Data for ST002823
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10R,17S-Dihydroxydocosa-4Z,7Z,11E,13E,15E,19Z-hexaenoic acid | 74163.30 | 107730.73 | 43649.38 | |
| 10(S),17(S)-DiHDoHE | 102558.70 | 159035.00 | 47172.62 | |
| 11,12-Dihydroxy-5Z,8Z,14Z-eicosatrienoic acid | 99964.10 | 177728.55 | 91887.00 | |
| 11(12)-EET ethanolamide | 41137.90 | 18581.73 | 14092.38 | |
| 11alpha-Hydroxytestosterone | 62063.60 | 61535.82 | 77999.38 | |
| 11-Deoxy-11-methyleneprostaglandin D2 | 111381.40 | 125902.18 | 76111.12 | |
| 11-Deoxy-16,16-dimethylprostaglandin E2 | 150920.90 | 174524.18 | 80125.62 | |
| (+/-)-11-Hydroxy-4Z,7Z,9E,13Z,16Z,19Z-docosahexaenoic acid | 166862.60 | 192197.55 | 151692.12 | |
| 11-Oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid | 90736.60 | 129881.45 | 70239.50 | |
| 12,13-DiHOME | 470180.80 | 472270.64 | 728916.62 | |
| 12(13)-Epoxy-9Z-octadecenoic acid | 1152799.60 | 877778.82 | 932555.25 | |
| 12-Hydroxydodecanoic acid | 29797.30 | 30666.36 | 19895.00 | |
| 12-Oxoleukotriene B4 | 112174.80 | 126849.00 | 74702.38 | |
| 12R-Hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid | 45389.50 | 73564.45 | 58855.50 | |
| 12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acid | 20333.30 | 23649.91 | 21975.50 | |
| 13,14-Dehydro-15-cyclohexyl Carbaprostacyclin | 151241.80 | 210795.64 | 143576.38 | |
| 13,14-Dihydro-16,16-difluoro Prostaglandin E1 | 182018.90 | 202559.36 | 102860.12 | |
| 13,14-Dihydro-16,16-difluoro Prostaglandin F2alpha | 104884.20 | 81374.00 | 34355.12 | |
| 13,14-Dihydroprostaglandin F1alpha | 68589.80 | 83934.45 | 69206.12 | |
| 13-HODE | 1099297.60 | 838629.45 | 883466.88 | |
| 13S-Hydroxy-9Z,11E,15Z-octadecatrienoic acid | 555557.60 | 365497.27 | 387320.88 | |
| 14,15-EE-(5Z)-E | 14743.40 | 14780.64 | 23673.12 | |
| 14,15-EE-(8Z)-E | 14991.60 | 15070.91 | 26004.43 | |
| 15-HEDE | 333127.30 | 393524.64 | 370396.12 | |
| 15-HETE | 7969.00 | 9451.73 | 37315.12 | |
| (+/-)-15-Hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid | 95201.90 | 134486.82 | 73130.38 | |
| 15-Keto-17-phenyl trinor prostaglandin F2alpha | 38807.30 | 57539.91 | 35629.38 | |
| 15-Ketofluprostenol | 43789.40 | 46881.00 | 34146.75 | |
| 15(S)-15-Methylprostaglandin F2alpha isopropyl ester | 71990.90 | 87930.09 | 67854.50 | |
| 15(S)-HpETE | 121726.70 | 188942.55 | 109050.25 | |
| 15S-Hydroxy-8Z,11Z,13E-eicosatrienoic acid | 80161.80 | 143740.55 | 77386.00 | |
| 1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-sn-glycero-3-phospho-(1^-... | 14049.38 | 15744.10 | 14710.38 | |
| 16-Phenyl tetranor prostaglandin E1 | 71279.80 | 95228.82 | 73261.50 | |
