Data for ST002823
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-Hendecenoic acid | 8730.20 | 7336.36 | 7345.75 | |
| 1-(10Z-Heptadecenoyl)-sn-glycero-3-phosphocholine | 30769.60 | 31479.73 | 37608.88 | |
| 11(12)-EET | 92787.80 | 119951.36 | 88069.75 | |
| 11alpha-Hydroxyprogesterone | 93018.30 | 81651.18 | 53690.25 | |
| 11beta-Hydroxyprogesterone | 114170.20 | 103026.91 | 88815.25 | |
| 11-Dehydrothromboxane B2 | 4705.70 | 3921.91 | 5014.38 | |
| 11-Deoxy-11-methylene-15-ketoprostaglandin D2 | 50796.70 | 48188.91 | 45339.12 | |
| 11-Deoxyprostaglandin E1 | 178718.90 | 197046.73 | 144834.38 | |
| 11-Deoxyprostaglandin F1alpha | 8713.40 | 10915.00 | 10867.88 | |
| 1,2,3-Benzenetricarboxylic acid, trimethyl ester | 4330.90 | 4559.30 | 5392.43 | |
| 1,2-Benzenedicarboxylic acid, dinonyl ester | 29260.50 | 35473.73 | 26080.75 | |
| 12-Ketodeoxycholic acid | 1479541.30 | 1470815.36 | 1004157.71 | |
| 12-Oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid | 24421.40 | 24476.18 | 27547.50 | |
| 13,14-Dihydro-15-ketoprostaglandin D1 | 484845.90 | 496611.55 | 420382.14 | |
| 13,14-Dihydro-15-ketoprostaglandin E1 | 156525.90 | 151476.00 | 134747.00 | |
| 13,14-Dihydro-15-ketoprostaglandin J2 | 37408.70 | 37629.55 | 50457.50 | |
| 13,14-Dihydro-15-keto-tetranor prostaglandin F1beta | 751043.60 | 686795.82 | 748851.50 | |
| 13,14-Dihydro-19(R)-hydroxy Prostaglandin E1 | 11667.20 | 11918.73 | 18807.38 | |
| 1,3,5-O-Methylidyne-2,4,6-tri-O-benzyl-myo-inositol | 68095.80 | 76095.91 | 54943.12 | |
| 1,3-Dicyclohexylurea | 7304.50 | 7130.73 | 5815.88 | |
| 13(S)-HODE methyl ester | 344593.00 | 228616.09 | 197339.50 | |
| 14(15)-EpETE | 67004.30 | 84788.00 | 69578.38 | |
| 14,15-Leukotriene E4 | 44002.90 | 43738.09 | 38645.25 | |
| 1-(4-(4-Methoxyphenyl)-5-(1-naphthylimino)-4,5-dihydro-1,3,4... | 21422.50 | 27125.82 | 15680.50 | |
| 14(Z)-Eicosenoic acid | 160713.90 | 113962.73 | 143799.38 | |
| 15-Cyclohexyl pentanor prostaglandin F2alpha | 75640.30 | 48692.45 | 46878.50 | |
| 15-Deoxy-DELTA12,14-prostaglandin J2-2-glycerol ester | 54710.50 | 45248.00 | 45585.75 | |
| 15-Deoxy-DELTA12,14-prostaglandin J2-biotinamide | 23792.40 | 25509.55 | 28419.88 | |
| 15-Ketoprostaglandin E1 | 151539.30 | 136254.64 | 125045.00 | |
| 15-Ketoprostaglandin E2 | 162535.40 | 149579.36 | 187942.75 | |
| 15(R)-15-Methylprostaglandin F2alpha methyl ester | 25729.50 | 23029.09 | 22297.00 | |
| 15(R),19(R)-Hydroxyprostaglandin E1 | 33662.20 | 30262.91 | 23134.38 | |
| 15(R),19(R)-Hydroxyprostaglandin E2 | 75122.90 | 73518.91 | 62565.88 | |
| 15(R),19(R)-Hydroxyprostaglandin F1alpha | 99556.00 | 78219.45 | 67490.12 | |
| 15(R),19(R)-Hydroxyprostaglandin F2alpha | 48684.90 | 42465.18 | 58862.50 | |
| 15(R)-Methylprostaglandin A2 | 77127.10 | 71484.91 | 44422.38 | |
| 15(S)-15-Methylprostaglandin E2 | 56314.00 | 51154.82 | 53446.62 | |
| 15(S)-15-Methylprostaglandin F2alpha ethyl amide | 36100.30 | 35452.64 | 26631.50 | |
| 15(S)-HETE ethanolamide | 42403.50 | 39454.73 | 28475.25 | |
| 16,16-Dimethyl-6-ketoprostaglandin E1 | 11334.44 | 11751.70 | 15020.50 | |
| 16,16-Dimethylprostaglandin D2 | 54065.70 | 42701.27 | 18652.50 | |
| 16,16-Dimethylprostaglandin E1 | 1583040.60 | 1585232.91 | 1145026.50 | |
| 16,16-Dimethylprostaglandin E2 p-(p-acetamidobenzamido) phen... | 19605.20 | 22447.91 | 10799.38 | |
| 16,16-Dimethylprostaglandin F2alpha | 155041.40 | 156276.55 | 155544.25 | |
| 1,6-Anhydro-beta-D-glucose, permethyl- | 89577.40 | 79098.09 | 52789.50 | |
| 16-Phenoxy tetranor prostaglandin A2 | 5832.80 | 2920.64 | 1531.25 | |
| 16-Phenyl tetranor prostaglandin F2alpha | 53060.10 | 41591.00 | 52764.38 | |
| 17(18)-EpETE | 80042.00 | 101313.82 | 89907.12 | |
| 17,20,21-Trihydroxypregn-1-ene-3,11-dione | 68672.60 | 58262.36 | 60982.25 | |
| 17,20-Dimethyl Prostaglandin F1alpha | 11839.89 | 12128.00 | 47119.29 | |
| 17alpha-Hydroxypregnenolone | 93917.20 | 87826.64 | 75184.12 | |
| 17-Epiestriol | 34503.50 | 33171.64 | 38151.00 | |
| 17-Keto-(7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid | 177522.20 | 137270.27 | 78922.38 | |
| 17-Octadecynoic acid | 628349.50 | 506888.36 | 369975.00 | |
| 17-Phenoxy trinor prostaglandin F2alpha | 33751.70 | 38576.55 | 32776.86 | |
| 17-Phenyl trinor prostaglandin D2 | 63941.50 | 53314.00 | 45251.00 | |
| 17-Phenyl trinor prostaglandin E2 ethylamide | 30036.00 | 37607.18 | 35867.62 | |
