Data for (Study ST003307)
(Analysis AN005418)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 |
|---|---|---|---|---|
| 1,10-Epoxygermacrone | 0.8322 | 1.6023 | 0.2499 | 1.1179 |
| 11-Oxohexadecanoic acid | 0.9983 | 0.9852 | 1.0203 | 1.0011 |
| 1,2,3,4-Tetrahydronaphthalene | 0.8565 | 1.0540 | 1.0163 | 1.0149 |
| 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperidine-3-carboxamide | 1.0119 | 1.1022 | 0.8369 | 1.0377 |
| 1,25-Dihydroxy-16-ene-23-yne-vitamin D3 | 1.1049 | 1.1442 | 0.7971 | 0.8813 |
| 1,25-Dihydroxy-19-norvitamin D3 | 0.2699 | 0.5775 | 2.1845 | 0.7309 |
| 1,25-Dihydroxyvitamin D3-26,23-lactone | 0.7243 | 0.9701 | 1.2460 | 0.9555 |
| 1,2,5-Trihydroxypyrrole-3-sulfonic acid | 1.0718 | 1.0019 | 0.9333 | 1.0326 |
| 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one | 0.0918 | 0.5151 | 2.0839 | 0.8719 |
| 12-Hydroxy-8,10-octadecadienoic acid | 0.9546 | 1.1127 | 0.8641 | 1.0319 |
| 12-Ketodeoxycholic acid | 0.4755 | 1.1609 | 1.1172 | 1.0359 |
| 12-oxo-PDA | 0.8831 | 1.0965 | 0.9342 | 1.0300 |
| 12(S)-HETrE | 1.1576 | 1.0224 | 0.8719 | 0.9864 |
| 12S-HHT | 0.9503 | 1.0300 | 0.9786 | 1.0291 |
| 13,16,19-Docosatrienoic acid | 0.2849 | 0.7152 | 1.8835 | 0.9460 |
| 13,16-Docosadienoic acid | 0.2147 | 0.4433 | 1.7523 | 0.8707 |
| (13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid | 0.9640 | 1.3464 | 0.5425 | 1.0393 |
| 13(S)-Hydroperoxylinolenic acid | 0.9961 | 1.0529 | 0.8846 | 1.0948 |
| 15-Deoxyprostaglandin J2 | 0.0867 | 1.1331 | 1.3297 | 0.6833 |
| 15-keto-PGE1 | 1.0317 | 1.0521 | 0.9117 | 0.9954 |
| 16-Hydroxyhexadecanoic acid | 1.0393 | 0.8742 | 0.9249 | 1.4333 |
| 17-Hydroxylinolenic acid | 0.9717 | 0.9798 | 1.0472 | 0.9972 |
| 1-Carboxycyclohexaneacetic Acid | 1.0786 | 1.1317 | 0.8024 | 0.9392 |
| 1-Isopropyl citrate | 0.9078 | 1.0874 | 0.9161 | 1.0577 |
| 1-Methyl-1,3-cyclohexadiene | 0.4482 | 0.7665 | 1.6680 | 1.0223 |
| 1-Methyl-2-hydroadenosine | 0.8276 | 1.0336 | 1.0555 | 1.0294 |
| 1-Methyl-2-Pyrrolidinone | 1.4254 | 1.0244 | 0.6354 | 1.0970 |
| 1-Naphthol | 0.5665 | 1.0277 | 1.2432 | 1.0177 |
| 1-Pentanol | 1.1369 | 0.9986 | 0.8705 | 1.0800 |
| 20-Carboxy-leukotriene B4 | 0.9930 | 1.4680 | 0.3601 | 1.0411 |
| (20E)-Ginsenoside F4 | 0.0706 | 0.4334 | 2.3998 | 0.9506 |
| (20R)-Ginsenoside Rh2 | 0.2206 | 0.6124 | 2.0777 | 0.9174 |
| 22-Angeloylbarringtogenol C | 0.3009 | 0.6713 | 1.8856 | 1.0373 |
| 2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy | 1.0994 | 1.2081 | 0.6401 | 1.0325 |
| 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid | 0.8683 | 0.8152 | 1.3256 | 1.0173 |
| 2,4,4-Trimethylcyclopentanone | 1.0173 | 0.9768 | 1.0236 | 0.9916 |
| 2,5-Heptadien-1-ol | 0.9186 | 1.0490 | 0.9936 | 0.9908 |
| 2(5H)-Furanone | 0.3454 | 0.6772 | 1.8536 | 1.0264 |
| 25(R)-Hydroxyprotopanaxadiol | NA | 0.0463 | 1.7994 | 0.3549 |
| 2-Acetoxy-4-Pentadecylbenzoic Acid | 0.9946 | 0.9694 | 1.0429 | 1.0030 |
| (2alpha,3beta)-20(29)-Lupene-2,3,28-triol | 0.1899 | 0.6002 | 2.0951 | 0.9561 |
| 2-Amino-2-methyl-1-propanol | 0.9327 | 1.1438 | 0.8408 | 1.0247 |
| 2-Amino-3-cyclohexylpropanoic acid | 1.1447 | 1.0448 | 0.8277 | 1.0321 |
| 2-Amino-4-oxo-6-(1^,2^-dioxoprolyl)-7,8-dihydroxypteridine | 0.8784 | 0.9927 | 1.1086 | 0.9644 |
| 2-Aminobutan-1-ol | 1.0594 | 1.0332 | 0.8735 | 1.0853 |
| 2-Butyne-1,4-diol | 0.5118 | 0.3832 | 0.4456 | 4.4043 |
| 2-Cyclopentene-1,4-dione | 0.9338 | 1.0080 | 1.0179 | 1.0311 |
| 2-(Diisopropylamino)ethanol | 1.0234 | 1.0327 | 0.9429 | 0.9957 |
| 2-Hexenoylcarnitine | NA | NA | 1.2707 | 0.1878 |
| 2-hydroxy-3-methyl-2-Cyclopenten-1-one | 1.0140 | 1.0452 | 0.9328 | 0.9952 |
| 2-Hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate | 0.9968 | 1.0114 | 0.9805 | 1.0128 |