| 17alpha-Ethynylestradiol | 14769.00 | 12526.20 | 8805.50 | |
| (+/-)-17-Hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid | 161303.90 | 189283.45 | 145594.75 | |
| 17-Phenoxy trinor prostaglandin F2alpha ethyl amide | 16707.10 | 22122.27 | 15769.43 | |
| 17-Phenyl trinor-13,14-dihydroprostaglandin A2 | 10558.30 | 14638.09 | 13823.12 | |
| 17-Trifluoromethylphenyl trinor prostaglandin F2alpha | 45901.40 | 47415.27 | 36227.00 | |
| 17-Trifluoromethylphenyl trinor prostaglandin F2alpha isopro... | 217678.10 | 153011.73 | 81624.12 | |
| 19(20)-EpDPE | 163597.00 | 188887.09 | 154740.12 | |
| 1-Hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) | 323671.70 | 179182.45 | 308717.25 | |
| 1H-Indole-3-carboxylic acid | 329386.40 | 301592.00 | 255450.50 | |
| 1-Octadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol) | 22725.70 | 27088.18 | 20100.62 | |
| 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine | 14727.33 | 15363.56 | 24111.38 | |
| 20-Carboxyarachidonic acid | 95033.40 | 110884.91 | 64275.12 | |
| 2-(1-Naphthyl)acetic acid | 267275.90 | 309773.91 | 288027.25 | |
| 2,2-Dimethylsuccinic acid | 32555.80 | 130188.18 | 5901.71 | |
| 2,3-Dinor 11beta-prostaglandin F2alpha | 19154.90 | 22466.09 | 18672.25 | |
| 2^,4^-Dihydroxy-4-methoxychalcone | 248576.50 | 240588.73 | 212675.62 | |
| 2^,4^-Dihydroxychalcone | 12373.70 | 14334.27 | 25178.00 | |
| 24S-Hydroxycholesterol | 53656.70 | 66290.00 | 55507.88 | |
| 2^,5^-Dihydroxychalcone | 114063.90 | 84431.36 | 197207.12 | |
| 2-Acetyl-5-(tetrahydroxybutyl)imidazole | 41486.60 | 49529.09 | 36725.00 | |
| 2-Butanone, (2,4-dinitrophenyl)hydrazone | 9301.40 | 8810.91 | 6876.50 | |
| 2-Butenedioic acid, 2-methyl-, (E)- | 12882.60 | 9226.64 | 27962.50 | |
| (2E,4E)-Hexa-2,4-dienoic acid | 151562.50 | 297483.36 | 186602.12 | |
| 2-Ethyl-2-hydroxybutyric acid | 59347.22 | 28939.18 | 33970.38 | |
| 2-Keto-3-deoxyoctonic acid | 34184.90 | 37952.45 | 57364.62 | |
| 2-Ketobutyric acid | 15036.80 | 33001.18 | 16526.88 | |
| 2-Keto-D-gluconic acid | 36220.50 | 37301.45 | 121556.38 | |
| 2-Methoxyestrone | 8928.20 | 8838.82 | 11664.75 | |
| 2-Methylglutaric acid | 66028.70 | 39515.20 | 42172.12 | |
| 2-(N-Morpholino)ethanesulfonic acid | 851845.00 | 964661.09 | 181404.62 | |
| 2-Oxopentanedioic acid | 31570.80 | 127220.27 | 5823.29 | |
| 2-Propyl-2-pentenoic acid | 75542.00 | 97017.27 | 101630.00 | |
| 3-(2-Hydroxyethyl)indole | 10083.00 | 13154.64 | 5127.50 | |
| 3,4^-Dimethoxy-2-hydroxychalcone | 49389.80 | 45499.00 | 46096.38 | |
| 3^,4^-Dimethoxy-2^-hydroxychalcone | 47772.50 | 44376.09 | 45010.50 | |
