Data for ST003002   

(Analysis AN004930): Average values per metabolite and experimental factor (Units:nmol/g)

Metabolite structureAll dataF1F2
10-(beta-Dimethylaminopropionyl)phenothiazine
873.06 1230.51
10H-Phenoxazine-10-butanamine,2-chloro-N,N-diethyl-
9429.79 6054.37
11-Deoxocucurbitacin I
3120.61 4280.47
11-deoxy-16,16-dimethyl-PGE2
5821.91 4947.96
1,1-Dichloroethane
414555.00 466933.12
11-Ketofusidic acid
2554.51 2260.59
1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-...
5292.56 7222.39
12,13-DiHOME
11248.92 9389.63
1,2,3,4-Tetrahydro-1-naphthylamine
1511.82 1929.74
1,2,3-Tris(chloromethoxy)propane
85265.70 79493.11
1,2,4,5,7,8-Hexathionane
472.72 400.33
1-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-...
7011.94 8867.48
1,2-Bis(chloromethoxy)ethane
321.67 431.86
1,2-Dichloroethane
1185.76 2223.55
1,2-Dimethylimidazole
8664.92 7765.60
1-(2-Fluorobenzyl)-4-(methylsulfonyl)piperazine
1476.17 1321.56
12-HOME
21104.17 11466.12
12-Hydroxydodecanoic acid
33691.29 33217.57
12-Hydroxyoctadecanoic acid
375885.05 264010.88
12-ketolithocholic acid
24985.10 32215.80
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1482.42 1647.68
12-Methyltetradecanoic acid
4756.29 5732.95
12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acid
20821.64 41108.74
13-(2-Methylcrotonoyl)oxylupanine
878.04 1087.38
13-(3,4-dimethyl-5-pentyl-2-furyl)tridecanoic acid
5381.76 2022.35
1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methy...
2876.28 3395.24
1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin...
2847.98 2051.91
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
3845.54 2994.56
1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-one
3073.23 4442.69
1,3,7-Trimethyluric Acid
9355.91 17327.15
1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
8011.49 5818.21
1,3-Bis(4-ethoxyphenyl)thiourea
1262.41 1708.61
13-Deoxytedanolide
11203.70 18237.14
1,3-Diacetylpropane
54927.14 42126.59
1,3-Dimethyluric acid
6165.70 9536.94
1-(4-Bromo-3-chlorophenyl)piperidine
1162.52 1162.55
1,4-Dibenzyloxybenzene
1283.22 322.43
1,4-Dimethylphenanthrene
1795.67 1868.13
1,4-Piperazinediethanesulfonic acid
704.50 916.25
1,5-Anhydro-D-fructose
6879.96 11827.93
1,5-Isoquinolinediol
2539.09 3216.49
15-OxoEDE
63139.46 34569.12
15(R)-Pinane Thromboxane A2
100019.14 122482.10
15(S)-HETrE
7084.77 5674.05
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
1176.62 1002.79
1-(6-Chloropyridin-2-yl)piperazine
1209.64 1265.07
1,6-Dioxacyclohexadecane-7,16-dione
4221.16 7751.17
16-Hydroxyhexadecanoic acid
12020.39 15233.48
17alpha-Chloroethynylestradiol
4159.88 3813.27
17alpha-Ethinylestradiol
74024.22 88704.15
17alpha-Hydroxypregnenolone
7899.31 6762.46
1,7-Dimethyluric acid
20574.66 30025.43
17-Trifluoromethylphenyltrinorprostaglandin F2alpha isopropy...
8698.97 13269.39
1-Benzyl-1H-pyrazol-5-ylamine
5510.18 4569.93
1-Chloro-2-methylpropene
4676.58 8704.05
1-Cyclohexyl-6,7-difluoro-1,3-benzodiazole
7424.12 8200.87
1-Dehydro-9-fluoro-11-oxotestololactone
2215.52 2999.20
1-Ethynylcyclohexanamine
1748.85 1870.50
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benze...
621.94 722.27
1-Heptadecanoyl-sn-glycero-3-phosphocholine
3481.06 3545.56
1-Hexadecyl lysophosphatidic acid
10400.12 9683.63
1H-imidazol-3-ium-5-amine
10565.64 5850.97
1-Hydroxycarvedilol
1877.95 2305.22
1-Isopropyl citrate
3008.81 3690.19
1-Methylnicotinamide
2196.96 2152.09
1-Methyluric acid
12477.54 14305.78
1-Methylxanthine
13439.81 14619.03
1-Monopalmitin
1629.23 1496.79
1-Myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
28271.83 32295.55
1-Naphthalenesulfonamide,N-(6-aminohexyl)-
3330.52 4492.90
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone
1463.70 1589.41
1-Nitro-2-phenoxybenzene
1714.92 1509.29
1-O-Cinnamoylglucose
8818.49 15016.21
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
16876.90 15496.45
1-Pentadecanoyl-sn-glycero-3-phosphocholine
3611.70 6529.07
1-(Pyrimidin-2-yl)-1,4-diazepane
5614.65 6499.89
(1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en...
1144.41 1550.18
[(1R,2R,3Ar,4S,7S,7aR)-7-hydroxy-3a,4-dimethyl-4^-methyliden...
2729.03 2846.68
[(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,11,13-Pentaacetyl...
4351.99 4692.13
[(1R,2R,3R,8R,9R,10R,13S)-2,10-Diacetyloxy-9-hydroxy-8,12,15...
908.99 1249.42
[(1R,2R,4As,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methyl...
10515.81 10882.73
[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013...
7520.67 8702.24
(1R,2R,5S,8S,9S,10S,11S)-5-hydroxy-11-methyl-6-methylidene-1...
2792.91 2888.30
[(1R,2S,3S,4R,7S,8R,9R,10R,11R,13S,14R,17R)-2,9,10-Triacetyl...
27087.41 5365.85
[(1R,3R,5S,8R,9R,10R,13S)-9,10-Diacetyloxy-13-hydroxy-8,12,1...
2390.93 1849.92
[(1R,4As,4bR,7S,9R,10aR)-9-acetyloxy-7-methoxy-1,4a-dimethyl...
547.45 457.06
(1R,4S,4As,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2...
6433.63 6406.74
(1R,8S,10S,11R,12S)-3,4,11,12-Tetramethoxy-17-methyl-18-oxa-...
21633.69 20523.09
1-radyl-2-acyl-sn-glycero-3-phosphocholine
14374.41 19691.03
[(1S,2S,3S,5S,8S,10S,14S)-2-Acetyloxy-5,10-dihydroxy-8,12,15...
933.31 1143.97
(1S,9R,12S)-4,13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5...
1617.00 1977.11
(1Z,3E)-1-(2-aminophenyl)-6-hydroxy-5,6-dioxohexa-1,3-dien-1...
14379.44 13678.93
2-{1-[(2-Methoxy-5-pyrimidinyl)methyl]-3-piperidinyl}-6-(2-t...
904.48 775.37
2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acid
2029.29 1617.90
2-(1H-1,2,4-Triazol-5-yl)-1H-isoindole-1,3(2H)-dione
9132.70 9544.40
2-(1H-imidazol-5-yl)ethylazanium
12231.75 11906.49
2-(1H-Indol-3-ylmethylene)malononitrile
3826.97 4978.57
2-(1-Piperidinyl)-1H-benzimidazole
2349.55 2271.61
2-{2-[2-(Acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-meth...