| 2-Hydroxyacetophenone | 1.7440 | 1.0900 | 0.3426 | 1.0827 |
| 2-Hydroxyadenine | 0.7300 | 0.8887 | 1.3377 | 0.9814 |
| 2-Hydroxypent-3-enenitrile | 1.0258 | 1.1364 | 0.7536 | 1.0947 |
| 2-Hydroxypurine | 0.7641 | 0.8444 | 1.3546 | 1.0204 |
| 2-Keto-6-acetamidocaproate | 0.9751 | 0.9164 | 1.1614 | 0.9334 |
| 2-n-Propyl-4-oxopentanoic acid | 1.2307 | 0.9975 | 0.8370 | 1.0250 |
| 2-(Octadecyloxy)ethanol | 1.0467 | 1.0369 | 0.8986 | 1.0421 |
| 2-Pentyl-3-phenyl-2-propenal | 0.1148 | 1.1398 | 1.3849 | 1.0377 |
| 2-Phenyl-1,3-propanediol monocarbamate | 1.1136 | 1.2315 | 0.5834 | 1.0643 |
| 2-Phenylacetamide | 1.2768 | 1.1212 | 0.6004 | 1.1069 |
| 2-Phenylethanol glucuronide | 0.2122 | 0.3146 | 2.5193 | 0.8394 |
| 2-Pyrrolidinone | 1.0441 | 1.0377 | 0.9039 | 1.0330 |
| (2S,3S)-3-Decyl-2-Hydroxy-2-(3-Methoxy-3-oxopropyl)butanedioic Acid | 1.4837 | 1.4215 | 0.0860 | 1.0590 |
| 2-trans-6-cis-Dodecadienal | 0.7868 | 1.1170 | 0.9874 | 0.9975 |
| 3,4-dihydroxyphenylacetic Acid | 0.5585 | 0.9594 | 1.3372 | 1.0227 |
| 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid | 0.3891 | 0.4289 | 2.2341 | 0.8694 |
| 3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic acid | 0.3192 | 0.5577 | 2.0722 | 0.9428 |
| 3,5,5-Trimethyl-1,2-cyclohexanedione | 0.9850 | 0.9090 | 1.1156 | 1.0316 |
| 3,5-Dihydroxy-6,7-megastigmadien-9-one | 0.1732 | 0.3704 | 2.4392 | 0.9031 |
| 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid | 0.3974 | 1.0066 | 1.4294 | 0.9270 |
| 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate | 0.0511 | 0.1126 | 2.4000 | 0.6073 |
| 3alpha-Hydroxyoreadone | 0.3888 | 1.0730 | 1.2911 | 1.0381 |
| (3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol | 1.1380 | 0.8889 | 1.0325 | 1.0472 |
| 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole | 2.5308 | 0.7328 | 0.2413 | 1.1889 |
| (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol | NA | 0.2341 | 2.0166 | 0.4987 |
| 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate | 0.1345 | 0.4482 | 2.0259 | 0.3404 |
| (3E,5E)-1,3,5-octatriene | 0.7381 | 0.9343 | 1.2619 | 1.0006 |
| (3E,5Z)-3,5-Octadien-1-ol | 1.1543 | 1.0726 | 0.7901 | 1.0204 |
| 3-ethylphenyl Sulfate | 0.7666 | 1.2472 | 0.8473 | 0.9575 |
| 3-Hydroxy-4-aminopyridine sulfate | 1.0262 | 1.0124 | 0.9446 | 1.0429 |
| 3-Hydroxyibuprofen | 0.1244 | 0.3949 | 2.4029 | 0.7737 |
| 3-Iodoprop-2-yn-1-yl Butylcarbamate | 1.0170 | 1.0557 | 0.9595 | 0.9098 |
| 3-Ketosphingosine | 1.0807 | 0.8495 | 1.2270 | 0.8397 |
| 3-Methyl-3H-imidazo[4,5-f]quinolin-2-Amine | 1.1330 | 1.0397 | 0.8356 | 1.0454 |
| 3-Methylsuberic acid | 1.0386 | 1.0925 | 0.8420 | 1.0181 |
| 3-O-(beta-D-Glucopyranosyl)-soyasapogenol B | 0.1064 | 0.5253 | 2.2353 | 0.9867 |
| 3-Oxo-12,18-ursadien-28-oic acid | 0.4548 | 0.7303 | 1.7535 | 0.9391 |
| (3S,3^S,5R,5^R,6R)-3,6-Epoxy-5,6-dihydro-3^,5,8^-trihydroxy-beta,kappa-caroten-6^-one | 0.8627 | 1.1091 | 0.9196 | 1.0529 |
| (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one | 0.0610 | 0.2062 | 2.7576 | 0.8537 |
| 4-(1,1,3,3-Tetramethylbutyl)-phenol | 1.0376 | 0.8232 | 1.2276 | 0.9662 |
| 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone | 1.0746 | 0.8552 | 1.1729 | 0.9408 |
| 4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamide | 0.1481 | 0.3033 | 2.5301 | 0.9335 |
| 4-[[4-[(1-propylsulfonylpiperidin-4-yl)methyl]phenyl]methoxy]pyridine | 1.0173 | 1.3936 | 0.4076 | 1.1120 |
| 4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone | 0.8470 | 1.0222 | 1.0696 | 1.0054 |
| 4,5-Dihydrovomifoliol | 0.4073 | 0.8316 | 1.4363 | 1.3668 |
| 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol | 0.3444 | 0.7736 | 1.7978 | 0.8824 |