| 3,4^-Dimethoxy-2^-hydroxychalcone | 28633.90 | 33367.45 | 31530.75 | |
| 3,4^-Dimethoxy-5,7,3^-trihydroxyflavone | 43614.00 | 68101.82 | 106554.38 | |
| 3,5,7,3^,4^-Pentahydroxyflavanone | 9176.40 | 8034.82 | 20901.00 | |
| 3,6^-Dimethoxy-2^-hydroxychalcone | 68284.30 | 85238.36 | 55496.88 | |
| 3,7-Dihydroxy-12-oxocholanoic acid | 634241.80 | 659734.18 | 2859164.50 | |
| 3-Bromo-5-phenylsalicylic Acid | 19092.20 | 15705.45 | 33418.12 | |
| 3-Chloro-4-hydroxy-5-methoxybenzoic acid | 31653.70 | 36243.18 | 19239.38 | |
| 3-Dehydroquinic acid | 42617.10 | 40269.70 | 31326.00 | |
| 3-Hexyne-2,5-diol, 2,5-dimethyl- | 79526.40 | 102341.09 | 108140.62 | |
| 3-Hydroxy-4^-methoxyflavone | 30361.70 | 31600.82 | 29389.00 | |
| 3-Hydroxy-7,3^,4^,5^-tetramethoxyflavone | 48113.90 | 55669.91 | 37943.17 | |
| 3-Hydroxy-7,8,2^-trimethoxyflavone | 352052.60 | 467682.27 | 610674.12 | |
| 3-Hydroxydodecanoic acid | 18763.40 | 32037.18 | 32068.62 | |
| 3-Hydroxykynurenine | 702563.40 | 510120.70 | 5690146.12 | |
| 3-Methyl-4-pentenoic acid | 210466.70 | 434324.91 | 340813.00 | |
| 3-Oxo-1,8-octanedicarboxylic acid | 12912.80 | 15981.00 | 13688.88 | |
| 3-Oxocholic acid | 637618.80 | 663072.00 | 2869807.50 | |
| 3-Thiatetradecanoic Acid | 4333.60 | 4462.00 | 3241.57 | |
| 4^,5-Dihydroxy-7-methoxyflavanone | 37081.40 | 40171.27 | 57282.38 | |
| 4,6-Dihydroxypyrimidine | 150493.90 | 294272.09 | 184772.12 | |
| 4-Androsten-3alpha-ol-17-one | 614658.30 | 728766.18 | 473689.00 | |
| 4-Methylumbelliferyl beta-D-glucuronide | 11235.20 | 9924.36 | 19984.38 | |
| 4-Morpholinopropanesulfonic acid | 56900.70 | 65802.64 | 4500.12 | |
| 4-Phosphonobutyric acid | 1650.90 | 2603.73 | 2452.00 | |
| 5,5-Dimethyl-1,3-dioxane-2-ethanol | 8964.10 | 6829.09 | 15028.62 | |
| 5,6-Dehydroarachidonic acid | 211799.50 | 314764.55 | 273458.50 | |
| (+/-)-5,6-Dihydroxy-8Z,11Z,14Z-eicosatrienoic acid | 3524.00 | 2919.00 | 10796.88 | |
| 5(6)-EpETE methyl ester | 77477.80 | 63820.18 | 38497.38 | |
| 5,8,11-Eicosatriynoic acid | 75056.40 | 72869.09 | 44135.50 | |
| 5-Aminolevulinic acid | 368758.00 | 358933.91 | 149231.88 | |
| 5-Androsten-3beta-ol-17-one | 593613.90 | 699945.64 | 452025.38 | |
| 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid | 91530.90 | 99945.55 | 82213.12 | |
| 5S,12R,20-Trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid | 20774.25 | 22808.27 | 21725.00 | |
| 5S,12R-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acid | 1608.80 | 2293.73 | 2651.12 | |
| 5S,15S-Dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid | 26265.50 | 29724.18 | 22462.00 | |