| 17-Phenyl trinor prostaglandin F2alpha cyclohexylamide | 13970.78 | 15639.09 | 8747.57 | |
| 17-Phenyl trinor prostaglandin F2alpha cyclopropyl methyl am... | 37742.40 | 35898.82 | 44211.25 | |
| 17-trans-Prostaglandin E3 | 8674.70 | 9395.09 | 9403.88 | |
| 17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin ... | 58876.00 | 84285.18 | 166654.75 | |
| 17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin ... | 201785.20 | 233508.27 | 148585.88 | |
| 17-Trifluoromethylphenyl trinor prostaglandin F2alpha methyl... | 86915.50 | 91489.00 | 112757.88 | |
| 18alpha-Glycyrrhetinic acid | 131310.40 | 123953.73 | 141314.12 | |
| 18-Carboxy dinor leukotriene B4 | 8197.12 | 9175.75 | 6923.20 | |
| 19,20-DiHDPA | 110364.70 | 114794.00 | 28601.25 | |
| 19(R)-Hydroxyprostaglandin B2 | 231763.30 | 326792.18 | 238706.75 | |
| 19(R)-Hydroxyprostaglandin F2alpha | 91877.10 | 90223.82 | 236878.62 | |
| 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine | 55395.80 | 51769.55 | 75015.25 | |
| 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine | 47566.44 | 48209.67 | 266401.12 | |
| 1a,1b-Dihomo-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid | 252718.70 | 211951.00 | 177205.00 | |
| 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine | 23915.50 | 21247.09 | 18547.62 | |
| 1-Hexadecanoyl-sn-glycero-3-phosphocholine | 71596.50 | 51319.45 | 94213.00 | |
| 1-Hexadecanoyl-sn-glycerol | 246453.40 | 145398.18 | 35978.75 | |
| 1H-Indole-2-carboxylic acid, ethyl ester | 18866.33 | 25203.00 | 19997.88 | |
| 1H-Indole-3-propanoic acid | 10136.70 | 10136.00 | 10353.50 | |
| 1H-Indole-4-carboxaldehyde | 3862.20 | 3947.73 | 2397.50 | |
| 1-Linoleoylglycerol | 194583.70 | 181602.36 | 284435.88 | |
| 1-Methyl-4-pyridone-5-carboxamide | 5575.60 | 5139.73 | 13422.12 | |
| 1-Nonadecanoyl-sn-glycero-3-phosphocholine | 12695.70 | 9456.27 | 8668.75 | |
| 1-Palmitoyl-2-glutaryl phosphatidylcholine | 12870.50 | 11670.64 | 9408.00 | |
| 1-Pentadecanoyl-sn-glycero-3-phosphocholine | 26195.22 | 18095.27 | 12902.00 | |
| (1S,2R)-2-(Diethylamino)-1-phenyl-1-propanol | 207950.60 | 217091.09 | 66720.00 | |
| 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine | 3117.90 | 3330.09 | 3286.00 | |
| 1-Stearoyl-2-linoleoyl-sn-glycerol | 26705.30 | 26745.82 | 25946.38 | |
| 20a,20b-Dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic ... | 25020.80 | 25292.91 | 30605.38 | |
| 20-HETE ethanolamide | 36122.70 | 37213.00 | 34208.50 | |
| 20-Hydroxycholesterol | 68066.90 | 68450.36 | 65552.50 | |
| 2-(14,15-Epoxyeicosatrienoyl)glycerol | 302410.20 | 279441.73 | 333402.25 | |
| 21-Hydroxyprogesterone | 59858.90 | 64529.00 | 40182.62 | |
| 2,2-Bis[hydroxymethyl]-2,2^,2^^-nitrilotriethanol | 4946.40 | 4503.73 | 915.38 | |
| 2-(2-Chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione | 165312.70 | 227901.73 | 142776.75 | |
| 2,2^-Dihydroxy-4^,6^-dimethoxychalcone | 4835.70 | 3500.00 | 3830.25 | |
| 2,3-Naphthalenedicarboxylic acid | 4913.40 | 5457.70 | 4380.25 | |
| 2^,4^,6^-Trimethoxychalcone | 15320.00 | 12689.55 | 2025.00 | |
| 2^,4^-Dihydroxy-2,3-dimethoxychalcone | 10313.20 | 10117.18 | 5408.88 | |
| 2^,4^-Dihydroxyflavone | 7886.90 | 8973.45 | 6099.75 | |
| 2^,4^-Dimethoxy-3-hydroxyflavone | 24355.90 | 33820.91 | 26834.62 | |
| 2,5-Di-tert-butyl-1,4-benzoquinone | 23821.00 | 23032.36 | 20157.75 | |
| 2,6-Diaminopimelic acid | 9469.80 | 7303.73 | 12217.75 | |
| 2^,6^-Dimethoxychalcone | 26337.50 | 27189.36 | 7694.86 | |
| 2alpha-Hydroxytestosterone | 277020.40 | 157441.09 | 179177.88 | |
| 2-Amino-1-phenylethanol | 294000.80 | 329884.45 | 231986.50 | |
| 2-Amino-5,8-dihydro-1H-pteridine-4,6,7-trione | 30034.40 | 32289.73 | 11139.50 | |
| 2-Amino-5-nitrobenzophenone | 44299.50 | 44959.55 | 19633.50 | |
| 2-Aminoisobutyric acid | 1349982.90 | 449855.91 | 11409019.62 | |
| 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- | 15443.00 | 9909.50 | 17055.50 | |
| 2-Chloroadenosine | 19390.10 | 24282.00 | 10726.62 | |
| 2^-Deoxycytidine 5^-monophosphate | 6029.90 | 7349.91 | 4451.38 | |
| 2-Ethylcyclohexanol | 3591.60 | 3949.20 | 1929.12 | |
| 2-Fluoro-5-nitrobenzaldehyde | 44627.89 | 42460.82 | 52002.25 | |
| 2^-Hydroxy-2,5,6^-trimethoxychalcone | 48313.90 | 41824.27 | 27537.75 | |
| 2^-Hydroxy-5^-methoxyacetophenone | 14058.90 | 11387.73 | 12912.38 | |
| 2-Hydroxychalcone | 42844.70 | 43249.45 | 65604.75 | |
