Data for ST003307
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one | 214875.00 | 199225.00 | 150433.33 | 189000.00 | |
| 11H-14,15-EETA | 313175.00 | 850450.00 | 192950.00 | 557666.67 | |
| 11-Hydroxyandrosterone | 1022000.00 | 1628750.00 | 659583.33 | 1175000.00 | |
| 11(R)-HEDE | 49405.00 | 41646.25 | 69996.67 | 49970.00 | |
| 12,13-DHOME | 158400.00 | 126962.50 | 121416.67 | 142066.67 | |
| 1,2-Anhydridoniveusin | 652800.00 | 379300.00 | 747600.00 | 515233.33 | |
| 12-Hydroxydodecanoic acid | 1076250.00 | 805537.50 | 740516.67 | 852300.00 | |
| 12-Hydroxyjasmonic acid glucoside | 40462.50 | 50693.75 | 195433.33 | 87606.67 | |
| 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid | 26037.50 | 22693.75 | 17335.00 | 22646.67 | |
| 13(S)-HODE | 2126250.00 | 2220125.00 | 3075666.67 | 2354333.33 | |
| 1,4-Cyclohexanedicarboxylic acid | 141725.00 | 145525.00 | 140283.33 | 144933.33 | |
| 1,4-Pentanediamine, N4-(5-(hexyloxy)-6-methoxy-4-methyl-8-qu... | 108632.50 | 139912.50 | 124116.67 | 137666.67 | |
| 15-HETE | 353950.00 | 340462.50 | 307483.33 | 325000.00 | |
| 1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-... | 2743000.00 | 2160500.00 | 2480166.67 | 196266.67 | |
| (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene... | 556625.00 | 731137.50 | 271383.33 | 580900.00 | |
| 18-Dehydroursolic acid 3-arabinoside | 625475.00 | 446912.50 | 43201.67 | 385133.33 | |
| 18-HEPE | 1535750.00 | 1610000.00 | 990716.67 | 1389333.33 | |
| 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid | 304400.00 | 302287.50 | 176700.00 | 266800.00 | |
| 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid | 3820000.00 | 4837875.00 | 2252833.33 | 3802000.00 | |
| 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)- | 129575.00 | 88826.25 | 25056.67 | 90623.33 | |
| 19-Oxotestosterone | 860775.00 | 939125.00 | 101856.67 | 675200.00 | |
| 1-Hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid | 290525.00 | 258850.00 | 273683.33 | 256700.00 | |
| 1-Kestose | 353300.00 | 430025.00 | 555933.33 | 424166.67 | |
| 1-Methyladenosine | 137200.00 | 146112.50 | 127700.00 | 138933.33 | |
| (1R,2S,3S,4R)-p-Menthane-2,3-diol | 225850.00 | 157212.50 | 45960.00 | 141533.33 | |
| 20-Carboxyleukotriene B4 | 1187750.00 | 1634500.00 | 424766.67 | 1176000.00 | |
| 20-Cooh ltb4 | 541800.00 | 593037.50 | 459600.00 | 538766.67 | |
| 2,3-dinor Prostaglandin E1 | 888000.00 | 839287.50 | 870016.67 | 927833.33 | |
| 2^^,4^^-Bis-O-(4-hydroxycinnamoyl)astragalin | 228275.00 | 256737.50 | 30733.33 | 164800.00 | |
| 24-Oxo-1alpha,23,25-trihydroxyvitamin D3 | 188000.00 | 170237.50 | 43996.67 | 151000.00 | |
| 2,6-diamino-4-hydroxy-5-formamidopyrimidine | 5666.50 | 8394.75 | 18996.67 | 9343.00 | |
| 2,6-Dichloro-4-nitrophenol | 393875.00 | 392650.00 | 425716.67 | 394300.00 | |