| 5S-Hydroxy-6E,8Z,11Z-eicosatrienoic acid | 21113.20 | 28362.90 | 51519.88 | |
| 5-Sulfosalicylic acid | 97261.60 | 61175.00 | 26506.12 | |
| 5-trans-Prostaglandin F2alpha | 72136.00 | 93447.00 | 65578.75 | |
| 6alpha-Prostaglandin I1 | 12310.00 | 10430.91 | 13597.00 | |
| 6-Ketoprostaglandin F1alpha | 10807.30 | 12626.36 | 55724.67 | |
| 7,8,3^,4^-Tetrahydroxyflavone | 5077.22 | 8863.09 | 172893.00 | |
| 7,8-Dihydroneopterin | 17418.10 | 19714.45 | 19821.62 | |
| 7alpha,27-Dihydroxycholesterol | 93196.90 | 110067.27 | 87213.62 | |
| 7-Chloro-3-methylquinoline-8-carboxylic acid | 40887.80 | 40134.73 | 44972.62 | |
| 7-Hydroxyflavanone | 13053.20 | 14843.73 | 25822.50 | |
| 8,11-Eicosadiynoic acid | 1242215.50 | 1729449.27 | 2446184.50 | |
| 8,12-iso-iPF2alpha-VI 1,5- lactone | 44776.90 | 60452.55 | 31198.62 | |
| 8-iso-Prostaglandin A2 | 110186.40 | 127533.64 | 77283.38 | |
| 8S-Hydroxy-9E,11Z,14Z-eicosatrienoic acid | 25031.00 | 25628.82 | 39196.00 | |
| 9,10-Dihydroxy-12Z-octadecenoic acid | 464329.10 | 470608.36 | 729596.00 | |
| 9(10)-EpOME | 32450.50 | 29976.36 | 25231.62 | |
| 9-Deoxy-9-methylene-16,16-dimethyl Prostaglandin E2 | 370367.40 | 419341.18 | 324003.25 | |
| 9-Deoxy-9-methylene Prostaglandin E2 | 71402.00 | 86751.64 | 62359.62 | |
| 9-Hydroxy-10E,12Z-octadecadienoic acid | 1125779.00 | 859924.09 | 912586.25 | |
| 9-Oxo-11R,15S,20-trihydroxy-5Z,13E-prostadienoic acid | 240727.30 | 284185.27 | 192077.62 | |
| 9-Oxo-15S-hydroxy-5Z,13E-prostadienoic acid | 123184.10 | 187532.09 | 110398.75 | |
| 9-Oxo-15S-hydroxy-5Z,8(12),13E,17Z-prostatetraenoic acid | 37397.60 | 39997.00 | 33270.00 | |
| 9(S)-HpOTrE | 497479.70 | 303425.73 | 207083.38 | |
| 9Z,11E,13E-Octadecatrienoic acid methyl ester | 29137.44 | 28105.55 | 50717.38 | |
| Ala-Gly | 30307.60 | 119349.73 | 5626.43 | |
| Ala-Leu | 33358.70 | 40002.09 | 18850.25 | |
| Ala-Pro | 255348.10 | 300748.27 | 276624.38 | |
| Ala-Thr | 11891.50 | 12734.36 | 9565.17 | |
| alpha-D-Galactosamine 1-phosphate | 592347.80 | 671078.18 | 823240.25 | |
| Aminomalonic acid | 35375.60 | 35383.09 | 21681.38 | |
| Ascorbic acid 6-palmitate | 1698758.90 | 1374632.27 | 2365649.75 | |
| Benzenepropanoic acid, 3,4-dihydroxy- | 84275.70 | 92305.91 | 2663039.88 | |
| Benzenepropanoic acid, 4-hydroxy-alpha-oxo- | 14538.10 | 25795.36 | 1212882.50 | |
| Benzenesulfonic acid, 4-undecyl- | 32437163.30 | 38240171.64 | 37284627.88 | |
| Benzenesulfonic acid, dimethyl- | 30095.80 | 34024.73 | 17605.88 | |
| Benzoic acid, 3-amino-2,5-dichloro- | 17336.22 | 22914.70 | 36236.50 | |
| beta-Ketoadipic acid | 354060.60 | 320859.00 | 275456.88 | |