| 4alpha-Methylzymosterol | 0.4666 | 1.0116 | 1.3481 | 0.9839 |
| 4-Amino-5-hydroxymethyl-2-methylpyrimidine | 1.2298 | 1.0987 | 0.7229 | 0.9845 |
| 4-Aminobutyraldehyde | 0.9273 | 0.9586 | 1.0941 | 1.0192 |
| 4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al | 1.3205 | 0.8193 | 1.0880 | 0.8785 |
| 4-Guanidinobutanoic Acid | 1.1146 | 1.0640 | 0.8160 | 1.0446 |
| 4-Hydroxybenzaldehyde | 1.0672 | 0.9886 | 0.9472 | 1.0464 |
| 4-Hydroxymethylpyrazole | 0.8775 | 0.9029 | 1.1954 | 1.0315 |
| 4-Hydroxynonenal | 0.7577 | 0.9124 | 1.2799 | 0.9969 |
| 4-Hydroxyquinoline | 0.9268 | 1.0136 | 1.0297 | 1.0020 |
| 4-Hydroxyretinoic acid | 0.3200 | 1.5718 | 0.1220 | 0.6745 |
| 4-Mercapto-ethyl-pyridine | 1.0236 | 1.0365 | 0.9284 | 1.0143 |
| 4-Methyl-5-Thiazoleethanol | 1.1030 | 0.8540 | 1.1325 | 0.9870 |
| 4-O,6-O-Benzylidene-alpha-D-glucopyranose | 0.1263 | 0.3003 | 2.5695 | 0.8919 |
| 4-Octylphenol | 0.1468 | 0.5396 | 2.3256 | 0.5608 |
| 4-oxo-Retinoic acid | 1.4883 | 1.2767 | 0.2766 | 1.0579 |
| 4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl- | 1.1980 | 1.0976 | 0.7288 | 1.0181 |
| 4-Vinylcyclohexene | 0.3688 | 0.5469 | 2.0943 | 0.8613 |
| 5,6,7,8-tetrahydro-2-Naphthoic Acid | 0.3053 | 0.4136 | 2.2481 | 0.9940 |
| 5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one | 0.9264 | 1.0687 | 0.9480 | 1.0190 |
| 5,6-Epoxy-8,11,14-eicosatrienoic acid | 0.7470 | 1.0065 | 1.1449 | 1.0303 |
| 5-(6-hydroxy-6-methyloctyl)furan-2(5H)-one | 0.0553 | 0.1910 | 2.7485 | 0.9201 |
| 5alpha-Androst-1-en-3-one | 0.7809 | 1.5093 | 0.4643 | 1.0055 |
| 5^-Deoxy-5-fluorouridine | 1.0934 | 1.0422 | 0.8597 | 1.0436 |
| 5^-Deoxyadenosine | 0.7948 | 1.0502 | 1.0889 | 0.9619 |
| 5-HPETE | 1.2719 | 1.0686 | 0.6948 | 1.0649 |
| 5-Hydroxy-2-imino-1-methylimidazolidin-4-one | 0.9243 | 1.0914 | 0.9120 | 1.0333 |
| 5-Hydroxy-3,3^,4^,7,8-pentamethoxyflavone | 1.2735 | 1.1026 | 0.6890 | 0.9838 |
| 5-Hydroxycapsanthin-5,6-epoxide | 1.0201 | 1.0112 | 0.9760 | 0.9915 |
| 5-Hydroxyoct-2-enedioylcarnitine | 0.9134 | 1.3243 | 0.6183 | 1.0139 |
| 5-KETE | 1.0818 | 1.5056 | 0.2753 | 0.9921 |
| 5-Megastigmen-7-yne-3,9-diol 3-glucoside | 1.1155 | 1.2500 | 0.5650 | 1.0492 |
| 5-Methyl-2-furaldehyde | 0.9946 | 1.0140 | 0.9738 | 1.0223 |
| 5^-Phosphoribosyl-N-formylglycinamide | 0.7816 | 0.9659 | 1.2047 | 0.9728 |
| 5(S)-Hydroperoxyeicosatetraenoic acid | 0.2271 | 1.8544 | 0.0890 | 0.9669 |
| (5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic Acid | 0.6769 | 0.9861 | 1.2406 | 0.9868 |
| 6,9,12,15,18,21-Tetracosahexaenoic acid | 0.0877 | 0.5200 | 2.3058 | 0.8847 |
| 6-Dehydrotestosterone glucuronide | 2.0335 | 0.6664 | NA | 0.5116 |
| 6-Deoxocastasterone | 1.0774 | 1.0065 | 0.9025 | 1.0745 |
| 6-deoxoteasterone | 0.0586 | 0.4778 | 2.3601 | 0.9274 |
| 6-Methyl-5,6-dihydro-4H-1,3-thiazin-2-amine | 0.7325 | 0.9905 | 1.2096 | 0.9629 |
| 7-Acetylintermedine | NA | 1.3559 | NA | 0.2883 |
| 7a-Hydroxyandrost-4-ene-3,17-dione | 1.0832 | 1.2990 | 0.5104 | 1.0710 |
| 7alpha,17beta-Dihydroxyandrost-4-en-3-one | 0.9575 | 1.1299 | 0.8381 | 1.0340 |
| (+/-)7-epi Jasmonic Acid | 0.9201 | 0.9221 | 1.1446 | 1.0250 |
| (7-methoxy-1-benzofuran-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone | 0.2578 | 0.3658 | 2.3773 | 0.9261 |
| 8-Amino-7-oxononanoic acid | 1.3021 | 1.0060 | 0.7682 | 1.0448 |
| 8-Hydroxyquinoline | 0.8970 | 0.8663 | 1.3128 | 0.8682 |
| 9,10-Epoxystearic acid | 0.5872 | 0.8891 | 1.4249 | 0.9963 |
| 9,12,13-TriHOME | 1.0827 | 0.9579 | 1.0057 | 0.9907 |
| 9,19-Cyclolanost-25-ene-3,24-diol | 0.4150 | 0.7330 | 1.7639 | 0.9642 |
| 9H-Purine-9-ol | 0.8023 | 0.9478 | 1.1718 | 1.0593 |
| 9-Hydroxylinoleic acid | 0.9328 | 0.9346 | 1.1315 | 1.0009 |
