantothenate	56475.17	73278.17
Paramethadione	3049.61	3221.35
PC(14:1(9Z)/16:1(9Z))	3096.52	6220.67
PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))	13831.82	11237.13
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	7039.01	5769.82
p-Chloroisobutyrylfentanyl	1671.97	3257.23
P-chlorophenylalanine	30124.21	29365.41
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	2107.48	2177.14
PD-160725 2-hydroxyethanesulfonate	22395.27	53594.30
Peimine	37963.69	32085.58
Peiminine	91912.03	58105.59
Pencycuron	2223.16	3077.12
Pentaethylene glycol	7116.56	7263.44
Pentapropylene glycol monobutyl ether	3311.61	2921.00
Pentylenetetrazol	5957.54	13742.44
PE(P-16:0e/0:0)	3920.56	3725.88
Perindoprilat	1811.39	1687.89
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1006.13	1319.86
PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	4944.17	5948.66
PGP(18:0/18:2(9Z,12Z))	1753.37	2049.23
PGP(a-13:0/a-13:0)	11955.91	9950.30
Phe-Ala	3455.98	6158.76
Phe-Arg-Arg	4914.87	2142.83
Phe-Cys	1520.71	2353.12
Phe-Ile-OH	1994.14	3905.72
Phenethyl rutinoside	69795.59	59044.84
Phenol glucuronide	2409.86	2194.87
Phenylacetylglycine dimethylamide	2402.52	2511.89
Phenylpyruvic acid	1350.58	1412.04
Phenyltrimethylammonium	2002.60	3062.05
Pheophorbide a	14910.57	18914.01
Phe-Pro	4107.13	4910.70
Phe-Thr-Tyr	27233.26	38669.10
Phe-Tyr-Lys-Arg	7181.07	14964.70
Phe-Val-Trp	684715.18	627049.51
Phosphonic acid,P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]...	159357.66	143895.14
phosphoric acid	1129.01	1150.28
Phthalide	922.65	902.70
Phytomonic acid	625.52	738.63
Phytosphingosine	217722.12	182796.82
Picfeltarraenin IA	8016.38	6423.27
Picrocrocin	8000.42	5368.56
Pimonidazole	10320.85	11963.95
Piperazine,1-cyclohexyl-4-(1,2-diphenylethyl)-	1553.11	1102.28
Piperidine	193683.03	192788.53
Piperine	4231.53	9067.63
Piracetam	1050.71	1690.64
Pithecolobine	8262.89	10136.34
Pizotifen	11316.46	8931.61
p-Methoxytodadiol	4558.32	5216.82
Polidocanol	9485.59	9652.78
Polyporusterone G	2113.60	2241.08
Populin	4112.46	3699.93
Porphobilinogen	5490.48	6437.11
Potassium sulfate	801.08	773.25
Prednisolone 21-all-cis-farnesylate	7036.47	11831.58
Pretazettine	7316.67	6764.65
Prilocaine	10952.33	58176.50
Pro-Ala	8218.44	13832.31
Pro-Ala-His	5771.06	7383.78
Procarbazine HCl	4106.72	4976.82
Proglumide	9576.29	13073.74
Pro-Ile	12971.34	44656.60
Pro-Leu	24072.29	29753.23
Pro-Leu-Glu-Gly-Lys	16200.96	14840.36
Promacyl	54769.02	43614.43
Propamocarb	313108.57	180683.07
Propan-2-yl 7-[(1R,2R,3S,5S)-2-[(3R)-3-(2,3-dihydro-1H-inden...	7350.68	9847.52
Propane	8866.89	23172.67
Propanol	15312.08	8126.31
Propanoylagmatine	6444.49	9022.32
Propionylcarnitine	3477.32	4988.37
Propranolol hydrochloride	683.72	826.72
Prosapogenin A	6473.69	10972.99
Pro-Tyr	203907.18	167289.27
Proxan	221373.39	252220.90
Proxyphylline	4483.88	5409.88
Purine	2474.18	2100.24
Purmorphamine	10633.63	8993.24
Putrescine	3840.16	3763.63
pyrazolidine	57227.40	30222.25
Pyridine	248.70	346.48
Pyridine-2-azo-p-dimethylaniline	6858.45	7552.77
Pyridoxal	7847.90	11526.73
Pyroxamide	2219.70	2245.85
Pyrrolidine	5785.05	5328.40
Pyrvinium	17813.03	15281.26
Quinoline-2-carboxylic acid	2814.89	5962.83
Quisqualic acid	1868.40	1856.47
(R)-(-)-1-Amino-2-propanol	7723.64	9425.85
(R)-(-)-2-phenylglycine	446739.43	584745.41
(R)-[(2S,4S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-...	6932.25	8475.45
(R)-(-)-3-Hydroxybutyric acid methyl ester	45527.44	46045.23
Remikiren	3775.27	3611.65
Resmethrin	1174.07	1228.87
Ricinoleic acid methyl ester	4975.69	2130.70
Ritalinic acid	378679.76	306056.79
Ropivacaine HCl	4304.34	5621.51
(S1)-Methoxy-3-heptanethiol	7114.08	14120.10
(S)-2-Acetyl-2-hydroxybutanoic acid	3930.23	5505.04
(S)-2-Hydroxybutyric acid	293405.30	283842.25
(S)-2-Propylpiperidine	22832.14	36051.24
S-(3-Methyl-2-butenyl) 2-methylpropanethioate	1211.18	1469.60