| 27-Hydroxyisomangiferolic acid | 444150.00 | 306462.50 | 419000.00 | 339700.00 | |
| 28-Norbrassinolide | 197775.00 | 216275.00 | 153516.67 | 192000.00 | |
| 2-Aminooxybenzoic acid | 26415.00 | 22625.00 | 15835.00 | 19740.00 | |
| 2beta-Hydroxytestosterone | 1356250.00 | 2440625.00 | 684100.00 | 1650333.33 | |
| 2-Cyclohexen-1-one | 12645.00 | 34760.00 | 126150.00 | 55170.00 | |
| 2-Dodecoxyethyl Hydrogen Sulfate | 149375.00 | 121687.50 | 169616.67 | 160566.67 | |
| (2^E,4^Z,7^Z,8E)-Colnelenic acid | 1814.45 | 7257.50 | 49498.33 | 15503.33 | |
| 2-Hydroxy-3-Methylbutyric Acid | 97467.50 | 109726.25 | 58933.33 | 99626.67 | |
| 2-Hydroxycineol | 69415.00 | 77546.25 | 50958.33 | 67026.67 | |
| 2-Hydroxypentanoic Acid | 40142.50 | 43020.00 | 34138.33 | 39896.67 | |
| 2-Methoxy-5-nitrophenol | 157375.00 | 161575.00 | 179033.33 | 164766.67 | |
| 2-Methoxyestrone | 366875.00 | 396762.50 | 80090.00 | 312500.00 | |
| 2-phospho-D-glycerate | 3098.00 | 1913.42 | 3426.17 | 1023.70 | |
| 2-(Trifluoromethoxy)anisole | 562275.00 | 597600.00 | 367533.33 | 569866.67 | |
| 3,4-Dimethylbenzenesulfonic acid | 416925.00 | 152760.00 | 119366.67 | 216366.67 | |
| 3,4-Methylenedioxybenzaldehyde | 82367.50 | 52743.75 | 18543.33 | 53186.67 | |
| 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al | 40450.00 | 243911.25 | 18405.00 | 138000.00 | |
| (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-... | 252425.00 | 437450.00 | 1402166.67 | 653833.33 | |
| 3beta-Hydroxy-5,7-androstadien-17-one | 42562.50 | 87062.50 | 11.37 | 42446.67 | |
| 3-Hexen-1-ol | 21602.50 | 34768.75 | 79698.33 | 41023.33 | |
| 3-Hexenal | 62810.00 | 69121.25 | 91306.67 | 73756.67 | |
| 3-Hydroxybenzoic Acid | 65202.50 | 67618.75 | 51226.67 | 65406.67 | |
| 3-hydroxypentadecanoic acid | 362150.00 | 578100.00 | 440233.33 | 494633.33 | |
| 3-Hydroxysintaxanthin | 58585.00 | 517903.75 | 99803.33 | 375733.33 | |
| 3-Indolebutyric acid | - | 3987.00 | 344966.67 | 53960.00 | |
| 3-Methyl-2-Oxovaleric Acid | 815600.00 | 1064975.00 | 1093500.00 | 1026333.33 | |
| (3S)-3-hydroxycyclocitral | 540450.00 | 568500.00 | 678416.67 | 526366.67 | |
| (3S,6E)-Nerolidol | 233800.00 | 176525.00 | 229233.33 | 203166.67 | |
| 3^-thiacytidine | 248625.00 | 257412.50 | 236866.67 | 252900.00 | |
| 3-trans-p-Coumaroylrotundic acid | 163050.00 | 233675.00 | 18581.17 | 157900.00 | |
| 4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxazolidine 3... | 76292.50 | 100960.00 | 219666.67 | 126800.00 | |
| 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-... | 802025.00 | 702512.50 | 469183.33 | 658733.33 | |
| 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol | 259600.00 | 273187.50 | 310966.67 | 271500.00 | |