| Bicyclo-prostaglandin E1 | 34445.90 | 43046.36 | 34854.25 | |
| Carbaprostacyclin | 72791.89 | 88205.55 | 63425.25 | |
| Carbocyclic thromboxane A2 | 42793.50 | 51991.27 | 20889.57 | |
| Chenodeoxycholic acid | 32713.20 | 39041.00 | 17374.50 | |
| cis-13,16-Docosadienoic acid | 48078.40 | 77012.18 | 59587.88 | |
| cis-4,10,13,16-Docosatetraenoic acid | 33265.60 | 43565.00 | 22248.88 | |
| cis-4,7,10,13,16,19-Docosahexaenoic acid | 350059.70 | 465249.55 | 607077.88 | |
| cis-5,8,11,14-Eicosatetraenoic acid | 3248.70 | 4477.45 | 5200.12 | |
| Cyclic adenosine diphosphate ribose | 8955.80 | 3726.18 | 3960.75 | |
| Cytidine, 5-methyl- | 21513.30 | 13989.55 | 21347.00 | |
| D-Amygdalin | 5886.20 | 7960.36 | 7466.50 | |
| Dehydrocholic acid | 107559.40 | 119773.00 | 86664.88 | |
| DELTA17-6-Ketoprostaglandin F1alpha | 47376.30 | 60084.73 | 44882.00 | |
| D-Gluconic acid | 50588.50 | 23960.27 | 142893.62 | |
| D-Glucosamine | 14201.89 | 11092.78 | 152080.71 | |
| D-Glucosamine, 6-sulfate | 587913.80 | 670795.64 | 821586.12 | |
| D-Glucuronic acid | 36045.70 | 36613.36 | 119512.62 | |
| Dinitramine | 14272.50 | 12922.55 | 54550.62 | |
| DL-beta-Hydroxypalmitic acid | 616947.40 | 726921.36 | 472471.50 | |
| dl-Isocitric acid lactone | 5598.60 | 6081.91 | 2492.75 | |
| DL-Malic acid | 1077923.20 | 414551.36 | 416630.88 | |
| DL-Ornithine | 13861.20 | 10814.09 | 12410.50 | |
| DL-Phenylalanine | 164270.60 | 180121.64 | 158314.12 | |
| D-Lyxose | 370300.60 | 366013.45 | 585244.88 | |
| Docosahexaenoyl serotonin | 536042.70 | 711575.91 | 134521.00 | |
| Docosatetraenoyl ethanolamide | 11808.80 | 12344.73 | 8153.00 | |
| Dodecanedioic acid | 41242.30 | 49361.73 | 36789.62 | |
| Dodecylbenzenesulfonic acid | 53386.10 | 55255.09 | 50541.88 | |
| D-Ornithine | 13932.50 | 11296.82 | 12303.88 | |
| D-Psicose | 912568.10 | 876102.27 | 1350234.88 | |
| D-Quinovose | 12382.40 | 12272.82 | 22811.38 | |
| D-(+)-Raffinose | 128931.80 | 144950.55 | 211233.00 | |
| D-(-)-Ribose | 381491.80 | 380040.55 | 603374.38 | |
| D-Ribose 5-phosphate | 7283.40 | 11739.82 | 4587.00 | |
| D-Sorbitol | 18463.00 | 19991.55 | 54653.00 | |
| Eicosapentaenoyl ethanolamide | 164680.90 | 190187.27 | 155387.25 | |
| Elaidic acid | 45993.60 | 35399.64 | 38398.38 | |
| ent-Corey PG-Lactone diol | 30334.30 | 31640.27 | 29396.00 | |
| Epoxytricarballylic acid | 12463.70 | 13157.82 | 9739.86 | |
| Estriol | 1929.33 | 1827.00 | 5015.88 | |
| Ethisterone | 1116823.80 | 848532.45 | 891291.00 | |
| Ethyl 7-hydroxycoumarin-4-carboxylate | 49817.70 | 58465.27 | 48718.62 | |