4382.67 4461.29
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic...
1475.77 1968.18
2-(2,4-Difluorophenyl)pyrrolidine
3402.03 4654.24
22-Hydroxydocosanoate
18361.43 15388.51
2-{[(2-Oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid
1257.51 1493.95
2-(2-pyridyl)-4-methyl-Thiazole-5-Carboxylic Acid
1351.67 1413.01
2,2^-Sulfonylbis(4-chlorophenol)
1993.86 1770.79
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic a...
1178.35 1005.88
2,3^,5-Trichlorobiphenyl
608.71 663.94
2,3,5-Trichloro-cis,cis-muconate
274.65 324.86
2,3-Diacetoxy-7,8-epoxy-24,29-dinor-1,3,5-friedelatriene-20-...
2709.71 6226.83
2,3-Dihydroxypropane-1-sulfonate
1757.99 1449.14
2,3-Diphenyl-1-indanone
1137.07 1382.20
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl...
15537.53 16464.77
2,3-Epoxymenaquinone
2995.36 2486.45
2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidin...
3080.32 4743.74
2-(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acet...
3278.56 3262.52
2,4,5-Trichloro-6-methylpyrimidine
12980546.67 12903594.42
2,4,6-Trichlorophenol
119391.97 116953.08
2-({[(4-Bromophenyl)thio]acetyl}amino)benzoic acid
2159.74 3389.81
2-(4-Chlorobenzyl)-1H-benzimidazole
2345.10 2803.94
2,4-Diaminotoluene
41571.81 40946.36
2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate
66830.18 59782.65
2,4-Dichlorobenzyl imidothiocarbamate
13428.92 13149.42
2,4-Dichlorophenoxyacetic acid
24437.88 27992.62
2,4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1,2,4-triazo...
6759.30 6583.87
2,4-Dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6...
1562.68 1436.09
2,4-Di-tert-butylphenol
5999.50 5761.38
2-[4-(Hydroxycarbamoyl)phenyl]-N-(2-hydroxyethyl)-N-phenylac...
3447.52 2023.82
2-(4-Hydroxyphenyl)ethanol
36099.58 27205.93
2,4-Quinolinediol
16482.57 21575.46
2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-...
8923.08 7232.31
2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)malononitril...
10823.48 19463.60
2,5-Diaminotoluene
3375.73 2530.57
2,5-Dihydro-2,4,5-trimethyloxazole
18863.26 19075.65
2,5-Furandicarboxylic acid
15951.89 11938.08
2,5-Hexanedione
29693.98 34594.50
2-[(6-Chloro-3-pyridyl)methylthio]ethylamine
4382.72 4471.52
2,6-Dibromo-4-nitroaniline
631.24 585.12
2,6-Dibromophenol
1455.63 1737.21
2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
2609.77 3195.70
2,6-Dimethoxy-3-pyridinylboronic acid
844.16 851.51
27-Deoxy-5alpha-cyprinol
807.28 668.34
28-Homobrassinolide
4100.26 4457.43
2,8-Quinolinediol
26767.06 34438.25
2-amino-3-hydroxybenzoate
1084.34 854.45
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde
5605.79 6629.17
2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
2676.07 2470.73
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile
1137.25 701.23
2-Aminoethanesulfonic acid
1738.71 1707.73
2-Amino-N-cyclohexylethanesulfonamide
14134.38 25336.05
2-aminopyrimidine-4-carboxylate
3065.37 1972.61
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethyla...
1775.51 2436.44
[(2-Bromobenzoyl)amino]acetic acid
1605.24 1273.23
2-Bromo-N-(2-thienylmethyl)acetamide
9155.41 10847.47
2-Butyl-4-chloro-1H-imidazole-5-carbaldehyde
1566.27 1009.02
2-Chloro-1,1,1-trifluoroethane
1332.77 1948.84
2-Chloro-5,6-dimethoxy-3-(2-naphthylthio)-p-benzoquinone
1264.56 1321.54
2-Chloro-N-(1,3,4-thiadiazol-2-yl)acetamide
2115.25 2027.72
2-Chloro-N-(2-hydroxyphenyl)nicotinamide
1404.14 1074.87
2-Chloro-N-(4-chlorophenyl)acetamide
1794.76 1932.93
2-Chloroticlopidine
493.13 660.03
2-Dec-9-enyl-3-hydroxypentanedioic acid
3312.03 6592.86
2^-Deoxycytidine-5^-monophosphate
4216.75 5493.34
2^-deoxyguanosine
7451.78 9911.98
2^-Deoxyinosine
8486.17 17953.96
2^-Deoxyuridine
2428.92 2956.83
2-Dodecenedioic acid
5956.28 5671.00
(2E)-3,7-dimethylocta-2,6-dienoate
1307.71 1698.69
2H-1-Benzopyran-2-one,6,7-dimethoxy-8-(3-methyl-2-butenyl)-
4445.38 4659.61
2-Hydroxy-2-methyl-3-oxobutanoic acid
22925.68 31000.48
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid
3811.35 3221.70
2-Hydroxy-3-methylbutyric acid
10537.63 7434.50
2^-Hydroxy-4,4^,6^-trimethoxychalcone
11015.95 18806.25
2-Hydroxycinnamic acid
5581.42 12774.14
(2-hydroxyethyl)(triphenyl)phosphonium
1099.19 945.01
2-hydroxyhexadecanoic acid
11438.69 12301.29
2-[hydroxy(oxido)arsoryl]acetate
2155.75 1699.88
2-Iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
25666.40 24728.37
2-Methyl-2-(4-nitrophenoxy)propanoic acid
2631.43 1516.54
2-Methylbutyraldehyde
1968.12 1898.17
2-Methylheptanoic acid
6253.39 4013.94
2-Methylsuccinic Acid
24079.50 27245.65
2-(N-Benzylamino)-5-chloro-3-fluoropyridine
771.50 952.34
2-O-(alpha-D-Mannosyl)-D-glycerate
21033.85 21263.69
2-Oxo-10-methylthiodecanoic acid
3070.94 2920.19
2-Oxoadipic Acid
207152.84 207749.06
2-Oxosuberate
1278.17 1715.79
2-Oxovaleric Acid
21331.85 29461.96
2-Pentylthiazolidine
3417.08 3002.76
2-Phenyl-amino-N6-endo-norbornyladenine
47380.13 82574.85
2-Phenylethyl beta-D-glucopyranoside
9632.87 9237.18
2-Phosphoglycolic Acid
22677.66 23212.41
2-Propylglutaric acid
124474.13 84722.88
2-Pyrimidinecarboxamide,hexahydro-N-hydroxy-1,3-bis[(4-metho...
920.51 1036.12
(2R)-2-amino-3-sulfinatopropanoate
1401.72 1765.62
[(2R,2As,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimet...
2563.03 2136.87
(2R,3R,4S,4Ar,6aR,6bS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12...
2423.34 2798.07
[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,...
4693.08 4275.99
(2R,3R)-6-Chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-m...
1370.43 903.07
[(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di...
4197.25 6317.83
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydrox...
1425.98 1433.64
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonat...