| 4a-Methylzymosterol-4-carboxylic acid | 33320.00 | 77403.75 | 309150.00 | 123966.67 | |
| 4-Decan-4-Ylbenzenesulfonic Acid | 818250.00 | 889112.50 | 969100.00 | 968000.00 | |
| 4-Hydroxy-3-polyprenylbenzoate | 22385.00 | 49820.00 | 13930.00 | 29393.33 | |
| 4-Methoxy-1-naphthol | 416625.00 | 179122.50 | 1310.02 | 173066.67 | |
| 4-Methoxycinnamic Acid | 24220.00 | 24381.25 | 12940.00 | 21280.00 | |
| 4-Methylbenzoic Acid | 6670.25 | 11447.62 | 18398.33 | 11630.00 | |
| 4-Nitrophenol | 223850.00 | 218625.00 | 198600.00 | 216900.00 | |
| 4-Oxoproline | 1074250.00 | 1305750.00 | 1002400.00 | 1189333.33 | |
| 4-(undecan-5-yl)benzene-1-Sulfonic Acid | 846100.00 | 890062.50 | 926666.67 | 959533.33 | |
| 5,10-Pentadecadien-1-ol | 316800.00 | 313000.00 | 455983.33 | 354866.67 | |
| 5-(4-Methyl-5-Oxo-2H-Furan-3-Yl)Pentanoic Acid | 31612.50 | 19675.00 | 13696.67 | 20693.33 | |
| 5-Deoxykievitol | 87687.50 | 31877.50 | 8048.50 | 38760.00 | |
| 5-Hydroxyindoleacetate | 42825.00 | 39675.00 | 55836.67 | 42146.67 | |
| 5^-Methylthioadenosine | 3613500.00 | 3529875.00 | 2918000.00 | 3395000.00 | |
| 6-beta-hydrocortisol | 198125.00 | 139250.00 | 46831.67 | 131766.67 | |
| [6]-Gingerdione | 386500.00 | 341000.00 | 236733.33 | 316966.67 | |
| 6-Hydroxyhexanoic Acid | 103730.00 | 121975.00 | 107166.67 | 117766.67 | |
| 9,10,13-TriHOME | 7012250.00 | 7156375.00 | 7131500.00 | 7127333.33 | |
| 9,10-Dihydroxystearic acid | 1310750.00 | 1415125.00 | 1375000.00 | 1395333.33 | |
| 9,10-Epoxyoctadecanoic acid | 9104000.00 | 10110875.00 | 11515000.00 | 10283333.33 | |
| 9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid | 221875.00 | 233187.50 | 363950.00 | 235400.00 | |
| 9-Oxo-nonanoic acid | 164325.00 | 169862.50 | 205633.33 | 176533.33 | |
| 9(S)-HpOTrE | 3862750.00 | 4323375.00 | 3035000.00 | 3859333.33 | |
| (9Z,12R)-12-Hydroxyoctadec-9-enoic acid | 1525500.00 | 1700625.00 | 2042666.67 | 1711333.33 | |
| Abscisic Acid | 14600.00 | 19910.00 | 69975.00 | 32226.67 | |
| Acebutolol | 9890.25 | 10791.38 | 87681.67 | 30933.33 | |
| Acetyl-DL-Leucine | 44202.50 | 33602.50 | 21928.33 | 34110.00 | |
| Acetylvalerenolic acid | 293700.00 | 630837.50 | 219116.67 | 428500.00 | |
| ACRL Toxin II | 392425.00 | 560987.50 | 204083.33 | 410100.00 | |
| Aflatoxin B2 | 271950.00 | 278625.00 | 118350.00 | 228233.33 | |
| Algestone | 9383.25 | 106691.12 | 18735.00 | 74343.33 | |
| Alpha-Bisabolol oxide A | 305775.00 | 272650.00 | 300616.67 | 290800.00 | |
| Arabinofuranosylguanine | 155025.00 | 210050.00 | 204266.67 | 199133.33 | |
| Arbaprostil | 36180.00 | 57301.25 | 190783.33 | 86660.00 | |
| Arenobufagin | 3649.50 | 109583.00 | 3539.67 | 56543.33 | |
| Arginyllysine | 2387250.00 | 2672500.00 | 689800.00 | 2120333.33 | |
| Artemorin | 48852.50 | 41205.00 | 21936.67 | 37546.67 | |