| Ethylene glycol dodecyl ether sulfate | 435189.50 | 512915.36 | 476067.25 | |
| Ethyl hydrogen malonate | 60341.89 | 26767.09 | 35011.25 | |
| Flavine mononucleotide | 29754.30 | 36394.27 | 41970.88 | |
| Galactonic acid | 48489.50 | 22894.18 | 140139.75 | |
| Galacturonic acid | 36025.10 | 36409.82 | 119112.12 | |
| Glutaric acid | 26581.44 | 22239.20 | 31812.38 | |
| Glycan 3alpha-Galactobiose | 169906.20 | 165713.27 | 247711.25 | |
| Glycan 3^-Galactosyllactose | 6035.60 | 6434.09 | 18267.88 | |
| Glycan 6^-Sialyllactose | 5239.60 | 6504.55 | 7383.38 | |
| Glycan Sialylated tetraose type 1 | 2247.10 | 2917.18 | 3819.12 | |
| Glyceric acid | 70255.50 | 66918.09 | 65404.00 | |
| Glycyl-L-4-Hydroxyproline | 39458.90 | 42371.82 | 25570.12 | |
| Glycyl-L-norleucine | 32315.20 | 33253.36 | 16383.12 | |
| Gly-Gly | 29660.11 | 20955.30 | 32851.88 | |
| Guanosine | 60172.10 | 66370.09 | 89766.88 | |
| Heptadecasphing-4-enine | 8425.20 | 8673.36 | 10612.12 | |
| Hexadecanedioic acid | 33478.60 | 42837.36 | 25383.38 | |
| Hexestrol | 27014.89 | 28968.22 | 31133.83 | |
| His-Thr | 76386.90 | 103314.91 | 49216.25 | |
| His-Thr-Lys | 34382.00 | 31649.00 | 36855.62 | |
| Homobutein | 17944.20 | 27084.55 | 23780.12 | |
| Homoeriodictyol | 44424.80 | 49234.27 | 80797.88 | |
| Hydroxyflutamide | 20714.30 | 21529.00 | 14735.83 | |
| Inosine | 306437.20 | 544308.00 | 405831.50 | |
| Isodeoxycholic acid | 2922853.10 | 3864019.36 | 606058.29 | |
| Isosakuranetin | 15947.70 | 25387.36 | 22598.88 | |
| Kavain, DL- | 16483.00 | 22454.00 | 20456.12 | |
| Lactose | 394510.10 | 434990.64 | 471938.62 | |
| L-Alanyl-L-norleucine | 29856.75 | 28436.90 | 13182.38 | |
| L-Arginine | 51403.50 | 38685.36 | 113381.12 | |
| L-Aspartic acid | 535233.90 | 103871.55 | 100608.75 | |
| Leukotriene B4 dimethylamide | 337316.78 | 476357.20 | 494461.43 | |
| Leukotriene B4 ethanolamide | 55226.30 | 84054.64 | 54399.62 | |
| Leu-Leu | 72320.11 | 72501.64 | 37553.14 | |
| L-Fucitol | 378910.70 | 376763.64 | 598679.62 | |
| L-Glutathione, reduced | 6363.60 | 6609.09 | 7521.38 | |
| L-Histidine | 32129.40 | 29500.55 | 18034.75 | |
| L-Leucine | 402218.90 | 383720.64 | 159352.12 | |
| L-Lysine | 96143.10 | 101921.82 | 43880.38 | |
| L-Methionine, N-acetyl- | 391886.60 | 239948.27 | 1160141.12 | |
| L-Pipecolic acid | 152654.90 | 300029.45 | 188433.38 | |
| L-Serine | 9017.60 | 8172.00 | 7247.00 | |
| L-Thiocitrulline | 181059.60 | 84912.36 | 37966.88 | |
| L-Threonine | 34595.40 | 34897.09 | 22013.75 | |
| Maleic acid | 146179.70 | 52206.55 | 53430.12 | |
| Mono-2-ethylhexyl phthalate | 120881.40 | 135438.45 | 96449.75 | |