5249.59 6221.80
[(2S)-1-oxo-1-phenylpropan-2-yl]azanium
2198.00 2392.42
(2S)-2,3-bis(azaniumyl)propanoate
3321.53 2780.90
(2S)-2-azaniumyl-4-oxidophosphonoylbutanoate
2735.04 2663.27
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3...
3795.38 2419.45
(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-(5-hydroxy-4-oxo-2-pheny...
5718.20 6175.46
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-y...
8844.72 12803.39
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,1...
996.65 743.13
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydr...
501.48 461.59
(2S,4R)-2-azaniumyl-4-hydroxy-5-oxopentanoate
1754.22 2517.95
(2S)-Liquiritigenin
11944.97 8125.15
2-tert-Butyl-4-hydroxyanisole
4364.39 2388.37
2-(trimethylazaniumyl)ethyl phosphate
1950.55 1867.37
(2Z)-2-Cyano-4-(beta-D-glucopyranosyloxy)but-2-en-1-yl 4-hyd...
644.42 450.11
3,16-DIDEOXYMEXICANOLIDE-3-DIOL
779139.55 1400340.84
3,17-Androstanediol glucuronide
2636.74 2353.72
3-(2,5-dimethoxyphenyl)propanoic acid
5766.26 4797.32
3-(2,5-Dimethoxyphenyl)propanoic acid
2531.67 1499.14
[3-(2-hydroxyethyl)-1H-indol-5-yl] sulfate
1318.76 1201.43
3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid
1468.79 1466.33
3,3-Dimethylglutaric acid
17189.07 38981.90
3-(3-Hydroxyphenyl)Propionate Acid
145724.93 116232.04
3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-one
7217.22 7617.73
3,4-Dichloro-N-(4-methylbenzyl)benzamide
707.87 819.32
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid
6686.06 7063.86
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
859.94 1004.93
3-(4-hydroxyphenyl)acrylaldehyde
61247.45 56992.77
3-(4-Hydroxyphenyl)-Propionic Acid
11282.08 7887.64
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
1338.25 1553.59
3-[5-(4-Pyridinyl)-4H-1,2,4-triazol-3-yl]pyridine
3571.92 2524.71
3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-Ylium
2103.51 2258.83
3,5-Dibromo-4-hydroxyphenylpyruvate
6628.97 6562.03
3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-...
1758.93 1856.37
3,7-Dihydroxy-12-oxocholanoic acid
2547.42 5046.08
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate
13286.41 17144.13
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate
2345.90 2420.06
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
7782.78 14158.20
3-Amino-2,3-dihydrobenzoic acid
2915.19 3940.01
3-Amino-5-hydroxybenzoic acid
1428.72 3284.16
3b-Hydroxy-5-cholenoic acid
13715.57 22280.04
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
5998.17 4750.02
3-Chloro-2-hydroxy-5-phenylbenzoic acid
2104.66 894.81
3-Decanone
142598.31 128210.44
(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic aci...
8402.74 2486.94
3-Ethylphenol
38957.24 30392.58
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic ac...
1535.14 2053.44
3-Hydroxy-5Z-octenyl acetate
24346.91 21399.30
3-Hydroxycapric acid
118775.05 106992.21
3-Hydroxyisobutyric Acid
33131.13 30713.40
3-Hydroxymyristic acid
17670.92 16295.52
(3-Iodopyridin-4-yl)carbamic acid,1,1-dimethylethyl ester
7556.78 3383.42
[3-Me-His2] TRH
11733.39 4280.84
3-Mercapto-1-hexanol
8414.36 10581.25
3-Methyl-2-oxopentanoic Acid
4903.60 5164.95
3-Methyladipic acid
11119.95 12997.99
3-Methylbenzaldehyde
22928.42 19666.93
3-Methylglutaric acid
19773.60 14235.76
3-Methylphenylacetic acid
664643.05 345968.97
3-(Methylsulfonyl)-1H-1,2,4-triazol-5-amine
6180.89 2390.64
3-(Octylsulfanyl)propanoic acid
5455.20 7701.35
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-y...
2070.95 2093.20
3-Oxocholic acid
4357.31 9278.59
3-Oxohexadecanoic acid
2634.62 4908.90
3-phenylbutyric acid
28512.72 36411.37
3-Quinolinecarboxamide,1,4-dihydro-6-(1-methylethyl)-4-oxo-1...
895.27 1342.63
(3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxycyclohexene-1-carbo...
10063.24 11893.43
(3S)-3-Hydroxy-L-enduracididine
17586.63 20574.75
(3S)-5-[(1R,4As,5S,8aS)-5-[[(E)-3-(4-hydroxyphenyl)prop-2-en...
9816.31 12721.34
3-Sulfodeoxycholic acid
3065.32 4007.96
4-[3-(Trifluoromethyl)phenoxy]butanoic acid
5677.22 4256.02
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol
1121.59 871.84
4-[(4-Bromo-3-methylphenyl)sulfonyl]morpholine
745.85 604.87
4-(4-Fluoroanilino)-4-oxobutanoic acid
3938.17 4109.04
4,5-Dihydroxybenzene-1,2-dicarboxylic acid
1807.07 1613.74
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-me...
30332.47 27762.50
4,6-Dimethyl-3,7-diphenyl-2,8-dioxo-2H,8H-benzo(1,2-b
2469.25 2155.39
4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol
7926.04 9826.69
4-Amino-N-(2,6-dimethylphenyl)benzamide
16750.38 19441.43
4-Aminopyridine
1795.05 3283.70
4-Androsten-17beta-ol-3-one sulfate
33975.96 34299.56
(4As,6aR,6bR,8aR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-...
2134.99 1945.93
4-Benzyloxy-2^-hydroxy-3^,4^,5^,6^-tetramethoxychalcone
9276.34 12785.42
4beta-Hydroxywithanolide E
368.15 497.01
(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanol
3636.80 3634.23
4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline
27460.39 27475.62
4-Chloro-3-(trifluoromethyl)phenol
755.15 716.47
4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline
1197.65 1112.33
4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indole
2500.56 1791.62
4-(Chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one
7104.29 7183.18
4-Chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
444.83 480.58
(4-Chlorophenyl)urea
4108.95 4053.46
4-(Difluoromethoxy)benzonitrile
11891.51 7252.98
4-Dodecyloxy-2-hydroxybenzophenone
772.14 706.90
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid
974.73 943.42
4-Ethyloctanoic acid
33756.19 26693.65
4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy...
3572.38 3938.42
4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-2-[2-(3-qu...
3408.56 3236.97
4-Hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-oc...
73461.42 85678.02
4-Hydroxy-3-methoxyphenylacetic acid
22747.11 4478.80
4-Hydroxybenzaldehyde
24486.57 9985.77
4-Hydroxybenzoic Acid
3852.91 3266.61
4-Hydroxycyclohexylcarboxylic acid
85779.59 17884.86
4-Hydroxymandelonitrile
56935.23 54338.26
4-Hydroxyphenylacetic acid
5769.90 9824.18
4-Hydroxyphenylacetylglutamic acid
32381.44 38194.05
4^-hydroxytrazodone
1705.56 3185.28
[(4-Methoxybenzyl)sulfanyl]acetic acid
8303.97 10085.60
4-Methoxyphenylacetic acid
2947.13 3380.22
4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexane
1278.33 1361.53
4-Methylvaleric Acid
8124.04 18648.89
4-Nitrobiphenyl
4253.01 2234.39
4-Nitro-N-(2-pyrimidinyl)benzenesulfonamide
1437.06 1393.60
4-Oxatetradecanoic acid
1755.43 2346.25
4-Oxododecanedioic acid
1553.44 1290.01
4-Phenyl-1H-pyrazol-3-ylamine
108280.07 260685.04
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,1...