| 2-Keto-L-gulonic acid | 5044.10 | 6171.18 | 3495.25 | |
| 2-Nitro-4-(trifluoromethyl)benzaldehyde | 712615.10 | 826417.00 | 415983.12 | |
| 2-Phenylethynesulfonamide | 74626.10 | 105101.55 | 60050.88 | |
| 2-Propenoic acid, 3-(4-methoxyphenyl)- | 69035.20 | 99579.27 | 74667.88 | |
| 3,2^,4^,5^-Tetramethoxyflavone | 700218.70 | 729346.91 | 518290.62 | |
| 3,2^-Dimethoxyflavone | 4595.10 | 3087.36 | 3945.38 | |
| 3-(2-Pyridyl)propan-1-ol | 54471.90 | 57923.73 | 35307.88 | |
| 3-(3,4-Dimethoxyphenyl)-4,6-dimethylcoumarin | 75144.80 | 79300.36 | 25886.62 | |
| 3-(3,4-Dimethoxyphenyl)-6-methoxy-4-methylcoumarin | 108194.40 | 104804.82 | 149557.57 | |
| 3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-phenylcoumarin | 29250.00 | 30289.55 | 23744.25 | |
| 3-(3,4-Dimethoxyphenyl)-7-methoxy-4-phenylcoumarin | 2817.90 | 3556.55 | 6496.75 | |
| 3-(3,4-Dimethoxyphenyl)-7-methoxycoumarin | 6887.20 | 8439.36 | 5219.12 | |
| 3-(3,4-Dimethoxyphenyl)-7-methyl-4-phenylcoumarin | 3603.30 | 4923.18 | 4864.43 | |
| 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate | 30785.80 | 36803.27 | 23029.88 | |
| 3,4^-Dihydroxyflavone | 16869.50 | 22446.09 | 17329.25 | |
| 3,4-Dihydroxy-L-phenylalanine | 169915.80 | 164346.64 | 80255.12 | |
| 3,4-Dimethoxy-2^-hydroxychalcone | 6278.00 | 10513.27 | 10924.00 | |
| 3^,4^-Dimethoxy-3-hydroxy-6-methylflavone | 16826.00 | 14489.09 | 6649.38 | |
| 3,4-Dimethoxybenzoic acid | 12742.60 | 13628.00 | 14422.62 | |
| 3,4-Diphenyl-7-methoxycoumarin | 139083.80 | 169249.82 | 113099.88 | |
| 3,5,3^,5^-Tetra-tert-butyldiphenoquinone | 48193.10 | 40673.50 | 34022.00 | |
| 3,5,7-Trihydroxy-3^,4^,5^-trimethoxyflavone | 28249.40 | 28555.73 | 31562.50 | |
| 3,5-Dihydroxyflavone | 8085.50 | 5640.00 | 4090.00 | |
| 3^,5^-Dimethoxy-3,5,7,4^-tetrahydroxyflavone | 17644.90 | 19410.45 | 18593.75 | |
| 3,6,2^-Trihydroxyflavone | 11533.00 | 9789.45 | 9182.38 | |
| 3,6-Dimethylchromone | 17020.90 | 21894.55 | 57772.88 | |
| 3,7,3^,4^,5^-Pentahydroxyflavone | 46676.44 | 52764.20 | 20525.88 | |
| 3,7-Dihydroxy-3^,4^-dimethoxyflavone | 12631.80 | 7348.73 | 4289.50 | |
| 3alpha,17alpha,21-Trihydroxy-5beta-pregnane-11,20-dione | 157465.20 | 179569.18 | 124421.88 | |
| 3-Amino-3-(2-chlorophenyl)propionic acid | 2868.70 | 2461.09 | 2934.88 | |
| 3-Amino-3-(4-methylphenyl)propionic acid | 1274.90 | 2085.55 | 1766.25 | |
| 3-Amino-4-hydroxyphenyl sulfone | 5774.70 | 5825.45 | 21164.38 | |
| 3-Aminocoumarin | 3249.20 | 4095.91 | 748.38 | |
| 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide | 70445.90 | 67672.45 | 60072.75 | |
| 3beta-Hydroxy-5-cholenoic acid | 3327356.90 | 4074699.45 | 1082341.88 | |
| 3^-Dephospho coenzyme A | 930.20 | 1082.91 | 1588.38 | |
| 3-Hydroxy-3-(2-(2-hydroxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-... | 21488.80 | 18551.45 | 47557.12 | |
| 3-Hydroxy-3^,4^,5^-trimethoxyflavone | 56517.00 | 64944.73 | 48635.12 | |
| 3-Hydroxy-6,2^,4^-trimethoxyflavone | 53320.20 | 66816.64 | 55689.62 | |
| 3-Hydroxycoumarin | 554563.40 | 665712.18 | 418770.88 | |
| 3-Hydroxyflavone | 328497.20 | 497697.73 | 349138.38 | |
| 3-Hydroxyoctadecanoic Acid | 842998.80 | 791109.82 | 374360.12 | |
| 3-Methoxyprostaglandin F1alpha | 118530.80 | 69042.64 | 77108.00 | |
| 3-(N-Morpholino)-2-hydroxypropane sulfonic acid | 1002523.50 | 810706.45 | 2236238.88 | |
| 3-Phenoxypropionic acid | 1115663.50 | 1590686.09 | 1084451.25 | |
| 3-Phosphoglyceric acid | 8974.70 | 8450.60 | 7847.50 | |
| 3^-Sialyllactose | 3854.00 | 6527.09 | 5624.62 | |
| 4,2^-Dihydroxy-3-methoxychalcone | 2841.50 | 2439.55 | 1915.38 | |
| 4^,6-Dimethoxyisoflavone-7-O-beta-D-glucopyranoside | 21358.70 | 21882.45 | 13464.25 | |
| 4,6-Dimethyl-3,7-di(4-methoxyphenyl)-2,8-dioxo-2H,8H-benzo(1... | 57186.70 | 50526.00 | 51541.25 | |
| 4-Chloro-3-sulfamoylbenzoic acid | 90098.70 | 94803.00 | 33665.00 | |
| 4-Chloromethandienone | 21763.40 | 21986.82 | 18221.12 | |
| 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid | 10134.40 | 14097.45 | 4532.12 | |
| 4-Hydroxybenzaldehyde | 1853.20 | 2138.45 | 2347.38 | |
| 4-Methyl-2^,4^,6^-trimethoxychalcone | 65794.10 | 43469.45 | 36054.50 | |
| 5,2^-Dimethoxyflavone | 71702.70 | 83744.18 | 31932.12 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole | 3696.70 | 5373.27 | 5038.88 | |
| 5,3^-Dihydroxy-6,7,4^-trimethoxyflavone | 23246.10 | 31375.91 | 17040.00 | |
| 5,7,3^,4^,5^-Pentamethoxyflavone | 19824.80 | 21101.18 | 15663.50 | |