| 9(S)-HODE | 0.8593 | 0.9503 | 1.1671 | 0.9859 |
| 9(S)-HPODE | 0.8176 | 0.9960 | 1.1270 | 0.9999 |
| 9-Tetradecenoic acid | 0.3837 | 0.6869 | 1.8766 | 0.9034 |
| Acetolein | 0.8364 | 1.1868 | 0.8421 | 1.0358 |
| Acetylisoniazid | 2.5341 | 0.9071 | 0.1887 | 0.8248 |
| Actein | 1.1619 | 0.6930 | 1.1951 | 1.2126 |
| Adenine | 0.8107 | 0.9651 | 1.1798 | 0.9859 |
| Adenosine | 0.8499 | 1.0212 | 1.0879 | 0.9678 |
| Ala-Leu | 0.9235 | 0.9939 | 1.0332 | 1.0520 |
| Alisol A | 0.2754 | 0.8898 | 1.6559 | 0.9482 |
| Alisol B | 1.2057 | 0.8977 | 0.9795 | 1.0395 |
| All-trans-13,14-dihydroretinol | 1.4567 | 0.9337 | 0.8063 | 0.9552 |
| Alpha-Bisabolol oxide B | 0.8516 | 0.9688 | 1.1438 | 0.9934 |
| Alpha-curcumene | 0.9218 | 0.9779 | 1.0881 | 0.9871 |
| Alpha-Cyperol | 0.9505 | 0.9190 | 1.1540 | 0.9740 |
| Alpha-Elemolic acid | NA | 0.1952 | 2.0115 | 0.3182 |
| Alpha,gamma-Onoceradienedione | 0.8454 | 0.9168 | 1.1889 | 1.0503 |
| Alpha-Ionone | 1.1234 | 0.8897 | 1.0509 | 1.0280 |
| Alpha-Irone | 0.3289 | 0.7120 | 1.8355 | 0.9917 |
| Alpha-Muricholic Acid | 0.1546 | 0.6597 | 2.0511 | 0.9325 |
| Alpha-Terpineol acetate | 1.2218 | 0.9313 | 0.9536 | 0.9804 |
| Alpha-Terpineol propanoate | 0.5477 | 0.9268 | 1.2769 | 1.2444 |
| Aminocaproic acid | 0.8342 | 1.2232 | 0.8049 | 1.0160 |
| Andrographolide | 0.3527 | 1.5164 | 0.0696 | 0.7961 |
| ANETHOLE | 0.3699 | 0.9443 | 1.4741 | 1.0402 |
| Annonacin | 1.0961 | 1.0105 | 0.5323 | 1.6234 |
| Arctiol | 1.1169 | 0.8625 | 1.1062 | 0.9985 |
| Arkofix | 1.0983 | 1.0223 | 0.9152 | 0.9792 |
| Ascorbyl stearate | 0.9546 | 1.7023 | 0.0603 | 1.0672 |
| Bafilomycin A1(Baf-A1) | NA | 0.2769 | 1.9122 | 0.6219 |
| Barringtogenol C | 0.0569 | 0.5680 | 1.7904 | 0.7417 |
| Behenic acid | 0.7870 | 0.8539 | 1.0966 | 1.4803 |
| Benzeneacetonitrile | 0.9090 | 0.9810 | 1.0802 | 1.0115 |
| Beta-Cortol | 0.8234 | 0.9953 | 1.1192 | 1.0096 |
| Beta-D-ribosylnicotinate | 0.2683 | 0.7492 | 1.9353 | 0.7740 |
| Betaine | 0.9656 | 1.1345 | 0.8538 | 0.9796 |
| Beta-Thujaplicin | 0.1538 | 0.6534 | 2.0979 | 0.8568 |
| Betulin | 0.3033 | 0.6310 | 1.9866 | 0.9397 |
| Betulinic acid | NA | 0.1309 | 2.1221 | 0.4940 |
| Biuret | 1.4276 | 0.8866 | 0.8789 | 0.9744 |
| Brassidic acid | 0.8966 | 0.8676 | 1.1819 | 1.1273 |
| Butylisopropylamine | 1.0116 | 1.0280 | 0.9477 | 1.0142 |
| Butyrylcarnitine | 1.1209 | 1.3475 | 0.4326 | 1.0468 |
| C2 PHYTOCERAMIDE | 0.6838 | 0.9598 | 1.2587 | 1.0114 |
| Cafestol | 0.9586 | 1.0130 | 0.9901 | 1.0404 |
| Cajanol | 1.5362 | 1.4573 | 0.0310 | 1.0036 |
| Camelliagenin C | 0.7670 | 0.9679 | 1.2008 | 0.9946 |
| Caprylic acid | 1.0178 | 0.9539 | 1.0299 | 1.0393 |
| Capsidiol | 0.8371 | 0.8975 | 1.2579 | 0.9749 |
| Carbamothioic acid, diethyl- | 1.9700 | 0.9379 | 0.3814 | 1.1095 |
| Carotol | 1.0407 | 1.1719 | 0.7030 | 1.0814 |
| Carteolol | 1.2479 | 1.2979 | 0.4703 | 0.9346 |
| Carvone | 0.8188 | 1.2331 | 0.8226 | 0.9747 |
| Cerulenin | 1.1796 | 1.2886 | 0.4705 | 1.0500 |
| Cetyl recinoleate | 1.2616 | 1.0549 | 0.9061 | 0.6925 |
| Chavicol | 1.1202 | 0.8952 | 1.0352 | 1.0488 |
| CHEBI:69439 | 1.3051 | 1.0605 | 0.6794 | 1.0729 |
| Chenodeoxycholylserine | 0.8895 | 0.8110 | 1.3171 | 1.0174 |
| Chlorobenzene | 1.0633 | 1.0401 | 0.9059 | 0.9969 |
| Cholylsarcosine | 0.7391 | 0.7467 | 1.5078 | 1.0078 |
| Cidofovir | 1.0225 | 1.0818 | 0.9027 | 0.9465 |
| Cinnamaldehyde | 1.1444 | 0.9823 | 0.9129 | 1.0289 |
| Cinnamyl acetate | 0.4382 | 0.9386 | 1.4650 | 0.9827 |
| Cinncassiol C2 | 1.0500 | 1.3633 | 0.4380 | 1.0885 |
| Cis-Dihydrocarvone | 0.5607 | 0.7847 | 1.5583 | 1.0433 |
| Cis-Quinceoxepane | 1.0191 | 0.8863 | 1.1224 | 1.0330 |