1202.49 1228.10
(4S,4As,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetra...
13143.81 11028.39
(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-...
2492.36 2388.81
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclo...
17709.86 20002.82
5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-amine
1277.78 1527.71
5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amine
1256.41 1470.78
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)...
1940.80 4157.23
{5-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-...
3166.61 3000.06
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
401646.57 224921.04
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin
522.30 524.47
5-Aminovaleric Acid
251967.33 258321.58
5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-ind...
2738.33 2804.89
5-Bromo-3-nitropyridine-2-carbonitrile
395.95 446.17
5-Bromo-4-fluoro-2-nitrobenzaldehyde
14470.83 12570.26
5-Bromo-8-quinolinol
1169.09 1583.89
5-Bromoisatoic anhydride
4996.01 9710.65
5-Chloro-1,2,4-trihydroxybenzene
1307.12 1114.54
5-HETrE
14575.15 7212.53
5-Hydroxyfluvastatin
37153.54 7804.72
5-Hydroxyhexanoic Acid
6283.55 20416.96
5-Hydroxyindole-3-Acetic Acid
44239.79 30613.22
[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid
5392.00 4918.26
5-Methoxyindole-3-acetic acid
632.61 511.75
5-Methyl-1,3-benzothiazol-2-amine
496.48 730.89
5-(Methylthio)-1-phenyl-1H-tetrazole
3962.45 2932.13
5-O-Feruloylnigrumin
2786.65 2591.32
5-O-p-Coumaroylquinic acid
4349.55 5956.37
(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}...
3514.94 2490.51
5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6
5356.31 7712.61
6,10,14-Trimethyl-2-methylenepentadecanal
2087.42 2040.29
6-(3-Chloro-4-methylanilino)-2,4(1H,3H)-pyrimidinedione
946.76 619.28
6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy...
577.12 545.15
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methy...
706.45 922.33
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine
1093.79 1434.68
6,8a-Seco-6,8a-deoxy-5-oxoavermectin^^1b^^ aglycone
14584.14 17771.74
6-Acetylpicropolin
14713.96 3694.67
6-Bromo-2-chloroquinoline-3-carboxaldehyde
1826.58 2023.77
6-Bromo-2-phenyl-4-quinolinecarboxylic acid
598.86 872.20
6-Bromo-2-(thiophen-2-yl)quinoline-4-carboxylic acid
1176.76 1023.73
6-Bromo-4-chloro-2-phenylquinoline
6527.54 4507.76
6-Chlorocatechin
5100.13 2935.70
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
914.83 1268.31
6-Chloropurine Nucleoside
6709.79 4178.37
6-Chloropyridazine-3-sulfonyl fluoride
2577.26 2022.00
(6-Fluoro-1H-benzimidazol-2-yl)methanol
866.08 1753.75
6H-Indolo[2,3-b]quinoline
10658.38 8233.44
{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-met...
4667.23 2979.70
6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-d...
6028.18 7236.60
6^-Oxogentamicin X2
5651.12 6786.71
6-(Trifluoromethyl)nicotinonitrile
2159.73 6852.73
[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetra...
13217.61 15870.98
7-(2-Thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
1178.68 1639.80
7,8-Dihydro-7,8-dihydroxykynurenate
2580.41 3445.74
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo...
1317.84 971.32
7-Acetylbaccatin III
25780.04 27493.55
7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic acid
6673.54 4865.26
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid
51589.69 69479.17
7-Bromo-5-fluoro-1H-indole-2,3-dione
1458.36 1737.21
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-...
846.23 911.48
7-Hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chrome...
1594.21 1612.05
7-Ketodeoxycholic acid
28496.00 40151.70
7-ketolithocholic acid
63964.25 114368.03
7-Methoxy-4-(trifluoromethyl)coumarin
24372.89 10505.38
7-Methylrosmanol
59961.59 100613.10
7-Sulfocholic acid
5747.03 5428.05
7-tert-Butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidi...
244.32 329.23
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chro...
10365.34 5067.23
8-(3-Octyl-2-oxiranyl)octanoic acid
5537.75 2925.07
8-Amino-7-oxononanoic acid
3998.82 3955.85
8-Cyclopentyl-1,3-dimethylxanthine
3411.58 2602.74
[8]-Dehydrogingerdione
29264.73 10869.07
8-Hydroxyquinoline
1878.96 1700.68
8-iso Prostaglandin E2
4900.25 7295.62
9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg
2067.00 2313.33
9,10,13-TriHOME
5041.90 4038.57
9,10-Dihydroergocornine methanesulfonate
3574.44 3711.69
9,10-Dihydroxystearate
2178.79 1890.26
9,10-EpOME
10105.08 4564.92
9(10H)-Acridinone,1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-
1553.10 1259.58
9-(Methylthio)nonanenitrile
1876.60 2492.58
9(S),12(S),13(S)-TriHOME
19595.49 14756.24
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid
11259.42 5303.08
(+)-Abscisic Acid
2655.42 3590.85
Acetic acid
58447.49 55858.48
Acetylsalicylic acid
10620.72 24468.52
Acetylvaline
3807.99 5819.52
Ac-Ser-Asp-Lys-Pro-OH
2165.11 3263.32
Actara
1258.37 1458.27
Acylated phloroglucinol
16104.89 29464.62
Ac-Yvad-cho
119175.22 113521.45
Adenosine-5^-phosphosulfate
4632.35 8700.62
Adipic Acid
25920.39 34512.86
Adouetine X
9173.50 8781.96
Aflatoxin B1
21900.16 27020.04
Aflatoxin G2
2051.60 1854.39
Ajugalactone
2760.75 4774.91
Ala-Ala-Gln-Asn-Leu
884.95 925.37
Ala-Ala-Pro-Val-chloromethylketone
1433.80 1169.91
Ala-Asp-Arg-Arg
672.99 704.83
Ala-Asp-Ile
1017.63 1202.79
Allocholic acid
9762.66 14468.12
Allysine
4382.29 6239.09
alpha-Muricholic acid
20589.41 12607.79
Aminodiphenylacetic acid
31300.91 27966.31
Aminoguanidine
1296.78 1654.90
Amsacrine
10688.76 12250.14