| AVOCADENE ACETATE | 284750.00 | 312237.50 | 228733.33 | 279433.33 | |
| Azelaic Acid | 376150.00 | 371737.50 | 310433.33 | 387266.67 | |
| Benzyl butyl phthalate | 140000.00 | 75007.50 | 1808.80 | 66616.67 | |
| Bolandiol | 252925.00 | 237675.00 | 36293.33 | 176833.33 | |
| Boldenone | 525200.00 | 542150.00 | 110541.67 | 423133.33 | |
| Brassinolide | 288325.00 | 331212.50 | 223433.33 | 282366.67 | |
| Bufotalin | 141050.00 | 120600.00 | 118116.67 | 93276.67 | |
| Calanolide A | 110750.00 | 95591.25 | 8510.33 | 64323.33 | |
| Cannabigerolate | 56535.00 | 156222.50 | 500050.00 | 215766.67 | |
| Carbenoxolone | 321425.00 | 211475.00 | 323550.00 | 278966.67 | |
| Carmofur | 161150.00 | 180775.00 | 23806.67 | 132666.67 | |
| Chikusetsusaponin Ia | 1750750.00 | 2854000.00 | 8427000.00 | 3923333.33 | |
| Cibaric acid | 820175.00 | 782100.00 | 318316.67 | 664100.00 | |
| Cinncassiol A | 838.30 | 4149.57 | 88261.67 | 22986.67 | |
| Cinncassiol D3 | 572975.00 | 883850.00 | 340816.67 | 646433.33 | |
| Cis-12-Oxophytodienoic acid | 76577.50 | 127402.50 | 26283.33 | 85576.67 | |
| Coniferyl Aldehyde | 447475.00 | 269475.00 | 75335.00 | 250233.33 | |
| Corchorifatty acid D | 1171750.00 | 1293500.00 | 1007500.00 | 1192000.00 | |
| Corchorifatty acid F | 2392250.00 | 2430250.00 | 2605000.00 | 2438666.67 | |
| Cyclopentanecarboxylic acid | 63730.00 | 58570.00 | 70835.00 | 66256.67 | |
| Danielone | 22460.00 | 19921.25 | 23060.00 | 21243.33 | |
| Dehydroandrographolide succinate | 131825.00 | 58672.50 | 2193.75 | 58770.00 | |
| Dehydrocostus Lactone | 32275.00 | 32365.00 | 23558.33 | 32093.33 | |
| Deoxyloganic acid | 16460.00 | 18365.00 | 97213.33 | 38056.67 | |
| DIDP | 267250.00 | 496825.00 | 319383.33 | 414166.67 | |
| Diethyl Phthalate | 77020.00 | 98927.50 | 94428.33 | 95023.33 | |
| Diethylpropion | 233700.00 | 224925.00 | 251383.33 | 233266.67 | |
| Dihydrocorticosterone | 59955.00 | 421446.25 | 91618.33 | 308933.33 | |
| Dipropyl-5-CT | 1021200.00 | 1108625.00 | 347966.67 | 889000.00 | |
| Docosanedioic acid | 89320.00 | 51863.75 | 40586.67 | 53610.00 | |
| Dodecanedioic Acid | 81272.50 | 100481.25 | 81945.00 | 97076.67 | |
| Dodecylbenzenesulfonic Acid | 8620500.00 | 8301750.00 | 8704166.67 | 1866666.67 | |
| Dodecyl Hydrogen Sulfate | 511600.00 | 406600.00 | 410466.67 | 463000.00 | |
| Doxercalciferol | 103640.00 | 89760.00 | 148333.33 | 102956.67 | |
| Dynorphin A 1-8 | 3309.00 | 111558.75 | 1113666.67 | 301733.33 | |
| Ecdysone | 494275.00 | 577887.50 | 132966.67 | 455833.33 | |
| Echinocystic acid | 647800.00 | 452587.50 | 331350.00 | 463000.00 | |
| Elatoside G | 17535.00 | 50382.50 | 317866.67 | 92823.33 | |
| Ensulizole | 463400.00 | 300612.50 | 1005683.33 | 531000.00 | |
| Ethyl glucuronide | 219400.00 | 269350.00 | 442866.67 | 281366.67 | |