| Citreoviridinol A1 | 0.1888 | 1.0057 | 1.3562 | 1.0836 |
| Clausarinol | 1.1361 | 0.9108 | 1.0067 | 1.0432 |
| Clavulanate | 1.0117 | 1.1120 | 0.8299 | 1.0260 |
| Cnidilide | 0.8747 | 1.0489 | 1.0533 | 0.9301 |
| Cnp-maltotrioside | 0.9959 | 1.0910 | 0.9112 | 0.9404 |
| Coniferaldehyde | 2.3155 | 0.9095 | 0.2265 | 1.0342 |
| Coniferyl alcohol | 1.5581 | 0.8233 | NA | 0.7269 |
| Cortisone acetate | 0.3598 | 0.8756 | 1.6467 | 0.8920 |
| Coumarin | 2.0145 | 1.1632 | 0.0842 | 1.0439 |
| Crotetamide | 1.0061 | 1.1710 | 0.7636 | 1.0087 |
| Cucurbic acid | 0.9637 | 1.1027 | 0.9518 | 0.8710 |
| Cuminaldehyde | 0.1930 | 1.3852 | 1.0432 | 0.9625 |
| Curdione | 1.2866 | 1.1580 | 0.5656 | 1.0652 |
| Cycloart-23-ene-3beta,25-Diol | 0.4192 | 0.5907 | 1.9855 | 0.8948 |
| Cyclohexane | 1.0195 | 1.0252 | 0.9477 | 1.0114 |
| Cyclo(his-pro) | 0.0466 | 0.1595 | 2.4893 | 0.6181 |
| Cyclo(L-Phe-L-Pro) | 1.1113 | 1.0592 | 0.8235 | 1.0467 |
| Cyclooctyne | 0.3714 | 0.6823 | 1.8452 | 0.9947 |
| Cyclopentanol | 0.9442 | 0.9225 | 1.1519 | 0.9775 |
| Cyperolone | 0.2437 | 0.8030 | 1.7705 | 0.9927 |
| Cysteinylhydroxyproline | 1.4137 | 1.2790 | 0.3219 | 1.0606 |
| Cytidine | 0.6360 | 0.8279 | 1.5263 | 0.8917 |
| Cytosine | 0.7787 | 1.0048 | 1.1571 | 0.9682 |
| D6-Ambrettolide | 0.3224 | 0.7344 | 1.7983 | 1.0151 |
| Dalfopristin | 0.4821 | 0.8900 | 1.4552 | 1.0736 |
| Daucol | 1.1033 | 0.8132 | 1.1355 | 1.0894 |
| Daunosamine | 0.9954 | 1.0264 | 0.9622 | 1.0114 |
| D-(+)-dihydrocarvone | 1.0793 | 0.8112 | 1.1884 | 1.0209 |
| Decyl alcohol | NA | 0.1100 | 1.8822 | 0.4223 |
| Dehydrocurdione | 1.1205 | 1.0790 | 0.8115 | 1.0057 |
| Dehydrophytosphingosine | 0.4140 | 0.5260 | 2.0679 | 0.9095 |
| (+)-Dehydrovomifoliol | 0.1478 | 0.4331 | 2.2761 | 0.9069 |
| Dehydrovomifoliol | 0.3480 | 0.6049 | 1.9744 | 0.9743 |
| Delta-CEHC | 0.6046 | 1.0815 | 1.1577 | 0.9944 |
| Deoxyadenosine | 0.9070 | 1.0885 | 0.9286 | 1.0307 |
| Deoxycholylarginine | 1.0375 | 1.0153 | 0.9388 | 1.0314 |
| Deoxycytidine | 0.8905 | 1.0919 | 0.9195 | 1.0619 |
| Desmethylmisonidazole | 1.2239 | 1.0565 | 0.7519 | 1.0468 |
| Desogestrel | 1.7556 | 0.9033 | 0.0561 | 0.5650 |
| DG(16:1(9Z)/14:1(9Z)/0:0) | 1.0324 | 1.0260 | 0.9272 | 1.0331 |
| DG(8:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0) | 0.4378 | 1.5202 | 0.4401 | 0.9199 |
| DG(8:0/a-17:0/0:0) | NA | 0.2300 | 2.0020 | 0.5360 |
| D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose | 0.8731 | 0.9657 | 1.1532 | 0.9542 |
| DG(i-14:0/PGJ2/0:0) | 1.0981 | 1.4245 | 0.3027 | 1.1318 |
| Dibutylamine | 1.3567 | 0.9860 | 0.7689 | 1.0241 |
| Diethanolamine | 1.0443 | 1.2070 | 0.6516 | 1.0859 |
| Diethyltoluamide | 0.3245 | 0.9714 | 1.5015 | 0.9739 |
| Dihydroceramide | 0.7450 | 0.8989 | 1.3046 | 1.0003 |
| Dihydroceramide C2 | 0.6671 | 0.9007 | 1.3691 | 0.9703 |
| Dihydroconiferyl alcohol | 0.9213 | 1.1247 | 0.8695 | 1.0334 |
| Dihydrojasmonic acid | 1.0675 | 0.9425 | 1.0086 | 1.0462 |
| Dihydrotachysterol | 0.2674 | 0.8374 | 1.7177 | 0.9749 |
| Dihydrouracil | 0.9935 | 1.0054 | 0.9858 | 1.0226 |
| Dihydrozeatin | NA | 0.0827 | 1.9746 | 0.5797 |
| Dillanol | 1.4303 | 0.5167 | 1.3935 | 0.9281 |
| Dimethyl Sulfoxide | 1.1745 | 1.0002 | 0.8928 | 0.9813 |
| DL-4-Hydroxyphenyllactic Acid | 0.0838 | 0.0937 | 2.0129 | 0.4913 |
| DL-p-Chlorophenylalanine methyl ester hydrochloride | 1.1636 | 0.9926 | 0.8816 | 1.0384 |
| Dmap-ethyl-paf | 0.8427 | 1.1054 | 0.9404 | 1.0479 |
| Dodecanol | 1.1135 | 0.9004 | 1.0345 | 1.0452 |
| Dopamine | 1.0064 | 1.0079 | 0.9685 | 1.0335 |
| Doxazosin | 1.6532 | 0.7403 | NA | 0.8217 |
| (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one | 1.1131 | 0.8592 | 1.1451 | 0.9345 |