| 5,7-Dimethoxy-3-hydroxyflavone | 9592.90 | 10151.36 | 5384.14 | |
| 5,8,11,14-Eicosatetraynoic acid | 46870.80 | 48953.09 | 30840.25 | |
| 5alpha-Androstane-3,17-dione | 15574.40 | 16090.00 | 13277.75 | |
| 5alpha-Pregnan-3alpha-ol-11,20-dione | 166238.90 | 136063.36 | 283651.62 | |
| 5-Aminoimidazole-4-carboxamide-1-betaD-ribofuranosyl 5^-mono... | 2834.60 | 2873.82 | 2795.25 | |
| 5-Aminoorotic acid | 4940.30 | 4930.73 | 8895.38 | |
| 5-Aminovaleric acid | 312600.50 | 285441.82 | 2157264.50 | |
| 5beta-Androsterone | 33753.30 | 35320.64 | 27116.00 | |
| 5beta-Pregnane-3alpha,20alpha-diol | 1184.60 | 597.00 | 829.50 | |
| 5-Methyl-5,6-Dihydrouracil | 3980.70 | 3271.73 | 3702.86 | |
| 5-Pregnen-3,20-dione | 9653.40 | 10983.55 | 9303.57 | |
| 5-Pregnen-3beta-ol-20-one | 327773.40 | 312206.45 | 141351.88 | |
| 5-trans-17-Phenyl trinor Prostaglandin F2alpha ethyl amide | 43688.10 | 38599.27 | 65378.12 | |
| 6,2^-Dimethoxy-3-hydroxyflavone | 16277.60 | 6997.55 | 19966.88 | |
| 6,4^-Dimethoxy-7-hydroxyisoflavone | 54765.60 | 51866.82 | 44970.25 | |
| 6,7,3^,4^-Tetramethoxyisoflavone | 1215772.50 | 1701355.00 | 1002905.12 | |
| 6,7-Dimethoxy-4-ethylcoumarin | 2412.30 | 5261.73 | 10091.75 | |
| 6alpha-Methylprednisolone | 15985.89 | 8127.40 | 14986.38 | |
| 6-Aminocaproic acid | 506423.20 | 499099.36 | 368272.62 | |
| 6-Azauridine | 36289.10 | 37572.36 | 47594.12 | |
| 6beta-Hydroxytestosterone | 55437.60 | 66105.00 | 52788.75 | |
| 6beta-Testosterone enanthate | 15087.40 | 14258.91 | 11511.25 | |
| 6-Ethoxy-3-(4-methoxyphenyl)-4-methylcoumarin | 8802.70 | 7792.82 | 42190.12 | |
| 6-Hydroxydopamine | 26798.40 | 24485.09 | 25278.88 | |
| 6-Hydroxymelatonin | 17853.00 | 19992.36 | 13305.75 | |
| 6-Ketoprostaglandin E1 | 108951.30 | 100532.18 | 81016.25 | |
| 6-Keto Testosterone Enanthate | 56436.80 | 62065.27 | 53378.25 | |
| 6-Methoxy-3-phenylcoumarin | 15457.00 | 16146.18 | 9832.25 | |
| 6^^-O-Acetylgenistin | 5607.89 | 6004.00 | 4211.38 | |
| 7,4^-Dihydroxyflavone | 17200.00 | 10080.27 | 29753.00 | |
| 7,8-Dihydro-L-Biopterin | 35293.50 | 34587.18 | 30724.00 | |
| 7,8-Dimethoxyflavone | 4314.40 | 5413.73 | 4760.25 | |
| 7-Allyloxy-4-methylcoumarin | 59170.30 | 48385.18 | 30159.62 | |
| 7-Diethylamino-3-(4-ethoxyphenyl)coumarin | 16227.30 | 12378.18 | 13753.38 | |
| 7-Ethoxy-3-(4-methoxyphenyl)-4-phenylcoumarin | 9009.70 | 9370.91 | 8641.38 | |
| (+/-)-7-Hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaenoic acid | 17244.44 | 19011.00 | 27742.88 | |
| 7-Hydroxycoumarinyl-gamma-linolenate | 83372.40 | 87522.00 | 46392.50 | |
| 7-Methylguanine | 3485.80 | 2826.45 | 5016.75 | |
| 7-Methylguanosine | 19176.10 | 20724.82 | 7007.38 | |
| (+/-)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid | 87768.50 | 63014.00 | 66016.00 | |
| 8-iso-15-Ketoprostaglandin F2alpha | 24333.00 | 25440.73 | 45822.00 | |
| 9-Oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid | 37741.78 | 32052.64 | 36054.43 | |
| 9-Oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acid | 80269.10 | 90091.91 | 61287.12 | |
| 9-Oxo-15S-hydroxy-5Z,10Z,13E,17Z-prostatetraenoic acid | 2546373.00 | 3487165.55 | 2493717.50 | |
| 9-Oxo-prosta-10,12Z,14E-trienoic acid | 199983.88 | 233802.00 | 211245.50 | |
| 9S,11R,15S-Trihydroxy-20a,20b-dihomo-5Z,13E-prostadienoic ac... | 4336.40 | 6556.27 | 15073.12 | |
| 9S,11R-Dihydroxy-15-oxo-13E-prostenoic acid | 45829.10 | 39827.91 | 34951.38 | |
| 9S,11R-Dihydroxy-15-oxo-5Z,13E-prostadienoic acid | 14971.70 | 20871.36 | 17398.00 | |
| 9S,11S,15S-Trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid | 70560.10 | 71654.82 | 70905.38 | |
| 9S,15S-Dihydroxy-11-oxothromboxa-5Z,13E,17Z-trienoic acid | 11630.40 | 7656.45 | 5832.88 | |
| Adenine | 72293.90 | 71431.00 | 22767.88 | |
| Adenine, N6-methyl | 7504.40 | 8098.09 | 10419.00 | |
| Adenosine | 378563.20 | 193473.18 | 99226.25 | |
| Adenosine 5^-diphosphoribose | 28788.50 | 5068.73 | 31874.00 | |
| Adenosine 5^-monophosphate | 136108.50 | 49862.27 | 22646.62 | |
| Adenosine, 5^-S-methyl-5^-thio- | 1811.90 | 2232.27 | 2533.12 | |
| Adenylyl(3^-5^)cytidine | 38015.50 | 37744.64 | 34539.25 | |
| Adrenosterone | 135905.60 | 77083.27 | 255607.25 | |
| Aflatoxin G2 | 53365.40 | 54100.36 | 46758.00 | |
| AICAR | 21206.70 | 32747.36 | 74486.25 | |
| Aldosterone | 85824.60 | 104109.55 | 66154.25 | |