| Ethyl pentyl ketone | 12160.00 | 13637.50 | 25433.33 | 16816.67 | |
| Ethyl (S)-3-hydroxybutyrate glucoside | 35390.00 | 30200.00 | 21895.00 | 29046.67 | |
| Ezetimibe-glucuronide | 13175000.00 | 13497500.00 | 11120000.00 | 12846666.67 | |
| Falcarindiol | 384625.00 | 269137.50 | 59721.67 | 256800.00 | |
| FAPy-adenine | 8169.00 | 11723.12 | 20170.00 | 11410.00 | |
| Ferulic Acid | 28422.50 | 15343.75 | 6594.00 | 14890.00 | |
| Floionolic acid | 2120500.00 | 2549500.00 | 2986166.67 | 2574333.33 | |
| Frangulanine | 38775.00 | 50363.75 | 208983.33 | 87430.00 | |
| Furohyperforin | 266100.00 | 211262.50 | 254333.33 | 203000.00 | |
| Gamma-Tocotrienol | 62280.00 | 86933.75 | 197750.00 | 107300.00 | |
| Ganoderiol I | 755400.00 | 519700.00 | 661750.00 | 621200.00 | |
| Geosmin | 61017.50 | 137663.75 | 419333.33 | 190533.33 | |
| Gibberellin A14 | 4224250.00 | 4583375.00 | 966316.67 | 3319000.00 | |
| Ginsenoside B2 | 3667750.00 | 9249625.00 | 33721666.67 | 15956666.67 | |
| Ginsenoside C | 2129750.00 | 5328500.00 | 15238333.33 | 7191666.67 | |
| Ginsenoside F1 | 1933250.00 | 5560625.00 | 15513333.33 | 7540333.33 | |
| Ginsenoside F2 | 4013000.00 | 8540500.00 | 35663333.33 | 14610000.00 | |
| Ginsenoside M7cd | 20400.00 | 193856.25 | 1396000.00 | 455033.33 | |
| Ginsenoside Ra2 | 61757.50 | 262246.25 | 581783.33 | 322933.33 | |
| Ginsenoside Rb1 | 663500.00 | 1236350.00 | 3633166.67 | 1934333.33 | |
| Ginsenoside Rd | 10595000.00 | 24113750.00 | 65986666.67 | 33613333.33 | |
| Ginsenoside Rf | 1871000.00 | 7274125.00 | 30976666.67 | 13086666.67 | |
| Ginsenoside Rh1 | 26642.50 | 146470.00 | 514133.33 | 220266.67 | |
| Ginsenoside Rh2(S-FORM) | 7459750.00 | 12016625.00 | 31393333.33 | 15983333.33 | |
| Ginsenoside Rh8 | 1548500.00 | 2904250.00 | 3543666.67 | 2646000.00 | |
| Glyceryl 5-hydroxydecanoate | 107250.00 | 166737.50 | 135816.67 | 143533.33 | |
| Hexadecanedioic acid | 1482750.00 | 1501875.00 | 1816666.67 | 1563666.67 | |
| Hexadecyl ferulate | 78202.50 | 89375.00 | 44613.33 | 71970.00 | |
| Hexylresorcinol | 889075.00 | 922612.50 | 620600.00 | 804633.33 | |
| Hippuryl-histidyl-leucine | 97180.00 | 113117.50 | 12166.67 | 79440.00 | |
| H-Tyr-gly-gly-phe-leu-arg-arg-ile-OH | 104932.50 | 367237.50 | 1417666.67 | 642233.33 | |
| Indole-3-Carboxylic Acid | 29790.00 | 35437.50 | 23080.00 | 30780.00 | |
| Isoleucyl-Aspartate | 2565.00 | 5258.75 | 40845.00 | 13356.67 | |
| Isopetasoside | 218825.00 | 266987.50 | 96458.33 | 196033.33 | |
| Isoprenyl alcohol | 9309.50 | 13122.50 | 29535.00 | 18713.33 | |
| Jasmonic acid methyl ester | 50787.50 | 53473.75 | 39636.67 | 49920.00 | |
| Jervine | 81990.00 | 96538.75 | 71983.33 | 91576.67 | |
| Ketoleucine | 180600.00 | 220562.50 | 196783.33 | 211433.33 | |