| Ecklonialactone A | 0.9668 | 1.0143 | 0.9846 | 1.0369 |
| Eicosapentaenoic acid | 0.4640 | 0.7938 | 1.6200 | 1.0246 |
| Enalaprilat | 1.2745 | 1.4009 | 0.2779 | 1.0091 |
| Epigoitrin | 0.5947 | 0.8588 | 1.4289 | 1.0592 |
| Epinepetalactone | 0.5548 | 1.2533 | 0.9434 | 1.0314 |
| Epothilone D | 2.6413 | 0.8244 | 0.1448 | 0.9902 |
| Epoxyeremopetasinorol | 0.2355 | 0.6862 | 1.9159 | 1.0244 |
| Epsilon-Caprolactam | 1.0757 | 1.0088 | 0.9316 | 1.0124 |
| Epsilon-(Carboxymethyl)lysine | 0.9801 | 1.2169 | 0.7196 | 1.0089 |
| Eremopetasidione | 0.1545 | 0.3372 | 2.5590 | 0.7768 |
| Eremopetasinorol | 0.1566 | 0.2395 | 2.6502 | 0.8522 |
| Estradiol-17alpha 3-D-glucuronoside | 1.6630 | 1.3689 | 0.0259 | 1.0804 |
| Etaspirene | 0.2070 | 0.5693 | 2.1226 | 0.9607 |
| Ethyl 3-hydroxydodecanoate | 1.1301 | 0.9719 | 0.9205 | 1.0604 |
| Ethyl hydrogen fumarate | 1.0358 | 1.0197 | 0.9403 | 1.0191 |
| Etiracetam | 0.9660 | 1.1046 | 0.8682 | 1.0302 |
| Eugenol | 0.4768 | 0.7239 | 1.7211 | 0.9916 |
| Euscaphic acid | 0.8451 | 0.9390 | 1.1758 | 1.0176 |
| Fagomine | 1.0424 | 1.0187 | 0.9782 | 0.9371 |
| FAHFA(16:0/10-O-18:0) | 1.1439 | 1.0461 | 0.9984 | 0.6883 |
| Farnesyl acetone | 0.8963 | 0.9675 | 1.1175 | 0.9900 |
| Fasciculic Acid B | NA | 0.3027 | 1.8975 | 0.5995 |
| Fasciculol C | 0.2295 | 1.0318 | 1.4786 | 0.9854 |
| Fasoracetam | 0.9391 | 1.1975 | 0.7462 | 1.0620 |
| Fluocinolone | 0.0621 | 0.2274 | 2.7777 | 0.7552 |
| Furfural | 0.3869 | 0.7268 | 1.7634 | 1.0193 |
| Galactopinitol A | 1.0354 | 0.9196 | 1.1037 | 0.9598 |
| Gamma-Glu-leu | 1.2808 | 1.3547 | 0.2882 | 1.1035 |
| Ganodermic acid TQ | 1.1033 | 1.3351 | 0.4445 | 1.0796 |
| Geranylcitronellol | 1.0416 | 0.8381 | 1.1899 | 0.9964 |
| Germacrene D | NA | 0.0258 | 1.4773 | 0.3700 |
| Germacrone | 0.8324 | 1.0109 | 1.1062 | 0.9820 |
| Gibberellin A19 | 1.0109 | 1.1824 | 0.7238 | 1.0516 |
| Gibberellin A8-catabolite | 0.3960 | 1.0095 | 1.4021 | 0.9759 |
| Ginsenoside C-K | 0.4638 | 0.7715 | 1.6653 | 0.9935 |
| Ginsenoside Re | 0.4028 | 0.8307 | 1.5072 | 1.2334 |
| Ginsenoside Rg1 | 0.1923 | 0.7440 | 1.7813 | 1.1972 |
| Ginsenoside Rg3 | 0.1938 | 0.5585 | 2.1605 | 0.9312 |
| Ginsenoside Rg5 | 0.2312 | 0.6770 | 1.9379 | 1.0104 |
| Ginsenoside Rh3 | 0.2706 | 0.6659 | 1.9431 | 0.9774 |
| Ginsenoside Rh7 | 0.0110 | 0.2695 | 2.2414 | 0.7950 |
| Ginsenoside Rk1 | 0.0582 | 0.1872 | 2.3845 | 0.4844 |
| Glabric acid | 0.9403 | 1.5092 | 0.2844 | 1.1529 |
| Gliocladic Acid | 0.3371 | 0.6778 | 1.8676 | 1.0078 |
| Glucomannan | 0.1524 | 0.5104 | 2.1537 | 0.9651 |
| Gluconolactone | 0.8960 | 0.7586 | 1.4090 | 0.9645 |
| Glycyl-leucine | 0.4880 | 0.6260 | 1.8670 | 0.9460 |
| Glycylleucine | 1.0082 | 1.0980 | 0.8319 | 1.0639 |
| Glycyrrhetinic acid | 0.2766 | 0.8423 | 1.6674 | 1.0502 |
| Gonal | 1.1180 | 0.8306 | 1.1396 | 1.0152 |
| Guanine | 0.8178 | 1.0441 | 1.0494 | 1.0266 |
| Guanosine | 0.9629 | 1.0071 | 1.0016 | 1.0275 |
| Hebevinoside IV | 0.0885 | 0.3420 | 2.6565 | 0.6568 |
| Helinorbisabone | 0.4619 | 1.0140 | 1.3455 | 0.9891 |
| Hexadeca-7,10,13-trienoic acid | 0.4894 | 0.7866 | 1.6348 | 0.9802 |
| Hexenal | 1.0219 | 1.0281 | 0.9491 | 0.9977 |
| Histidylglutamine | 0.8814 | 1.0899 | 0.9408 | 1.0366 |
| Histidylleucine | 1.2743 | 1.2418 | NA | 0.4731 |
| Homodihydrojasmone | 1.0502 | 0.8351 | 1.1877 | 0.9972 |
| Hovenine A | 2.8868 | 0.8264 | 0.0679 | 0.8114 |
| Hypoxanthine | 0.7306 | 0.8083 | 1.4594 | 0.9517 |
| Ibuprofen | 0.2322 | 0.3981 | 2.2843 | 1.0602 |
| Icofungipen | 0.9824 | 1.0770 | 0.9075 | 1.0030 |
| Ifosfamide | 1.2328 | 1.0281 | 0.7827 | 1.0491 |
| Ile Ala | 1.1338 | 1.2131 | 0.5951 | 1.0630 |
| Ile Ile | 1.1061 | 1.2043 | 0.6160 | 1.0818 |