Anchusin
6250.20 5064.73
ANISODAMINE
1202.75 1286.35
Apocholic acid
3431.94 6917.17
Ardisianone
7293.59 10855.37
Arg-Asn-Gln-Glu
10485.91 16809.15
Arg-Glu-Asp-Arg
975.73 854.08
Arg-Gly-Glu-Val-Leu
3436.49 3454.59
Arg-Met-Lys
2785.17 3539.39
Asiatic acid
9072.41 18587.80
Asn-Asp-Glu-Arg
5532.69 7542.77
Asn-Glu-Ile
6021.53 5036.29
Asn-His-OH
1568.78 1985.82
Asn-Pro-Asp
1545.12 1696.17
Asn-Thr-Gln-Glu
1745.20 1816.81
Asparagusic acid syn-S-oxide
1354.38 1634.80
Asp-Asp-Glu
2424.44 3320.64
Asp-Gly-Lys
1990.95 2205.57
Asp-Phe-Ser-Arg
106388.08 105911.41
Asp-Tyr-Ile-Glu
2855.19 2619.14
Atipamezole hydrochloride
1574.29 1319.31
Atrolactic acid
95397.97 75828.34
Austalide I
13893.55 15026.19
Azelaic acid
580.66 835.28
Benazepril hydrochloride
2313.12 2394.39
Bendiocarb
1087.44 1370.94
Benzhydrol
14940.98 15466.85
Benzofuran
1612.94 1936.87
Benzoic Acid
2022.68 1920.14
Benzoylagmatine
641.65 805.54
Benzoyl chloride
217329.67 224564.07
beta-Alanine,N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-
25495.70 32509.99
Bis(2-butoxyethyl) phthalate
5152.03 2365.17
Bis(2-ethylhexyl) phthalate
2692.59 3438.84
Bis(4-fluorophenyl)methanone
1525.72 1847.30
Bis-D-fructose 2^,1:2,1^-dianhydride
2561.02 3622.63
Bisphenol A glycidylmethacrylate
14616.61 14114.07
Boc-DArg-Gly-Arg-CHO
21826.46 18317.20
Brimonidine
1098.81 1643.26
Bromodeoxyuridine (BrdU)
53358.66 44662.15
Bromothymol blue
493.25 445.80
Bropirimine
1475.30 3021.08
Bufotalin
9811.52 4732.21
Buprenorphine
2932.89 3463.04
butanedioate
5834.89 3061.46
Butylalphaman
6206.94 6386.36
Byssochlamic acid
3310.78 4625.18
Cabergoline
3208.90 3676.85
Cabozantinib (XL184,BMS-907351)
634.21 655.74
Caffeic acid 3-glucoside
18699.59 17731.23
Calcium carbimide
14556.33 12375.60
Calcium Dobesilate
273.49 209.35
Camphoric acid
13263.76 13673.74
Camptothecin
14425.75 16917.43
Carbobenzyloxyglycyl-L-norleucine methyl ester
4730.23 9697.27
Carboxycelecoxib
868.31 1326.56
Carfentrazone-ethyl
7020.99 5829.31
Caribenolide I
45849.10 58446.68
Ceanothine B
2194.88 2045.24
Celastrol
21805.35 31009.83
Chaksine
2368.48 2584.55
Chamazulene
1642.23 1593.32
Chenodeoxycholic acid
3188.60 5916.94
Chenodeoxycholic acid sulfate
391267.64 256180.04
Chloramphenicol sodium succinate
4366.86 3942.55
Chlorophacinone
857.39 747.07
Cholic acid
18793.98 15754.25
Cholic acid methyl ester
1635.45 2098.91
Chrysanthemic acid
596.54 781.61
Cinnamic Acid
25205.36 15596.84
cis-(Homo)3-aconitate
18459.97 22226.22
cis-Pinonic acid
14715.03 20676.11
Citalopram
2220.50 2593.15
Clavamycin B
2825.54 3332.52
Clopyralid
81120.56 81710.42
Combrestatin A4
23905.65 36048.55
Convallagenin A
4694.78 5783.98
Coprine
845.63 856.37
Cortexolone
41583.77 23152.57
Costatol
3242.53 3040.01
Curtisian O
761.82 702.01
Cyclamic acid
638490.26 320604.81
Cyclohexanone
31562.17 13758.12
Cyclopassifloic acid B
1902.86 2220.88
Cys-Leu-Thr
17651.59 22123.95
Cys-Pro
5462.60 6403.97
Cytochalasin Opho
6395.95 8487.98
Dapiprazole
887.25 1107.43
Dapsone hydroxylamine
2765.49 2822.30
D-Arabinono-1,4-lactone
3792.70 4355.10
D-Calcium Pantothenate
37779.38 58268.53
Debromoaplysiatoxin
3964.92 6637.82
Dehydro-L-(+)-ascorbic acid dimer
444.46 459.69
Dehydrolithocholic acid
3338.30 5279.09
Demethyldecarbamoylnovobiocin
5221.18 5128.17
Deoxycholic acid
407845.00 443129.62
Deoxysappanone B 7,3^-dimethyl ether
8435.35 10230.82
Dermatan 4-Sulphate
1328.74 1334.04
Desethyleneciprofloxacin
1635.74 2930.19
Desipramine Hydrochloride
7781.28 7265.60
[Des-Tyr1] beta-Casomorphin,bovine
3792.01 5016.48
D-Glucuronolactone
34544.58 28479.10
Diacetyl-10-gingerdiol
436391.13 723526.75
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazani...
6108.81 6444.79
Dibenzyl Trisulfide
1580.39 1178.30
Dibutyl adipate
1476.73 1533.71
Didecyl hydrogen phosphate
1903.75 2178.67
Diethyl (4-chlorophenyl)(hydroxy)methylphosphonate
1437.53 1307.76
Dihydrocelastryl diacetate
15949.89 19109.82
Dihydrocitronellal
44456.36 43925.31
Dihydroconiferyl alcohol
24198.82 24176.42
Dimepranol
2343.88 2229.97
Dimethyl azelate
1529.33 1310.72
Diminazene Aceturate
4984.76 7310.94
Dinitramine
17577.45 20291.17
Dinoprost tromethamine
768.16 680.49
Dipropyl hexanedioate
4247.92 5766.48
DL-2-Hydroxystearic acid
3702.51 2120.57
DL-b-Hydroxycaprylic acid
88358.35 87240.44
DL-Citrulline
1163.48 1129.80
DL-Indole-3-lactic acid
2977.07 2712.76
DL-Lysine
1930.74 2805.64
D-Mannose
5502.52 4865.33
Dobutamine
80945.75 196213.80
Dodecamethylpentasiloxane
1787.63 1528.14
Dodecanedioic Aicd
95644.84 169626.53
Donepezil HCl
25044.68 27784.21
Doxapram
14225.21 10948.42
D-Quinovose
86048.76 88932.32
D-Xylono-1,4-lactone
211980.56 211831.49
(E)-4-Methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-...
19930.07 18657.25
Ecdysone
1153.60 1906.22
Echinorine
2414.73 4591.37
Elephantoin
4629.29 3423.00
Embelin
7021.51 11490.01
Enalapril
15807.83 14533.77
Encenicline
2342.68 2331.88
Endothal dimethyl ester
2461.46 2894.38
Enterodiol
3866.97 10099.08
Epigallocatechin
48639.46 65545.22
epsilon-Rhodomycinone
1920.96 2448.74
Eremopetasidione
13627.90 12730.42
Erythrose
120796.60 75294.52
Esculetin
9165.31 20814.43
Estradiol acetate
2650.85 4112.07
Ethidimuron
20736.06 24929.73
Ethyl 2,4-dioxohexanoate
2034.18 1724.82
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylat...
1898.52 1751.60
Ethyl 3-sulfamoylbenzoate
1432.47 2043.88
Ethyl 6,7-dichloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylat...
2013.00 1412.63
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5...