| L-2,3-Dihydrodipicolinate | 58370.00 | 57456.25 | 51356.67 | 57510.00 | |
| Lauroyl peroxide | 78647.50 | 43022.50 | 34613.33 | 48476.67 | |
| Leptin F | 599475.00 | 401700.00 | 33500.00 | 345900.00 | |
| Leptomycin B | 105615.00 | 78085.00 | 134466.67 | 89176.67 | |
| Leucyl-Valine | 62035.00 | 72246.25 | 43261.67 | 64833.33 | |
| Leupeptin | 214775.00 | 252187.50 | 278616.67 | 238600.00 | |
| Lexacalcitol | 83245.00 | 136396.25 | 92140.00 | 106900.00 | |
| L-Glutamate | 1191.00 | 1487.60 | 22543.33 | 6062.33 | |
| Licoricesaponin B2 | 790175.00 | 1877175.00 | 3894166.67 | 2312666.67 | |
| Linoleic acid | 110100.00 | 442650.00 | 243150.00 | 420433.33 | |
| L-Phenylalanine | 18565.00 | 22895.00 | 22695.00 | 23063.33 | |
| Lycopersiconolide | 383675.00 | 174020.00 | 159816.67 | 234266.67 | |
| Mabioside D | 15215.00 | 330059.75 | 1639333.33 | 572133.33 | |
| Mahanimbinol | 118250.00 | 144450.00 | 63470.00 | 92530.00 | |
| Majonoside R1 | 6319.50 | 349746.00 | 3255500.00 | 961233.33 | |
| Majoroside F6 | 8796.25 | 378112.50 | 3446833.33 | 1061000.00 | |
| Malic Acid | 3497.50 | 3851.25 | 7842.00 | 9769.67 | |
| Maltotetraose | 141100.00 | 137962.50 | 161266.67 | 141466.67 | |
| Matairesinol | 530750.00 | 232037.50 | 11659.83 | 233533.33 | |
| Medicagenic acid | 387700.00 | 331475.00 | 162933.33 | 306233.33 | |
| Melilotoside B | 192175.00 | 256950.00 | 452900.00 | 294366.67 | |
| Methyl 2-Hydroxyisobutyrate | 44720.00 | 52586.25 | 37531.67 | 48453.33 | |
| MJDBISSN00000001 | 1304000.00 | 1361625.00 | 1256666.67 | 1378666.67 | |
| MJDBISSN00000003 | 9209500.00 | 8679250.00 | 7518333.33 | 8591000.00 | |
| MJDBISSN00000009 | 85092.50 | 89473.75 | 72025.00 | 87953.33 | |
| Momordin B | 1770500.00 | 3021375.00 | 12400000.00 | 4706666.67 | |
| Monensin A | 84347.50 | 362386.25 | 939366.67 | 454600.00 | |
| Mono-(2-ethyl-5-carboxypentyl) phthalate | 47615.00 | 24126.25 | 4484.83 | 23960.00 | |
| Mono(glucosyluronic acid)bilirubin | 294075.00 | 99848.75 | 377050.00 | 217966.67 | |
| Mukurozidiol | 755675.00 | 715037.50 | 60725.00 | 556233.33 | |
| Mutant IDH1 inhibitor | 4763750.00 | 4138125.00 | 1233166.67 | 3508000.00 | |
| N-(2-Hydroxy-3-methylbutanoyl)leucine | 161450.00 | 179337.50 | 44891.67 | 145233.33 | |
| N-Acetyl-D-tryptophan | 79637.50 | 85377.50 | 101173.33 | 90300.00 | |
| N-Acetylleucine | 27682.50 | 23853.75 | 16893.33 | 22890.00 | |
| Nandrolone | 203050.00 | 289712.50 | 56431.67 | 203266.67 | |
| Narirutin | 544325.00 | 205591.25 | 485266.67 | 350100.00 | |
| Neocnidilide | 182650.00 | 178237.50 | 174383.33 | 177433.33 | |
| Neocnidolide | 15082.50 | 30362.50 | 206016.67 | 75936.67 | |
| Nevirapine | 63680.00 | 59050.00 | 4023.17 | 44823.33 | |
| Nigakihemiacetal B | 126100.00 | 101965.00 | 66170.00 | 102726.67 | |