(S)-3-Methylthiohexyl hexanoate	893.33	1221.95
Salicylic Acid	7861.21	6204.80
(S)-Amiflamine	18311.75	14793.21
Sarmentosine	4401.74	3761.93
Scopolamine	23134.23	30841.16
Sedanolide	6104.58	10204.98
Ser-Arg-Ala-Val-Cys	8534.66	12762.11
Ser-Arg-Ser	92818.12	92319.59
Ser-Leu	4253.92	4297.61
Ser-Ser-Lys	11059.50	12764.79
Ser-Ser-Val-Gln-Glu	4629.25	6344.80
Ser-Val-Arg	20153.13	16171.08
Ser-Val-Ile	13462.21	25307.75
Simulansine	16877.39	13039.04
Simvastatin	13109.92	6037.32
S-(Indolylmethylthiohydroximoyl)-L-cysteine	2627.89	3907.59
SM(d18:0/12:0)	552.16	716.35
Solanidine	46392.68	31549.11
Sorbitan laurate	2005.45	1894.37
Spermidine	38696.97	42141.00
Sphingosine	13742.00	19153.75
Spirilloxanthin	27782.59	30247.84
Stachydrine	18329.76	16582.72
Stearoyl-L-carnitine	9287.44	6171.72
Stearoyl Serotonin	3643.47	16140.42
Stercobilin	46471.24	72045.29
(S)-Tetrahydroprotoberberine	2485.16	3666.95
Stigmast-4-ene-3,6-dione	62449.41	114255.56
Suberohydroxamic acid	997.35	868.22
Succinic acid	1420.88	1761.51
Sucralose	15707.00	15441.12
Sulfate	188231.52	141981.15
(-)-Sulforaphene	403188.30	363697.00
Sulfuric acid	4562.49	5897.46
Taurine	67376.91	67300.27
Tecostanine	19416.40	51325.00
Telmisartan	2118.41	5801.09
Temurin	2003.32	2712.75
tert-Butyl (1-(piperidin-3-yl)azetidin-3-yl)carbamate	3756.38	3325.88
tert-Butyl 4-(aminomethyl)-1-piperidinecarboxylate	10359.71	8482.27
tert-Butyl [(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan...	1759.95	2149.60
tert-Butyl cyclohexylcarbamate	3833.89	3303.96
Testosterone	1150.30	1349.29
Testosterone decanoate	8149.23	14320.02
Tetradecanedioic acid	74329.64	74627.70
Tetraethylammonium bromide	17636.98	16347.46
Tetraethylene glycol	18200.84	14885.81
Tetramethylthiuram disulfide	13966.22	16025.07
Thalicarpine	15748.06	13090.47
Therafectin	8806.85	28089.54
Thiamine	35112.48	54265.52
Thiobenzamide S-oxide	2069.70	3109.40
Thiomiltefosine	7372.30	6701.40
Thiosulfate	33478.62	43155.33
Thiosulfuric acid	130612.15	168472.39
threo-Dihydrobupropion	930.54	1210.04
Thr-Leu	25546.15	6878.19
Thrombin Receptor Activator for Peptide 5 (TRAP-5)	1782.66	3073.71
Thymine	6176.11	11606.76
Timosaponin A-III	16070.05	13338.47
Tolterodine tartrate	1906.22	1965.06
Tomatidine	51052.45	31397.85
Tranexamic acid	5136.02	9887.62
trans-Stilbene	126377.63	92593.40
trans-Vaccenic acid	1775.57	1514.59
Trapidil	17538.96	15425.59
TriacetonaMine	19570.05	21171.87
Tridihexethyl	825.05	967.36
Tri(ethylene glycol) monoethyl ether	948.91	917.71
Triethyl phosphate	3971.77	3468.74
Triforine	1779.44	1719.23
Trigonelline	4455.85	11638.46
Trigoneoside XIb	1380.30	1190.06
Trihexosylceramide(d18:1/16:0)	8215.81	6528.18
trihydroxy(selanylidene)-lambda5-phosphane	234.95	192.79
(Trimethylsilyl)methanamine	1901.45	2493.33
Triphenyl phosphate	2051.07	2614.62
Tripropylene glycol	4588.26	5071.45
Tris(2-methyl-1-aziridinyl)phosphine oxide	4564.46	5643.89
Tropine	464544.99	719643.67
Tropinone	6806.56	19857.34
Tryptamine	6615.63	16746.35
Tryptophyl-Leucine	1505.67	1693.20
Tutin	5939.07	5794.00
Tyramine	8982.16	5688.42
Tyr-Arg-Gln-Arg	121854.80	147916.24
Tyr-His-Arg-Arg	28219.03	25167.10
Tyr-Ile-Lys-Lys	113581.29	82981.16
Tyr-Leu	8597.92	17873.34
Tyr-Val-Arg-Lys	12397.64	9504.79
Ubiquinone-4	4712.19	5094.36
Umbelliferone	316133.96	343039.21
Urea-1-carboxylate	1295.62	1104.91
Uridine 5^-monophosphate	14268.01	42900.91
Urobilin	80830.48	218627.34
Urobilinogen	53158.89	74891.12
Urocanic acid	1404.89	1964.71
Uzarigenin	7339.64	11034.72
Val-Cys-Asn-Ser-Lys	3965.81	8154.24
Val-Val	27174.30	30509.89
Val-Val-Asn-Trp-Asp	2725.07	3463.10
Valyl-Tyrosine	1412.92	1190.99
Vitamin K	5955.84	6552.85
Vorinostat	4477.04	4967.57
Xylometazoline hydrochloride	3617.94	3277.90
Yamogenin 3-O-neohesperidoside	2973.44	4704.29
Zaleplon	1251.41	2365.82
Zolpidem	1392.16	2090.14

Factors:

F1	Status:non-sarcopenia
F2	Status:sarcopenia