| Ile Leu | 1.0891 | 1.2011 | 0.6222 | 1.1007 |
| Ile Phe | 1.2125 | 1.2603 | 0.4690 | 1.0847 |
| Ile Ser | 0.7459 | 1.0436 | 1.0880 | 1.0466 |
| Ile Val | 1.0476 | 1.1888 | 0.6789 | 1.0755 |
| Imidazolone A | 0.9982 | 1.0617 | 0.9084 | 1.0211 |
| Indole | 1.0627 | 1.0408 | 0.9121 | 0.9833 |
| Indole-3-Carboxaldehyde | 1.0262 | 1.0271 | 0.9291 | 1.0346 |
| Indoleacrylic acid | 0.5147 | 0.6812 | 1.7738 | 0.9496 |
| Isocolumbin | 2.0672 | 0.9971 | 0.3127 | 0.9594 |
| Isocyperol | 0.3219 | 0.7060 | 1.8569 | 0.9743 |
| Isoketocamphoric acid | 0.4405 | 0.4275 | 0.4358 | 4.4010 |
| Isokobusone | 0.1608 | 0.6096 | 2.0684 | 1.0231 |
| Isoleucylproline | 1.2574 | 1.1169 | 0.6517 | 1.0418 |
| Isolubimin | 1.1464 | 1.2034 | 0.5539 | 1.1546 |
| Isopentyl beta-D-glucoside | 0.9910 | 1.1606 | 0.7808 | 1.0221 |
| Isophorone | 1.0018 | 1.0908 | 0.9434 | 0.8687 |
| Jacarandic acid | 0.4314 | 0.9884 | 1.4102 | 0.9686 |
| Jasmolone | 1.0131 | 1.0044 | 0.9914 | 0.9878 |
| Kanzonol O | 1.2253 | 1.0623 | NA | 0.5336 |
| KAPA | 1.0721 | 1.1531 | 0.7252 | 1.0453 |
| Kievitone | 2.3291 | 1.0230 | 0.0629 | 1.0407 |
| Kioukasin A | 0.0705 | NA | 0.0694 | 1.6200 |
| Lactitol | 0.1686 | 0.5686 | 2.1481 | 0.9628 |
| Lactose | 1.0196 | 1.0232 | 0.9693 | 0.9733 |
| L-Alanine | 1.0019 | 0.9760 | 1.0338 | 0.9941 |
| Lappaol C | 1.7358 | 0.7466 | NA | 0.6947 |
| L-Asparagine | 0.7861 | 0.9192 | 1.2863 | 0.9280 |
| Lauryldiethanolamine | 0.9710 | 0.9130 | 1.1296 | 1.0114 |
| L-Carnitine | 0.9279 | 1.1446 | 0.8591 | 0.9925 |
| Leucylleucine | 1.0654 | 1.2069 | 0.6432 | 1.0746 |
| Leucylproline | 1.3240 | 1.1434 | 0.5614 | 1.0628 |
| L-Glutamine | 1.0026 | 1.0526 | 0.8912 | 1.0740 |
| Ligustroside | 1.3531 | 1.1494 | 0.5715 | 0.9877 |
| Linalyl propionate | 1.0180 | 1.0496 | 0.8486 | 1.1465 |
| Lithocholic acid | 0.0495 | 0.4823 | 2.3524 | 0.9429 |
| Longicamphenylone | 0.5037 | 0.7207 | 1.6899 | 1.0269 |
| Lotaustralin | 0.5111 | 0.7574 | 1.6868 | 0.9252 |
| L-Serine | 0.9384 | 0.8844 | 1.2242 | 0.9419 |
| L-Threonine | 0.5715 | 0.9102 | 1.4547 | 0.9014 |
| L-Tryptophan | 0.9413 | 1.0127 | 1.0118 | 1.0207 |
| LysoPA(a-21:0/0:0) | 0.1060 | 0.6462 | 2.0109 | 0.8157 |
| LysoSM(d18:1) | 0.2326 | 0.4376 | 2.3984 | 0.7261 |
| Majoroside F1 | NA | 0.1087 | 2.1343 | 0.5140 |
| Maltol | 1.0354 | 1.0285 | 0.9281 | 1.0206 |
| Maniladiol | 0.3560 | 0.7283 | 1.7791 | 1.0252 |
| Manoalide | 1.0371 | 0.9765 | 1.0116 | 0.9899 |
| Manoyl oxide | 1.0996 | 0.7675 | 1.3038 | 0.8795 |
| Marrubiin | 0.9792 | 1.3036 | 0.5930 | 1.0323 |
| Matricin | 0.0771 | 0.1882 | 2.3249 | 0.8227 |
| Melledonal A | 0.6370 | 1.3772 | NA | 0.4782 |
| Metabolite B | 0.1238 | 0.3866 | 2.5007 | 0.8026 |
| Methylguanidine | 1.3156 | 1.0912 | 0.6674 | 1.0012 |
| Methyl Jasmonate | 0.3926 | 0.5290 | 1.9897 | 1.0864 |
| Mexiletine | 0.4725 | 0.7707 | 1.6396 | 1.0354 |
| MG(0:0/18:1(12Z)-O(9S,10R)/0:0) | 0.8912 | 0.9633 | 1.1427 | 0.9575 |
| MG(i-24:0/0:0/0:0) | 0.3171 | 0.6357 | 2.0585 | 0.7651 |
| Milbemycin beta2 | 1.3070 | 1.2830 | NA | 0.4020 |
| MJDBISSP00000001 | 1.0667 | 1.0500 | 0.8885 | 1.0008 |
| MJDBISSP00000002 | 1.0568 | 1.1300 | 0.7643 | 1.0491 |
| MJDBISSP00000009 | 0.9948 | 1.0416 | 0.8929 | 1.1103 |
| Mogrol | 0.0292 | 0.1477 | 2.9155 | 0.7362 |
| Momorcharaside A | NA | 0.1344 | 2.0898 | 0.5516 |
| Momorcharaside B | NA | 0.0832 | 1.9942 | 0.2340 |
| Momordicoside C | 0.0083 | 0.3761 | 2.2355 | 0.7685 |
| Momordicoside D | 0.1745 | 0.5390 | 2.1796 | 0.9708 |
| Murrayenol | 0.3774 | 0.8890 | 1.5550 | 1.0159 |
| M-Xylene | 0.8581 | 0.9075 | 1.2025 | 1.0308 |
| Mycorradicin | 0.4000 | 1.0273 | 1.3835 | 0.9602 |
| Myotoxin A | 1.2970 | 1.0027 | NA | 0.5968 |
| Myristic acid | 1.0211 | 0.9483 | 1.0011 | 1.1075 |