| Amidopyrine, desmethyl | 3507.00 | 9150.90 | 10978.75 | |
| Androst-4-en-3-one, 17- (1-oxopropoxy)-, (17beta)- | 51722.40 | 55278.82 | 43086.50 | |
| Arachidonic acid ethyl ester | 26438.40 | 24644.36 | 24223.00 | |
| Arachidonic acid leelamide | 36428.70 | 44281.82 | 44915.12 | |
| Arachidonoyl-1-thioglycerol | 70045.50 | 61138.55 | 45677.50 | |
| Arachidonoyl amide | 59132.20 | 59759.60 | 21434.86 | |
| Arachidonoyl p-nitroaniline | 118007.00 | 131851.45 | 99941.25 | |
| Arachidonoylserotonin | 17132.40 | 13108.36 | 20618.75 | |
| Argininosuccinic acid | 12804.70 | 18720.33 | 17587.62 | |
| Azelaic acid | 1941.00 | 2628.30 | 2230.88 | |
| Batyl alcohol | 7200.80 | 7064.73 | 7721.29 | |
| Benzamidine | 5953.00 | 6915.36 | 7411.00 | |
| Benzenamine, N,N-dimethyl- | 17563.20 | 29354.73 | 23062.00 | |
| Benzenemethanol, alpha-methyl- | 32022.50 | 37621.27 | 28046.43 | |
| Benzoic acid, 4-(methylthio)- | 18026.60 | 20607.45 | 13458.25 | |
| beta-Aminoadipic acid, dibutyl ester | 10856.70 | 12342.09 | 10400.62 | |
| beta-Asp-Gly | 8972.50 | 6965.09 | 7073.50 | |
| beta-Cryptoxanthin | 18228.60 | 13550.91 | 19271.50 | |
| beta-Nicotinamide adenine dinucleotide | 45358.90 | 22037.09 | 10847.62 | |
| beta-Nicotinamide mononucleotide | 32620.20 | 27986.45 | 15517.00 | |
| Biotin | 10087.60 | 8169.45 | 5182.25 | |
| Bis(4-fluoro-3-nitrophenyl)sulfone | 77961.30 | 63591.45 | 52937.00 | |
| Cholest-4-en-26-oic acid, 3-oxo | 61236.80 | 67093.73 | 62469.29 | |
| Cholest-5-ene-3beta,22(S)-diol | 23377.70 | 29537.00 | 46399.25 | |
| Cholest-5-ene-3beta,4beta-diol | 39147.30 | 38499.36 | 41156.25 | |
| Cholesta-4,6-dien-3-one | 12962.20 | 16763.18 | 14311.75 | |
| Cholesterol | 1739.30 | 2222.45 | 2150.62 | |
| Cholic acid | 1749638.80 | 1551739.64 | 1883655.75 | |
| cis-10-Heptadecenoic acid | 13163.50 | 16598.64 | 15332.62 | |
| cis-11-Eicosenoic acid | 194716.30 | 142824.09 | 145587.75 | |
| cis-13-Docosenoic acid | 209984.40 | 235924.64 | 96970.00 | |
| cis-5,8,11-Eicosatrienoic acid | 136125.60 | 75208.27 | 54184.50 | |
| cis-7,10,13,16,19-Docosapentaenoic acid | 60240.30 | 49907.09 | 45966.75 | |
| cis-7-Hexadecenoic acid methyl ester | 18208.40 | 15860.64 | 9036.50 | |
| cis-8,11,14-Eicosatrienoic acid | 19046.70 | 17133.36 | 17240.12 | |
| cis-9-Hexadecenoic acid | 44873.40 | 47253.45 | 35927.25 | |
| Clasto-lactacystin beta-lactone | 51338.00 | 45319.36 | 15957.75 | |
| Conjugated linoleic acid (9E,11E) | 217864.60 | 161239.00 | 153763.25 | |
| Corticosterone | 248897.40 | 167566.00 | 253280.88 | |
| Corticosterone 21-acetate | 187493.60 | 204111.09 | 345205.62 | |
| Cortisone | 5209.70 | 5207.45 | 11566.62 | |
| Cortisone acetate | 7703.80 | 10133.36 | 14268.62 | |
| Creatine | 19329.00 | 31202.10 | 224517.25 | |
| Cyanidin cation | 18522.14 | 13088.00 | 16389.88 | |
| Cyclocytidine | 6560.20 | 6238.91 | 3378.88 | |
| Cyclohexasiloxane, dodecamethyl- | 12876.90 | 10983.00 | 19547.00 | |
| Cyclopaldic acid | 410217.40 | 551437.55 | 444203.75 | |
| Cyclotetrasiloxane, octamethyl- | 6200.90 | 6622.45 | 6115.88 | |
| Cyprodinil | 6109.20 | 6291.70 | 19152.38 | |
| Cytidine | 1702.80 | 1853.64 | 1463.00 | |
| Cytidine 5^-diphosphocholine | 2176.10 | 1844.00 | 2626.29 | |
| D-(+)-Arabitol | 23549.20 | 27666.55 | 17915.62 | |
| Decaethylene glycol | 143642.80 | 126451.18 | 117381.25 | |
| Delphinidin cation | 78253.10 | 78882.91 | 56355.00 | |
| DELTA12-Prostaglandin D2 | 105955.90 | 109092.18 | 86680.88 | |
| Deoxyaconitine | 5561.60 | 5847.09 | 2983.75 | |
| Deoxycholic acid | 953756.10 | 1162527.36 | 330405.88 | |
| D-erythro-C18-Sphingosine | 9814.30 | 7930.73 | 9422.00 | |
| D-Gluconic acid, delta-lactone | 3821.90 | 2565.18 | 4175.88 | |
| D-Gluconic acid, permethyl-, methyl ester | 5727.60 | 5321.09 | 5928.75 | |
| D-Glucosamine 1-phosphate | 16678.20 | 13835.00 | 24873.12 | |
| D-Glucosyl-beta1-1^-D-erythro-sphingosine | 8790.11 | 11183.38 | 18115.50 | |
| Dihydrotachysterol | 378986.80 | 336528.18 | 347141.38 | |
| Dilinolenin (9c,12c,15c) | 4512.90 | 5191.82 | 4053.62 | |
| Dipalmitolein (9c) | 92210.20 | 89432.18 | 73974.50 | |
| Di(propylene glycol) butyl ether | 1530.80 | 1537.82 | 1865.86 | |
| DL-Indole-3-lactic acid | 100359.90 | 98842.73 | 66048.62 | |
| DL-Mevalonic acid lactone | 7892.20 | 4677.91 | 4855.12 | |
| DL-Norepinephrine | 8185.90 | 7375.73 | 7656.17 | |
| DL-Norleucine methyl ester | 4345.50 | 4705.27 | 3941.00 | |