2650.71 2855.23
Ethyl 7-bromo-4-oxo-1,4-dihydro-3-quinolinecarboxylate
451.00 655.23
Ethyl furoate
78044.32 61042.60
Ethyl levulinate
3754.24 2464.90
Ethylmalonate
35298.87 47245.57
FAA(17:1)
5762.44 9682.39
FAA(18:1)
37361.29 36315.77
Febantel
765.79 764.34
Fenazaquin
1670.21 2265.49
Fenoldopam
89124.89 82464.47
Fenothiocarb sulfoxide
3082.84 2742.31
Fenpropathrin
35573.38 26438.56
FFA(12:0)
12373.73 2701.01
FFA(14:0)
2933.86 3427.49
FFA(18:0)
421510.82 561970.57
FFA(18:1)
22640.31 17321.25
FFA(18:2)
11547.06 7908.01
FFA(18:3)
8107.11 5056.04
Firefly luciferin
57749.52 53886.96
Flavidulol C
6161.62 6825.11
Floctafenine
1900.22 1766.20
Flunarizine
1266.29 998.70
Fonsecin
6752.12 9810.05
Foridinine
9329.02 17115.91
Frangulin B
729.24 862.01
Fusaproliferin
7846.52 11754.66
Gaboxadol
191626.40 188862.44
gamma-Muricholic acid
4022.72 2942.43
Ganoderol A
213290.63 211328.93
Gentian Violet
874.61 944.28
GlcNAc1-3Gal1-4GlcNAcSp
9754.50 9900.81
Gln-Ile-Ile
1549.95 1542.52
Glu-Lys-Leu-Thr-His
1876.43 2313.36
Glu-Ser
68245.79 36817.25
Glutathione episulfonium ion
21357.00 15988.42
Glu-Val-Ile-Glu
17194.22 10610.31
Glycine deoxycholic acid
7648.93 7389.09
Glycocholic Acid
11283.23 36866.01
Glycolaldehyde
75589.62 76799.94
Glyfoline
82904.58 90085.61
Gly-Leu-Arg
7283.76 6874.07
Gly-Norvaline
1551.33 2962.15
Gly-Pro-Glu
1253.62 1223.77
Guanosine
5575.07 6437.32
Helicin
1899.40 1330.54
Hemibrevetoxin B
3765.88 4300.18
Hendecanoic Acid/Undecanoic Acid(C11:0)
17454.62 17502.14
Hercynine
2237.00 2477.25
Hexadecanedioic acid
3622.46 4547.80
His-Gln-Val-Lys
1794.73 2177.91
His-Leu-Thr-Lys
17073.43 16707.87
Histamine dihydrochloride
10171.97 6446.50
Histidinyl-Histidine
8381.65 14713.32
HSO3-
38731.15 34121.20
Hydralazine
1586.36 1444.66
Hydrocinnamic Acid
9436.79 4510.19
Hydrocortisone
2087.53 9429.84
hydrogen sulfite
5411.33 4727.63
Hydroxyatrazine
20651.16 17802.88
[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
2661.41 2874.91
Hymenoxon
11813.47 21505.11
Hyodeoxycholic acid
234568.71 251460.69
Hypoxanthine
28325.35 29887.71
Icaceine
3657.16 2979.52
Ile-Arg-Asn-Asp
7635.93 7193.26
Ile-Asp-Tyr-Lys
73837.53 77090.93
Ile-HoPhe-OH
108769.67 105698.61
Ile-Phe-Asp-Arg
249254.13 269818.72
Ile-Val-Lys-Trp-Asp
96914.99 178320.98
Imiprothrin
654.19 884.50
Indole
981.28 838.62
Indole-2-carboxylic acid
7113.54 2750.51
INDOLE-3-ACETATE
4319.84 4089.09
Indole-3-carbinol
1947.68 1804.85
Indole-3-carboxylic acid
42187.35 40824.18
Indole-3-lactic acid
232001.03 199417.38
Indole-4-carboxaldehyde
22283.03 22091.63
Indoleacetaldehyde
23926.32 22195.45
Indomethacin N-octyl amide
9099.90 10901.48
Inosine
37448.29 40350.34
Iprodione
1209.91 2329.05
Isobutyl salicylate
5407.37 3393.04
Isochromophilone IV
1722.72 2969.14
Isodeoxycholic acid
27615.78 22028.83
Isodonal
2599.13 2515.27
Isoproterenol sulfate dihydrate
1204.27 1129.03
Isosakuranetin
26225.33 59059.89
Isovaleric acid
147453.71 159602.42
Jamaicamide B
6456.60 20095.56
keratan sulfate I
14153.49 18102.57
Kuraridinol
229570.22 139609.04
Kurarinol
186087.70 318407.65
L-2-amino-6-oximelic acid
25685.53 37525.90
Lappaol C
2172.46 2373.78
L-Asparagine Anhydrous
1117.97 3125.72
Latanoprost-d4
1940.48 2406.88
Lenacil
4689.91 4109.85
Leu-Asn-Arg-Glu
37267.62 48348.59
Leu-Glu-Ile-Glu
5050.05 5465.56
Leu-Ile-Ser-Glu
184515.88 109243.02
Leu-Leu-Leu-Ala-Ala
2789.46 2773.39
Leu-Phe-Ala-Glu
5380.87 5659.17
Leu-Thr-Ser-Lys-Tyr
4782.11 8424.23
L-Homoarginine
5338.76 6516.35
Licoriisoflavan A
24618.33 20322.30
l-Isoleucine
97536.04 158832.27
Lithocholic acid
23675.78 24483.84
L-Leucyl-L-Alanine
4905.74 4358.56
L-Norleucine
5486.23 8563.43
Loganic acid
8359.62 9015.43
Lolitriol
53206.19 85169.44
Loperamide
780.87 706.70
Lovastatin hydroxy acid
9854.51 8111.13
Loxoprofen
795.73 1337.72
LPC(0:0/18:2)
6169.49 5602.00
LPE(16:0/0:0)
7714.31 9254.98
LPE(16:1/0:0)
2711.14 2987.46
LPE(18:1/0:0)
13600.83 16138.60
L-Phenylalanine
113169.46 158743.84
L-Pyroglutamic acid
2424.39 4105.46
L-Rhamnose
343298.98 331251.56
L-Stercobilinogen
77511.30 125248.36
L-Tryptophan
10741.91 15707.30
Lucidenic acid D1
36249.88 34806.09
Lucidenic acid K
205918.95 286965.37
Luciferyl sulfate
374.33 261.38
Lys-Lys-OH
71501.93 56157.86
Lysopc 16:0
6594.98 8106.20
Lys-Ser-Thr-Leu-Thr
4418.48 4831.43
Lys-Tyr-Ile-Glu
43041.97 66071.11
Macrocarpal B
1562.67 1743.93
Malathion monocarboxylic acid
3149.25 4181.03
Matteucinol
19695.31 23053.40
Meclofenoxate
1161.57 1151.70
Melithiazole E
3835.34 4106.51
Mequitazine
620.48 869.92
Merazolam
16669.00 16753.05
Metalaxyl
1885.87 2748.07
Metaldehyde
14918.05 18309.36
Metformin HCl
6357.62 8516.04
Methanedithiol
1176621.23 1222721.97
Methazolamide
2352.49 2171.68
Methoxyflurane
889.74 632.95
Methyl 1-piperazinecarboxylate
906.08 1861.70
Methyl 2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tet...