| (N-(-2-Acetamido))-2-aminoethanesulfonic acid | 70312.40 | 70618.91 | 60552.25 | |
| N-(2-Acetamido)iminodiacetic acid | 40283.50 | 39322.50 | 30105.00 | |
| N-Acetyl-D-galactosaminitol | 20408.60 | 23849.00 | 17368.00 | |
| N-Acetyl-L-aspartic acid | 195312.60 | 91636.00 | 39854.75 | |
| N-Acetyl-L-glutamic acid | 120124.30 | 123465.73 | 48873.12 | |
| N-Acetylneuraminic Acid, 2,3-Dehydro-2-deoxy- | 89164.20 | 115075.00 | 27350.38 | |
| Nalpha-Acetyl-L-lysine | 8026.60 | 9030.64 | 11377.50 | |
| N-alpha-Acetyl-L-ornithine | 53815.70 | 40544.82 | 118269.75 | |
| N-Carboxyethyl-gamma-aminobutyric acid | 25392.56 | 27749.22 | 33243.88 | |
| NG,NG-Dimethyl-L-arginine | 2467.60 | 2073.27 | 8793.25 | |
| N-Nonanoyl-L-homoserine lactone | 4783.30 | 4002.82 | 74112.38 | |
| N-Oleoyl-N-methyltaurine | 32813.50 | 43331.45 | 63838.38 | |
| N-Palmitoyltaurine | 46700.40 | 34055.00 | 22276.38 | |
| Palatinose | 405864.50 | 444834.36 | 479688.62 | |
| p-Bromophenylacetic acid | 87073.60 | 113004.27 | 103910.50 | |
| Pentadecanoic acid | 19061.10 | 25164.09 | 16695.50 | |
| p-Hydroxyphenyllactic acid | 100381.50 | 100948.27 | 2827031.12 | |
| Pinolenic acid | 6512918.40 | 4839114.73 | 5980976.38 | |
| Prostaglandin A2 methyl ester | 25610.00 | 32317.91 | 20356.38 | |
| Prostaglandin F1alpha Alcohol | 179668.40 | 159403.91 | 239281.62 | |
| Prostaglandin F2alpha ethylamide | 4547.60 | 5213.73 | 20956.38 | |
| Prostaglandin H2 | 418728.90 | 506443.45 | 447005.50 | |
| p-Toluenesulfonic acid | 107375.00 | 104461.73 | 80522.12 | |
| Succinic acid | 456393.60 | 516747.55 | 194005.38 | |
| Synephrine | 8003.44 | 7100.09 | 3429.43 | |
| Taprostene free acid | 196550.10 | 266742.45 | 141542.12 | |
| Taurine | 702780.10 | 300077.55 | 373284.12 | |
| Tetradecylbenzenesulfonic acid | 87408.90 | 90292.91 | 96638.75 | |
| Thromboxane B2 | 82051.70 | 100038.09 | 75646.50 | |
| Thr-Pro | 20664.00 | 22426.91 | 21183.25 | |
| Thymidine | 64770.50 | 76373.73 | 72363.50 | |
| trans-4-Hydroxy-L-proline | 55032.20 | 44328.73 | 47539.50 | |
| trans-Androsterone | 291466.90 | 340950.45 | 68773.38 | |
| trans-EKODE-(E)-Ib | 510304.10 | 312222.64 | 208760.25 | |
| trans-Glutaconic acid | 62187.50 | 70028.64 | 42228.88 | |
| Trp-Ala | 8596.80 | 11317.91 | 5917.62 | |
| Undecanedioic acid | 1292455.90 | 1465531.64 | 1424975.25 | |
| Uridine | 169177.20 | 209798.82 | 179724.12 | |
| Ursodeoxycholic acid | 3991.40 | 3554.50 | 11765.75 | |
| Val-Leu | 112783.50 | 117326.82 | 27420.38 | |
| Zeatin(ISTD) | 21834.00 | 21134.27 | 20579.88 |
Factors:
| F1 | Factors:Control |
| F2 | Factors:Smoke |
| F3 | Factors:Smoke+ Neo |