| DL-Octopamine | 7728.90 | 8248.36 | 5337.50 | |
| D-Mannitol | 5945.70 | 6404.00 | 5080.25 | |
| D-Mannitol 1-phosphate | 2709.20 | 5340.09 | 3933.88 | |
| D-myo-Inositol-2,3,5,6-tetraphosphate | 7231.90 | 7844.82 | 8905.12 | |
| Dopamine | 20581.30 | 4248.55 | 10242.75 | |
| Enterostatin human | 12612.40 | 12417.45 | 5607.00 | |
| (+/-)-Epinephrine | 508035.60 | 609673.45 | 415777.50 | |
| Epitestosterone | 22086.70 | 25817.00 | 28800.38 | |
| Ergocalciferol | 79036.50 | 64355.18 | 58529.00 | |
| Ergothioneine | 15280.70 | 9555.45 | 2981.25 | |
| Eriodictyol-7-O-glucoside | 17699.10 | 18413.18 | 23456.38 | |
| Erythritol bis(carbonate) | 2867.40 | 3047.09 | 7141.50 | |
| Estriol 16alpha-(beta-D-glucuronide) | 16781.40 | 17561.36 | 17012.00 | |
| gamma-Aminobutyric acid | 10006.40 | 10152.18 | 5344.12 | |
| gamma-Glu-Cys | 28866.80 | 26817.91 | 42049.75 | |
| gamma-Tocotrienol | 29171.90 | 25153.36 | 26307.29 | |
| Glutathione, oxidized | 12852.80 | 12666.09 | 10229.62 | |
| Glycan 3-Fucosyllactose | 16865.40 | 13705.82 | 21359.00 | |
| Glycan 6-Sialylgalactose | 2834.30 | 1936.82 | 5805.71 | |
| Glycan Chitobiose | 46101.50 | 40181.36 | 29978.00 | |
| Glycan Lacto-N-triaose | 11276.60 | 13791.82 | 22519.25 | |
| Glycan Le-X Trisaccharide | 7340.20 | 7572.00 | 4612.75 | |
| Glycan LNT | 3751.30 | 3869.09 | 5240.75 | |
| Glycan Man1 | 6864.60 | 7121.64 | 2812.57 | |
| Glycitein | 29018.50 | 23393.45 | 12644.50 | |
| Glycocholic acid | 12506.90 | 13234.55 | 20183.12 | |
| Glycodeoxycholic acid | 101330.20 | 114148.82 | 95866.25 | |
| Glycolic acid heptaethoxylate 4-tert-butylphenyl ether | 16090.60 | 12877.00 | 17886.00 | |
| Glycolic acid hexaethoxylate 4-tert-butylphenyl ether | 94504.30 | 107343.09 | 102076.62 | |
| Glycoursodeoxycholic acid | 21530.50 | 18685.18 | 21362.43 | |
| Guanine | 31803.30 | 29183.73 | 36684.62 | |
| Guanosine, 2^-deoxy- | 6640.40 | 7221.36 | 5243.38 | |
| Guanosine 5^-monophosphate | 15770.60 | 6711.18 | 9906.50 | |
| Heptanoylcarnitine | 6597.80 | 9621.27 | 5423.50 | |
| Herbacetin | 3890.90 | 3731.27 | 2036.38 | |
| Hexadecylacetylglycerol | 22488.60 | 24961.36 | 42228.38 | |
| Hexaethylene glycol | 964621.00 | 1077254.91 | 1043179.25 | |
| Hexanedioic acid, 2-amino- | 61640.90 | 53794.18 | 10334.50 | |
| Hyodeoxycholic acid | 171456.89 | 228435.82 | 67766.29 | |
| Hypoxanthine | 531928.00 | 532030.82 | 353061.88 | |
| Iminodiacetic acid | 2476.20 | 3414.09 | 3980.50 | |
| Inosine, 2^-deoxy- | 15706.60 | 15121.91 | 13449.38 | |
| Isovalerylcarnitine | 5975.60 | 6153.64 | 37085.50 | |
| Ketogluconic acid methyl ester | 7508.30 | 8870.64 | 8591.25 | |
| Kifunensine | 14397.90 | 21767.55 | 9126.88 | |
| Kynurenic acid | 11768.30 | 13263.30 | 10309.62 | |
| Lactacystin | 18131.40 | 34988.09 | 44862.75 | |
| L-(-)-Arabitol, permethyl- | 10785.40 | 11435.18 | 11546.88 | |
| Lauroyl L-carnitine | 320850.90 | 126092.27 | 96194.00 | |
| L-Citrulline | 1159844.70 | 1034579.64 | 69183.88 | |
| Leukotriene B4 | 19819.30 | 23683.45 | 19984.50 | |
| Leukotriene C4 | 5371.30 | 5018.27 | 4872.75 | |
| Leukotriene D4 methyl ester | 42691.40 | 33515.18 | 193021.38 | |
| Leukotriene E4 | 23991.80 | 24759.27 | 16210.00 | |
| L-gamma-Glutamyl-L-glutamic Acid | 78479.40 | 74219.45 | 37484.88 | |
| L-Glutamic acid | 1254721.00 | 1469251.36 | 539805.25 | |
| L-Glutamine | 203264.00 | 219409.00 | 119564.12 | |
| L-Histidinol | 23974.70 | 22918.36 | 70656.25 | |
| L-Homocystine | 32505.20 | 20033.09 | 12507.38 | |
| L-Homoserine | 106616.90 | 126644.73 | 44928.62 | |
| Linoleic acid ethyl ester | 528899.00 | 259281.64 | 162111.75 | |
| Linoleoyl ethanolamide | 109989.50 | 88010.82 | 145284.75 | |
| Lipoxin A5 | 176282.50 | 268356.36 | 191415.75 | |
| L-Isoleucine | 2792354.00 | 2808510.64 | 948975.75 | |
| Lithocholic acid | 333790.50 | 363522.45 | 86957.71 | |
| L-Methionine | 212030.00 | 221684.36 | 111081.00 | |
| L-N5-(1-Imino-3-pentenyl) ornithine | 16895.30 | 18381.27 | 21593.12 | |
| L-Phenylalanine, N-acetyl- | 24858.30 | 29059.36 | 19365.00 | |
| L-Proline | 128755.90 | 22973.45 | 24708.12 | |
| L-Saccharopine | 9529.60 | 10418.00 | 125391.88 | |
| L-Sorbose | 22306.80 | 23449.73 | 25965.00 | |
| L-Thyronine | 7235.20 | 6565.70 | 6146.62 | |
| L-Tryptophan | 80824.90 | 81101.45 | 52637.50 | |
| L-Tyrosine | 201366.70 | 210070.73 | 147304.00 | |
| Maltol | 6627.30 | 7494.36 | 3127.33 | |