| Nigericin | 21887.50 | 53436.25 | 422633.33 | 151966.67 | |
| N-OCTANOYL-L-HOMOSERINE LACTONE | 559675.00 | 629625.00 | 280850.00 | 527000.00 | |
| Nonactinic Acid | 15437.50 | 21205.00 | 52618.33 | 27023.33 | |
| NORETHINDRONE ACETATE | 11445000.00 | 10175500.00 | 11101666.67 | 1639666.67 | |
| Notoginsenoside A | 309525.00 | 579050.00 | 1483333.33 | 831400.00 | |
| Notoginsenoside C | 39902.50 | 52337.50 | 207866.67 | 97470.00 | |
| Notoginsenoside J | 7848.00 | 189705.25 | 1636666.67 | 501533.33 | |
| Notoginsenoside T1 | 127300.00 | 607750.00 | 1158000.00 | 642933.33 | |
| Notoginsenoside T2 | 2132500.00 | 2455375.00 | 3014166.67 | 2349333.33 | |
| Ovalicin | 110525.00 | 104963.75 | 88628.33 | 102833.33 | |
| Oxotremorine | 351075.00 | 324587.50 | 149150.00 | 274100.00 | |
| Oxypurinol | 91907.50 | 89473.75 | 136650.00 | 116933.33 | |
| PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:2(11Z,14Z)) | 452450.00 | 333850.00 | 131850.00 | 296066.67 | |
| Palmitaldehyde | 114875.00 | 116375.00 | 133083.33 | 119533.33 | |
| PA(PGE1/P-16:0) | 394875.00 | 292762.50 | 282633.33 | 315866.67 | |
| (+/-)-Pelletierine | 265925.00 | 280237.50 | 175200.00 | 255100.00 | |
| Pentadecanal | 309975.00 | 294437.50 | 367316.67 | 302266.67 | |
| Peperinic acid | 961300.00 | 1170962.50 | 278750.00 | 873133.33 | |
| PE(PGJ2/18:1(9Z)) | 20760.00 | 93153.75 | 343150.00 | 125433.33 | |
| Perfluorooctanoic acid | 325300.00 | 292375.00 | 235783.33 | 287766.67 | |
| PG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:3(5Z,8Z,11Z)) | 4907.00 | 148486.88 | 1297500.00 | 392600.00 | |
| PG(i-19:0/PGJ2) | 20335.00 | 88650.00 | 447183.33 | 170666.67 | |
| PGP(18:0/16:1(9Z)) | 95095.00 | 260212.50 | 1258166.67 | 470133.33 | |
| Phenoxyacetic Acid | 23782.50 | 26218.75 | 23796.67 | 24730.00 | |
| Phenylpyruvic Acid | 31175.00 | 29496.25 | 13158.33 | 26690.00 | |
| Phthalic Acid | 190050.00 | 197437.50 | 195666.67 | 202100.00 | |
| PI(16:0/16:1(9Z)) | 283825.00 | 1106925.00 | 1813833.33 | 1068666.67 | |
| PIP(18:0/18:1(9Z)) | 13396.67 | 220983.75 | 1144166.67 | 405833.33 | |
| P-Menthane-3,8-diol | 600675.00 | 444712.50 | 170283.33 | 409133.33 | |
| Pomiferin | 5774.50 | 112894.43 | 3245.25 | 57680.00 | |
| Prostaglandin D1 | 574725.00 | 555737.50 | 581383.33 | 568433.33 | |
| Prostaglandin D1 Alcohol | 99995.00 | 99555.00 | 129766.67 | 106000.00 | |
| Prostaglandin J2 | 1932000.00 | 2679125.00 | 735116.67 | 1975666.67 | |
| PS(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/18:0) | 339275.00 | 898375.00 | 3560500.00 | 1372333.33 | |
| PSOROMIC ACID | 83417.50 | 76610.00 | 48556.67 | 67943.33 | |
| P-Toluenesulfonic Acid | 128025.00 | 105360.00 | 123000.00 | 118933.33 | |
| Pulegone | 27475.00 | 34550.00 | 80763.33 | 43443.33 | |
| Pyrrhoxanthinol | 7703.00 | 20172.86 | 212200.00 | 54060.00 | |