15737.90 13815.67
Methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-c...
2567.22 3710.84
Methyl 2-bromobenzo[d]thiazole-6-carboxylate
1370.74 1266.19
Methyl 5-[(2,4-dichlorophenoxy)methyl]-2-furoate
1966.68 1733.14
Methyl 5-bromo-3-pyrrolecarboxylate
6322.29 6074.87
Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxy...
3946.27 2123.34
Methyl(9Z)-8^-oxo-6,8^-diapo-6-carotenoate
14079.03 15679.63
Methyl cellulose
218577.35 191447.70
Methyl Indole-3-Acetate
15347.21 14383.22
Methylphosphate
5958.18 5756.16
Methylthiouracil
4970.23 2732.10
Metsulfovax
2202.10 1526.43
Mevalonic acid 5-pyrophosphate
2180.80 2659.55
Midodrine
7779.99 7175.86
Milameline
1898.33 2765.60
Miserotoxin
1151.26 1427.28
Mitraphyllic acid
7136.49 7289.78
Moclobemide
1068.34 1158.99
Monohydroxyperhexiline
3592.33 4064.09
Monoolein
19522.45 7323.13
Monuron
64560.48 62065.77
Morphiceptin
550.27 564.35
Mycocyclosin
3132.26 4982.10
N-1,3-Benzothiazol-2-yl-3-oxobutanamide
1119.90 1308.12
N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-toly...
4940.12 5265.23
N-(1-Naphthyl)ethylenediamine
9294.33 4461.18
N-[1-Oxo-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propyl]glycine
726.55 917.92
N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]...
19332.79 25232.61
N-(2-aminoethyl)-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methy...
1137.63 1339.49
N2-Benzyl-N4-cyclohexyl-6-methyl-2,4-pyrimidinediamine
1152.42 1851.30
N-(2-Chloro-5-nitrophenyl)acetamide
2631.61 2756.55
N-(2-Methoxyphenyl)-2-pyridinecarbimidothioic acid
573.94 684.47
N-(2-Phenylethyl)-N^-(2-pyridinyl)thiourea
1212.68 1340.31
N3^-Acetylneomycin
27489.68 40081.86
N-(3-Bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide
2379.67 2006.94
N-(3-Bromophenyl)-7H-purin-6-amine
1063.04 1171.82
N-(3-Bromophenyl)cyclohexanecarboxamide
13471.31 9316.10
N4-(3-Bromophenyl)quinazoline-4,6-diamine
24496.59 13826.92
N-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
8058.53 5564.19
N-{4-[Acetyl(methyl)amino]phenyl}-2-chloroacetamide
696.11 974.95
N-(4-Methoxyphenyl)-2-nitro-1-benzothiophen-3-amine
1385.18 1477.94
N-[(4-Methylphenyl)sulfonyl]benzencarbothioamide
2947.81 2455.45
N-(4-Methylsulphonyl-3-nitrophenyl)piperazine
3039.34 1749.62
N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
382.35 412.06
N-(5-Chloro-2-phenoxyphenyl)thiophene-2-sulfonamide
7899.25 5106.62
n5-Iminoethyl-l-ornithine
136113.46 103841.80
N-(5-Methyl-2-pyridinyl)-N^-(2-phenylethyl)thiourea
1636.11 2825.44
N6-Carbamoyl-DL-Lysine
15368.91 14731.41
N6-Methyladenine
23143.24 14139.67
N^-Acetyl-4-bromobenzohydrazide
11597.57 2691.84
N-Acetylaspartate
23220.12 26932.60
N-Acetyl-D-fucosamine
3734.75 3706.58
N-Acetyl-D-Glucosamine
158382.79 52693.32
N-Acetyl-DL-glutamic acid
1115.36 1512.55
N-Acetylprocainamide
7096.96 13638.79
N-acetyl-S-geranylgeranyl-L-Cysteine
10090.81 9070.59
N-Allyl-N^-(3-chlorophenyl)thiourea
2321.41 2854.44
Neamine
17190.36 23088.77
Neferin
1945.03 3294.70
Nefiracetam
10027.40 2572.07
Nefopam
15483.35 13914.48
Neurosporaxanthin
7094.31 6708.90
Nevirapine
11742.69 5533.53
N-Heptanoylhomoserine lactone
2039.46 2257.53
N-hydroxy-9-methylsulfanylnonanethioamide
709.21 927.15
Nicotinate
1154.10 2608.48
Nitazoxanide
47837.03 50555.86
Nitroarginine
1174.32 891.21
Nitrogen chloride (NCl3)
20395.14 18440.12
N,N-Dimethyl-4-(6-methylbenzo[d]thiazol-2-yl)aniline
2614.84 1787.21
N,N-Dimethylarginine
7984.32 5886.01
N-Nitrosomethylvinylamine
10077.52 10234.00
Norambreinolide
24421.02 22074.09
Nordihydroguaiaretic acid
4365.74 6398.35
Nor-ketotifen
2828.12 2600.36
N-(p-Hydroxyphenethyl)actinidine
1324.58 2175.01
N-Stearoyltaurine
10790.89 13147.83
(N-Sulfoindol-3-yl)methylglucosinolate
352.81 386.34
O-Acetyl-L-homoserine
14499.23 21032.54
o-Chloroacetanilide
597.12 647.08
Octyl alpha-ketoglutarate
1685.50 1667.82
Orotidylic acid
3710.21 3808.98
Orphenadrine Citrate
962.11 790.89
Ortophosphate
520323.32 483841.45
Ovalicin
18118.53 22122.36
Oxibendazole
4517.25 4485.10
Oxyfluorfen
3374.15 3000.57
Oxymetazoline hydrochloride
1516.38 1193.04
Oxypyrithiamine
2068.80 1554.57
Palmitic acid
7874.80 8388.88
Palmitic acid alkyne
1480.37 1699.49
Palmitoleic acid
1559.37 2181.94
Pantothenic acid
1630.63 1784.03
Paramethadione
12327.97 16002.76
Paspaline B
1331.42 1249.33
P-chlorophenylalanine
9687.41 9604.37
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
2614.65 2415.70
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
939.53 915.96
Pentadecafluorooctanoic Acid
3004.60 3641.18
Pentadecanoic acid
2671.87 3868.20
PG(18:1(9Z)/0:0)
25272.42 22905.05
PGF2 Alcohol methyl ether
11464.03 2185.97
Phe-Ala-Thr-Asp-Asp
5687.73 7200.19
Phe-Arg
3609.47 2674.28
Phe-Ile-Asp-Leu-Asn
11063.36 13046.65
Phenol glucuronide
2730.54 2557.61
(Phenoxymethyl)penicilloic acid
3060.57 2626.09
Phenyl 1-piperidinecarboxylate
4842.81 5132.20
Phenylacetic acid
76052.98 31620.40
Phe-Trp-Trp
1053.59 1189.78
Phosalone
2167.41 2128.09
phosphono dihydrogen phosphate
4473.76 4330.27
Phosphoric acid
626711.75 727297.79
p-Hydroxybenzyldesulphoglucosinolate
4198.16 3457.85
P-Hydroxyphenylacetylglycine