| Maltopentaose | 9278.00 | 8137.64 | 11641.12 | |
| Maltotetraose | 22007.10 | 15679.18 | 50111.50 | |
| Medroxyprogesterone | 23155.20 | 16899.36 | 18227.12 | |
| Medroxyprogesterone 17-acetate | 377443.00 | 332304.73 | 309410.62 | |
| Melibiose | 12872.33 | 12698.64 | 21871.88 | |
| Mesoporphyrin IX | 18224.00 | 19798.73 | 21228.75 | |
| Mesterolone | 124208.00 | 144067.45 | 136588.50 | |
| Methionine sulfoxide | 90811.90 | 69620.00 | 81051.12 | |
| Methyl 12-hydroxystearate | 52714.70 | 39870.00 | 26883.12 | |
| Methyl 6,7-dimethoxycoumarin-4-acetate | 6652.00 | 8020.00 | 4849.86 | |
| Methyl hexadecanoate | 40918.56 | 41470.30 | 35183.12 | |
| Methylprednisolone succinate | 281071.00 | 202677.36 | 477913.88 | |
| Monoarachidin | 93676.10 | 90767.00 | 74966.88 | |
| Monopalmitolein (9c) | 282244.90 | 173909.91 | 277715.50 | |
| N-(1,1-Dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulf... | 4034.70 | 4198.27 | 17956.75 | |
| N-(1,3-Dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-pr... | 22110.90 | 25542.27 | 5891.75 | |
| N-(8Z,11Z,14Z-Eicosatrienoyl)ethanolamine | 26038.60 | 29330.45 | 23097.00 | |
| N-Acetylaspartylglutamic acid | 65438.10 | 72138.36 | 110431.62 | |
| N-Acetyl-D-glucosamine 6-phosphate | 13655.50 | 13613.00 | 13128.75 | |
| N-Acetyl-D-norleucine | 1447.40 | 733.91 | 1091.62 | |
| N-Acetylglucosaminylasparagine | 13626.80 | 13634.64 | 5116.00 | |
| N-Acetyl-L-tyrosine | 16915.70 | 12995.09 | 2618.88 | |
| (-)-N-Acetylneuraminic acid | 69071.00 | 121820.36 | 396962.12 | |
| N-Arachidonoyl-3-hydroxy-gamma-aminobutyric Acid | 11927.90 | 10976.27 | 11204.12 | |
| N-Arachidonoyl-gamma-aminobutyric acid | 88092.80 | 86564.73 | 82625.50 | |
| N-Arachidonoyltaurine | 53316.30 | 60070.09 | 115421.25 | |
| N-Butylenrofloxacin cation | 37416.10 | 35676.09 | 25495.88 | |
| N-Cyclohexanecarbonylpentadecylamine | 34744.50 | 57265.00 | 75540.00 | |
| N-Glycolylneuraminic acid | 9388.10 | 11100.27 | 13233.50 | |
| Nicotinic acid | 2600318.10 | 3557913.00 | 1732599.50 | |
| Nicotinic acid adenine dinucleotide | 1669.50 | 1052.27 | 1463.50 | |
| Nicotinic acid mononucleotide | 3961.60 | 3456.36 | 3349.62 | |
| N-Lauroyl-D-erythro-sphinganine | 10386.00 | 10923.09 | 31732.75 | |
| N-Methylaniline | 3669.30 | 23019.09 | 10402.50 | |
| N-Methyl-D-aspartic acid | 5906950.90 | 6731764.55 | 2361398.88 | |
| N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid | 59304.50 | 57604.09 | 17475.38 | |
| N,N-Dimethyl-L-valine | 578723.60 | 616913.64 | 10275.25 | |
| N-Octanoyl-L-homoserine lactone | 3508.10 | 3645.90 | 7271.14 | |
| Nonaethylene glycol | 101483.40 | 90638.18 | 81012.25 | |
| (-)-Norepinephrine | 13717.00 | 18424.55 | 13627.38 | |
| N-Stearoyltaurine | 36120.30 | 40343.00 | 33564.12 | |
| O-Arachidonoylethanolamine | 47345.80 | 42278.64 | 36227.38 | |
| O-Arachidonoylglycidol | 112781.60 | 122539.36 | 81856.00 | |
| Octanoylcarnitine | 17404.40 | 20670.18 | 10898.50 | |
| Oleanolic acid | 221150.60 | 306538.36 | 185537.38 | |
| Oleoyl L-carnitine | 33376.40 | 33730.36 | 34872.25 | |
| omega-3 Arachidonic acid | 90938.00 | 115404.73 | 102701.12 | |
| omega-3 Arachidonic acid ethyl ester | 30567.40 | 38387.18 | 34360.00 | |
| omega-3 Arachidonic acid methyl ester | 14222.70 | 20102.82 | 16099.25 | |
| O-Succinyl-L-homoserine | 4905.30 | 4892.64 | 6270.88 | |
| Palmitamide | 15878.10 | 14715.64 | 23168.25 | |
| Palmitoleoyl ethanolamide | 29288.70 | 27600.36 | 44495.12 | |
| Palmitoylcarnitine | 19832.30 | 22463.64 | 27921.88 | |
| Palmitoyl-L-carnitine cation | 60220.90 | 60552.55 | 48285.38 | |
| Pantethine | 18514.60 | 27087.27 | 16200.62 | |
| Pentacarboxylporphyrin I | 18805.70 | 16633.82 | 16183.12 | |
| Pentaethylene glycol | 7880.60 | 6394.00 | 12785.12 | |
| Pentapropylene glycol | 38658.50 | 40950.91 | 41221.38 | |
| Pentasiloxane, dodecamethyl- | 8285.20 | 10766.00 | 22415.12 | |
| Phosphocholine | 14184.00 | 12357.36 | 44019.88 | |
| Phospho(enol)pyruvic acid | 1641.10 | 2566.90 | 1617.88 | |
| Phytosphingosine | 25382.11 | 11463.62 | 33029.38 | |
| Pregna-4,16-diene-3,20-dione | 14842.80 | 12421.73 | 15263.38 | |
| Propanoic acid, 2-hydroxy-2-methyl- | 31260.40 | 35951.45 | 27363.14 | |
| Propanoic acid, 3-amino-3-(4-fluorophenyl)- | 2889.50 | 2600.36 | 3593.25 | |
| Pro-Phe | 100228.12 | 121127.50 | 38525.00 | |
| Pro-Ser-Lys | 25358.50 | 33168.64 | 20076.75 | |