| (R)-2-Hydroxystearic Acid | 121850.00 | 84632.50 | 85325.00 | 96913.33 | |
| (R+)-3-(4-hydroxyphenyl)lactate | 140250.00 | 70162.50 | 7586.33 | 67386.67 | |
| Raffinose | 867550.00 | 1234687.50 | 2510000.00 | 1311333.33 | |
| Ramifenazone | 57075.00 | 65600.00 | 211433.33 | 89030.00 | |
| Rehmannic acid | 267700.00 | 181562.50 | 28801.67 | 140066.67 | |
| Rishitin | 930825.00 | 958075.00 | 529783.33 | 812666.67 | |
| (S)-10,16-Dihydroxyhexadecanoic acid | 736950.00 | 726000.00 | 2461666.67 | 1206333.33 | |
| Scyphostatin | 376625.00 | 472050.00 | 1202666.67 | 593466.67 | |
| Sebacic Acid | 121225.00 | 122787.50 | 106700.00 | 120466.67 | |
| Sesamose | 286050.00 | 411362.50 | 1027716.67 | 469566.67 | |
| SM(d18:2(4E,14Z)/PGJ2) | 376125.00 | 642450.00 | 2814666.67 | 1159000.00 | |
| Soyasapogenol A | 889800.00 | 569700.00 | 883783.33 | 701366.67 | |
| Spinasaponin A | 203775.00 | 688987.50 | 2136166.67 | 907100.00 | |
| Strophanthidin | 35080.00 | 142131.25 | 43716.67 | 92846.67 | |
| Suberic Acid | 89915.00 | 79686.25 | 55338.33 | 82640.00 | |
| Sugeonol | 208925.00 | 160125.00 | 134383.33 | 173600.00 | |
| Sulindac | 564900.00 | 561650.00 | 484433.33 | 531033.33 | |
| Testosterone | 984775.00 | 2094387.50 | 536300.00 | 1419666.67 | |
| Tetradecanal | 96625.00 | 110123.75 | 108533.33 | 107733.33 | |
| Tetrahydrocortisone | 216975.00 | 226787.50 | 410000.00 | 266533.33 | |
| Threonylleucine | 31602.50 | 36981.25 | 20801.67 | 29770.00 | |
| Thromboxane B2 | 386300.00 | 375175.00 | 357266.67 | 371900.00 | |
| Tragopogonsaponin A | 5549.50 | 24993.10 | 324416.67 | 90240.00 | |
| Trehalose | 1930500.00 | 2419125.00 | 2718500.00 | 2311333.33 | |
| Triamcinolone acetonide 21-palmitate | 4505.00 | 56408.38 | 451366.67 | 137100.00 | |
| Uridine | 23667.50 | 36763.75 | 86161.67 | 44366.67 | |
| Valylisoleucine | 51787.50 | 57428.75 | 31055.00 | 52046.67 | |
| Valylleucine | 100025.00 | 116082.50 | 67923.33 | 101966.67 | |
| Verbascose | 237600.00 | 384325.00 | 928233.33 | 426500.00 | |
| Vinaginsenoside R12 | 6700.75 | 72433.88 | 506666.67 | 165500.00 | |
| Vinaginsenoside R13 | 5177.00 | 197516.67 | 1410333.33 | 389933.33 | |
| Vinaginsenoside R17 | 522575.00 | 1113987.50 | 4782833.33 | 1887666.67 | |
| Vinaginsenoside R4 | 86087.50 | 257492.50 | 1291666.67 | 457533.33 | |
| VIQUALINE | 1443500.00 | 1542875.00 | 718250.00 | 1066666.67 | |
| Xanthoplanine | 554575.00 | 208190.00 | 72955.00 | 242466.67 | |
| Xi-3-Methyl-3-cyclohexen-1-ol | 60020.00 | 65018.75 | 79033.33 | 65016.67 | |
| Zingerone | 49905.00 | 48193.75 | 40916.67 | 47326.67 |
Factors:
| F1 | endo-borneol concentration:0 |
| F2 | endo-borneol concentration:0.1 mg/L |
| F3 | endo-borneol concentration:100 mg/L |
| F4 | endo-borneol concentration:QC |