2920.73 2049.22
Picoxystrobin
641.26 725.63
Picrocrocin
2238.65 1385.80
Pimelic acid
30382.17 22197.38
Pinoresinol
5158.55 6176.01
Piperacillin
3754.74 3383.97
Pivalic acid
1718.63 2474.68
p-Methoxytodadiol
6362.00 5913.78
Polydatin
5826.10 6863.34
Polythiazide
2578.65 3403.28
Pomalidomide
817.01 1038.72
Prazosin
44321.20 10268.09
Prednisolone
23937.13 37959.05
Pregnanolone Sulphate
18725.27 16759.87
Pro-Pro-Ala-Ala-Ile
3279.35 4187.37
Propylene glycol
7167.75 10311.72
Psychotrine
2660.08 1905.68
Pteridine
12952.89 15044.73
Purine
2910.84 7005.38
Pyrazino[1^,2^
2769.86 3227.17
Pyrenophorol
7970.41 7508.74
Pyrithione zinc
2756.39 2557.43
PyroGlu-Met-Arg
904.49 670.26
Pyrrhoxanthinol
2630.52 3449.70
Pyrrolidine
2265.14 3036.33
Quinidine
1809.60 2358.75
Quinoxaline
4450.83 5695.38
(R)-10-Hydroxystearate
1457.52 950.23
Reproterol
1084.64 1392.28
Retamine
643.79 850.55
Retinoyl beta-glucuronide
3542.24 3271.55
Rhodinyl propionate
367.58 221.23
Ribociclib (LEE011)
936.14 1196.03
(-)-Riboflavin
1758.08 2112.95
Riesling acetal
14799.56 13896.07
Rigin
21405.58 31540.72
Ripazepam
725.35 676.67
Rottlerin
15380.46 8244.24
(S)-3-Methyl-2-oxopentanoic acid
11159.49 15697.99
S-Adenosyl-L-Methionine
28085.11 7644.15
Sebacic acid
3116.36 3450.56
Secoeremopetasitolide B
16153.32 15172.01
Selinexor (KPT-330)
656.55 1124.72
Semilepidinoside A
746.72 671.68
Ser-Arg-Phe-Lys
6976.12 17227.75
Ser-His-Val-Lys
8234.61 21697.63
Ser-Ile-Phe-Glu
15331.91 17711.49
Ser-Leu-Ser-Gly-Leu
7574.87 10743.20
Ser-Ser-Gly-Arg-Ser
1197.15 1182.19
(S)-Glutamic acid
7319.51 13699.21
Shanzhiside
4384.32 4281.31
Simvastatin
1050.68 1353.41
Slaframine
939.93 881.09
(S)-Malate
6712.39 8600.76
(S)-O-Desmethyl Naproxen
974247.83 995067.74
Solasodine
2980.27 3077.99
Sorbitol 6-phosphate
33976.65 16242.42
Spectinomycin
7314.06 9885.13
Sphingosine 1-phosphate
94166.93 119169.09
Spongothymidine
1733.22 1788.45
(S)-Pterosin K
2543.22 2795.25
Starch acetate
124107.35 63603.17
Stebisimine
987.05 1119.15
(-)-Stercobilin
30243.98 63658.67
Stercobilin
16425.71 20346.78
(S)-tert-Butyl 2-((tosyloxy)methyl)morpholine-4-carboxylate
497.11 427.37
Subericacid
20432.89 25333.11
Succinic acid
1622.75 544.31
Succinic Acid
43485.15 18247.26
Succinic acid-2,2,3,3-d4
36625.00 36984.74
Succinylproline
490.22 576.18
Sucralose
121304.09 69368.37
Sudan I
2642.12 2155.98
Sulfate
531288.77 455252.65
Sulfolithocholic acid
67502.08 51247.88
Sulfuric acid
717508.37 685954.79
Sulpiride
22364.11 28234.73
Taurochenodesoxycholic Acid
17137.29 4831.11
Taurolithocholic acid
4844.37 12078.77
Terephthalic Acid
58542.03 12562.66
Terpentecin
2330.23 1891.96
tert-butyl-[(1R)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]aza...
4374.39 6236.69
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylat...
2524.27 2461.10
Testolactone
6841.18 6517.03
Tetradecanedioic acid
10471.67 12939.31
Tetrahca
1773.04 2209.59
Tetrahydrodipicolinate
2507.55 2903.60
Tetranor-12(R)-HETE
9990.42 5738.91
tetranor-PGEM-d6
1075.10 1680.47
Thapsigargin
29009.54 43300.11
Thiamine disulfide
1330.29 1352.26
Thiobinupharidine
3084.81 3446.22
Thiodiacetic acid sulfoxide
2524.56 3569.67
Thiosulfate
169275.25 140799.76
Thiosulfuric acid
84936.22 76854.97
Thonzylamine
90681.27 69471.27
Thr-Arg
1919.60 2142.31
Thymidine
4989.49 9695.04
Tingenin B
3468.29 3641.51
Tivozanib (AV-951)
566.49 611.74
Tofisopam
14913.17 19484.25
Tolterodine tartrate
891.03 845.24
Trandolaprilat
2434.48 3998.63
trans-4-Hydroxycyclohexanecarboxylic acid
9057.48 20537.79
Tributyrin
3106.30 3600.27
Tricarballylic acid
7468.00 6326.45
Trichloroacetic acid
7866.17 9246.75
Triclopyr
4208.49 5160.72
Triclopyr-2-butoxy ethyl ester
2946.85 3898.75
Tridecanoic acid
5038.40 7468.72
Triethylene glycol diglycidyl ether
1474.91 1859.25
Triethylene glycol methyl ether methacrylate
1140.81 1440.43
Trilostane
8775.93 5258.16
Trimethadione
5517.45 7866.19
Trimethaphan
659.92 692.87
Trimethylenetetraurea
1198.62 1042.01
Tripelennamine
1377.48 2567.78
Trp-His-OH
27096.92 9147.37
TxB3 [9alpha,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic...
5778.15 3932.03
Tyr-Glu-Gln-Asp
9742.92 11719.58
TyrMe-HoPhe-OH
611.94 1043.42
Undecanedioic acid
5182.32 8275.32
uridine
4188.34 5086.84
Urobilinogen
7561.87 8564.13
Urolithin A
198019.20 139652.44
Ursocholic acid
6761.56 12864.54
Ursodeoxycholic Acid
401079.55 1202151.95
Val-Glu-Thr-Glu
123680.95 141004.37
Valnemulin HCl
970.88 965.79
Valproic acid beta-D-glucuronide
102494.42 48374.77
Varanic acid
2840.18 2532.85
Verruculogen
460.68 490.88
Vinpocetine
8873.11 8330.69
Vinyl chloride
8507.91 9690.40
Westiellamide
4746.39 5859.98
Xanthine
82778.51 157759.91
xi-7-Hydroxyhexadecanedioic acid
1516.04 1562.77
Zalcitabine
4339.27 3359.15
Zanubrutinib (BGB-3111)
3744.07 6287.33
(Z)-Dimethylvinphos
8689.42 7266.16
Zinc lactate
11920.70 10873.25
Ziprasidone
2335.79 2328.41
Zoniporide
3379.72 4526.27
Zoxazolamine
5809.54 18136.71
Zygadenine
1456.04 1753.70
(卤)-3-Hydroxynonanoic acid
5510.14 4465.10

Factors:

F1Status:non-sarcopenia
F2Status:sarcopenia
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