| Prostaglandin A1-biotin | 3553.60 | 3325.55 | 3767.00 | |
| Prostaglandin A1 ethyl ester | 11554.40 | 10435.91 | 19270.25 | |
| Prostaglandin A1 methyl ester | 75294.70 | 111947.82 | 79614.00 | |
| Prostaglandin B1 | 12301.80 | 15739.00 | 13411.88 | |
| Prostaglandin B2 | 94630.70 | 94317.64 | 79046.75 | |
| Prostaglandin D1 | 132645.60 | 134859.00 | 106054.38 | |
| Prostaglandin D1 alcohol | 69295.40 | 74959.73 | 55084.25 | |
| Prostaglandin D2 1-glyceryl ester | 38776.20 | 36901.00 | 30622.25 | |
| Prostaglandin D2 ethanolamide | 27873.90 | 29142.09 | 26900.75 | |
| Prostaglandin D2 methyl ester | 3521.14 | 7088.22 | 6249.38 | |
| Prostaglandin E1 | 51946.70 | 48050.45 | 75889.75 | |
| Prostaglandin E1 alcohol | 84810.10 | 83140.64 | 67021.00 | |
| Prostaglandin E2 | 30474.00 | 30129.91 | 28528.38 | |
| Prostaglandin E2-1-glyceryl ester | 16460.60 | 20347.73 | 5606.62 | |
| Prostaglandin E2 isopropyl ester | 80030.20 | 48015.64 | 30537.50 | |
| Prostaglandin E2 methyl ester | 167301.60 | 76241.64 | 77073.88 | |
| Prostaglandin F2alpha 1,11-lactone | 45313.00 | 49123.18 | 43306.12 | |
| Prostaglandin F2alpha Alcohol | 23407.50 | 26215.64 | 26995.38 | |
| Prostaglandin F2alpha alcohol methyl ether | 1448830.50 | 1421659.36 | 1419554.62 | |
| Prostaglandin F2alpha diethylamide | 45134.90 | 39864.55 | 33609.88 | |
| Prostaglandin F2alpha dimethylamide | 32327.90 | 32823.27 | 27573.75 | |
| Prostaglandin F2alpha isopropyl ester | 24048.11 | 26816.20 | 26245.25 | |
| p-tert-Octylphenol decaglycol ether | 29598.10 | 28088.18 | 28804.50 | |
| p-tert-Octylphenol dodecaglycol ether | 19255.00 | 21880.73 | 32944.12 | |
| p-tert-Octylphenol heptaglycol ether | 122094.30 | 110804.27 | 112177.88 | |
| p-tert-Octylphenol hexaglycol ether | 180287.10 | 181365.73 | 188182.62 | |
| p-tert-Octylphenol nonaglycol ether | 47130.70 | 46215.45 | 45451.38 | |
| p-tert-Octylphenol octaglycol ether | 83654.10 | 82666.82 | 83265.38 | |
| p-tert-Octylphenol tetraglycol ether | 182356.30 | 180183.09 | 198207.25 | |
| p-tert-Octylphenol undecaglycol ether | 16955.80 | 24776.55 | 23661.00 | |
| PTH-tryptophan | 3387.89 | 3259.09 | 4903.62 | |
| Pyridoxal | 18804.50 | 18465.91 | 12074.75 | |
| Pyridoxamine 5-phosphate | 4015.20 | 3431.27 | 4455.29 | |
| Pyridoxine | 30428.60 | 23162.64 | 7419.88 | |
| PyroGlu-Ala | 12901.60 | 13610.73 | 7708.38 | |
| Retinal, 9-cis- | 33782.10 | 24833.00 | 15050.00 | |
| (-)-Riboflavin | 40776.60 | 62629.82 | 24888.12 | |
| S-1 Methanandamide | 3480.40 | 2232.09 | 3970.12 | |
| S-Lactoylglutathione | 4584.00 | 5200.09 | 10633.25 | |
| Stearidonic acid | 283801.90 | 196181.00 | 168677.12 | |
| Stearidonic acid ethyl ester | 69835.30 | 59723.27 | 35918.75 | |
| Sucrose | 236331.30 | 255607.09 | 293355.25 | |
| Taurocholic acid | 136514.60 | 124802.09 | 737985.38 | |
| Tauroursodeoxycholic acid | 103922.80 | 72286.82 | 55629.88 | |
| Testosterone | 16703.90 | 18449.91 | 15267.38 | |
| Tetraethylene glycol | 233448.10 | 266767.45 | 182337.25 | |
| Tetrahydrofolic acid | 11482.50 | 13219.36 | 13242.75 | |
| Tetrapropylene glycol | 18411.20 | 21177.55 | 18553.50 | |
| Tetrasiloxane, decamethyl- | 15355.00 | 13592.18 | 17867.25 | |
| Thiamine monophosphate | 11126.40 | 11719.36 | 16309.75 | |
| Thiamphenicol | 236430.80 | 224615.73 | 229804.25 | |
| Thiourea, 1-naphthalenyl- | 96928.50 | 82243.73 | 169305.88 | |
| Thymine | 1430.20 | 2432.27 | 6109.75 | |
| trans-2-Octenoic acid, ethyl ester | 6778.40 | 8174.00 | 2141.25 | |
| trans-4,5-Epoxy-2(E)-decenal | 6837.90 | 6758.91 | 7340.50 | |
| trans-8, trans-10-Dodecadien-1-ol | 15809.70 | 18659.36 | 15099.50 | |
| Tripropylene glycol | 5962.70 | 4248.10 | 4707.75 | |
| Trp(Dioxidation)-Lys | 176421.00 | 198572.27 | 214848.50 | |
| Trp(Dioxidation)-Pro | 2496.88 | 4052.18 | 6053.71 | |
| Tryptophan (15N2)(ISTD) | 19430.60 | 23800.73 | 15382.62 | |
| Undecaethylene glycol tridecyl ether | 8398.40 | 8525.64 | 10271.75 | |
| Unoprostone isopropyl ester | 25576.70 | 24961.18 | 26122.75 | |
| Uracil | 14342.70 | 17755.09 | 15523.50 | |
| Uridine, 2^-deoxy- | 272232.70 | 552304.36 | 3418387.00 | |
| Uridine, 5-methyl- | 10947.40 | 15589.82 | 22075.12 | |
| Urobilin | 397068.40 | 549220.64 | 91512.00 | |
| Xanthine | 108127.00 | 174238.00 | 64692.00 | |
| Xanthosine | 16351.70 | 20630.82 | 8787.25 |
Factors:
| F1 | Factors:Control |
| F2 | Factors:Smoke |
| F3 | Factors:Smoke+ Neo |