| Myristoleic acid | 0.5815 | 0.6781 | 1.6944 | 1.0275 |
| N-(1-Hydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide | NA | 0.1836 | 2.0813 | 0.4703 |
| N2-Acetyl-L-ornithine | 0.9065 | 1.1229 | 0.9342 | 0.9286 |
| N-Acetyl-D-galactosamine | 0.8376 | 0.8510 | 1.2992 | 1.0154 |
| N-Acetyl-D-mannosamine | 1.0441 | 1.0521 | 0.8987 | 1.0049 |
| N-Docosahexaenoyl Asparagine | 0.8867 | 1.4994 | 0.1294 | 0.9801 |
| Neoliquiritin 2^^-apioside | 1.2467 | 1.0498 | 0.7476 | 1.0431 |
| N-Epsilon-Acetyl-L-Lysine | 0.8844 | 1.1435 | 0.9198 | 0.9319 |
| Niacinamide | 0.9834 | 0.9297 | 1.1456 | 0.9184 |
| NILOTICIN | 0.5214 | 0.8230 | 1.5586 | 0.9930 |
| N-Methyl-1-deoxynojirimycin | 0.9292 | 1.0922 | 0.7444 | 1.3597 |
| N-Methyl-2-pyrrolidinone | 0.8839 | 0.9187 | 1.1832 | 1.0054 |
| N-Methyl-D-Aspartic Acid | 0.2320 | 0.5609 | 2.1802 | 0.8344 |
| N,n-Bis(2-hydroxyethyl)dodecanamide | 0.2320 | 0.8114 | 1.8493 | 0.8282 |
| N,N-Dimethyldodecylamine-N-oxide | 0.9604 | 0.9290 | 1.0968 | 1.0484 |
| N,N-Dimethylsphingosine | 1.5760 | 1.1695 | 0.2319 | 1.0599 |
| N^-nitrosonornicotine | 0.9500 | 1.1424 | 0.8177 | 1.0515 |
| Norleucine | 0.9878 | 1.0920 | 0.8635 | 1.0439 |
| Norrubrofusarin 6-beta-gentiobioside | 1.2970 | 1.0156 | 0.8057 | 0.9510 |
| Norvaline | 0.9290 | 1.1476 | 0.8396 | 1.0220 |
| Notoginsenoside K | 0.4315 | 0.8612 | 1.5072 | 1.1136 |
| Notoginsenoside R9 | 0.0973 | 0.2056 | 1.5303 | 0.2577 |
| N-Palmitoyl Cysteine | 0.0623 | 0.3148 | 2.5166 | 0.8158 |
| N-Stearoyl Valine | 0.9570 | 0.9586 | 1.0778 | 1.0119 |
| Nuatigenin | 0.9761 | 0.9829 | 1.0119 | 1.0536 |
| N-Undecanoylglycine | 0.4141 | 0.7574 | 1.5875 | 1.2533 |
| NX2 Toxin | 0.0447 | 0.0451 | 1.7817 | 0.3918 |
| Octadecanamide | 1.2886 | 1.0521 | 0.7015 | 1.0732 |
| Octylamine | 1.0180 | 1.0265 | 0.9457 | 1.0139 |
| Oleamide | 1.0823 | 0.8862 | 1.1095 | 0.9747 |
| Oleanolic Acid | 0.5934 | 0.9476 | 1.3463 | 0.9894 |
| Oleanolic aldehyde | 0.2484 | 0.6254 | 1.9871 | 1.0269 |
| Oleic acid | 0.2220 | 0.5645 | 2.1853 | 0.8281 |
| Olpadronic acid | 1.0206 | 1.0252 | 0.9233 | 1.0587 |
| Orcinol | 0.0529 | 2.3034 | 0.0748 | 1.0720 |
| Ornidazole | 0.9520 | 0.9467 | 1.0913 | 1.0235 |
| O-Toluidine | 1.0104 | 0.9960 | 0.9996 | 0.9976 |
| Oxymetholone | 1.0579 | 1.0348 | 0.8521 | 1.1256 |
| PA(20:3(8Z,11Z,14Z)/15:0) | 1.2803 | 0.6698 | 1.2654 | 0.9760 |
| PA(a-15:0/PGF1alpha) | 1.0238 | 1.0363 | 0.9268 | 1.0178 |
| Palitantin, (+)- | 0.4712 | 0.7261 | 1.7339 | 0.9677 |
| Palmitic amide | 1.1280 | 0.9306 | 1.0110 | 0.9924 |
| Pantothenic Acid | 0.7043 | 0.9831 | 1.2075 | 1.0241 |
| Parasorbic acid | 0.2784 | 0.7393 | 1.8241 | 1.0092 |
| PA(TXB2/20:3(8Z,11Z,14Z)) | 0.4249 | 0.7071 | 1.8142 | 0.9195 |
| P-Benzosemiquinone | 0.1855 | 0.3347 | 2.4516 | 0.9568 |
| P-CHLOROPHENYLALANINE | 1.0688 | 1.0445 | 0.8956 | 0.9984 |
| P-Coumaric Acid | 1.0964 | 1.1879 | 0.6666 | 1.0373 |
| P-Cymene | 0.9959 | 1.0432 | 0.9595 | 0.9714 |
| Pentaethylene glycol | 0.9726 | 1.1465 | 0.8152 | 1.0154 |
| Pentamethylchromanol | 0.4194 | 0.7628 | 1.6993 | 1.0081 |
| PG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) | 0.9955 | 1.0102 | 0.9695 | 1.0399 |
| Phe Gly | 1.0911 | 1.2319 | 0.5840 | 1.0924 |
| Phe Ile | 1.1891 | 1.3259 | 0.4289 | 1.0208 |
| Phenylacetic acid | 1.1034 | 1.1793 | 0.6863 | 1.0116 |
| Phenylacetylglycine | 1.0036 | 1.5534 | 0.2487 | 1.0220 |
| Phe Val | 1.1594 | 1.3452 | 0.4239 | 1.0191 |
| Pinolidoxin | 1.7792 | 1.1546 | 0.3173 | 0.9143 |
| Piperidine | 1.0204 | 1.0245 | 0.9418 | 1.0238 |
| Polidocanol | 1.0272 | 1.0938 | 0.8397 | 1.0343 |
| Polyethylene, oxidized | 0.3666 | 1.7939 | 0.3080 | 1.1114 |
| Polyoxyethylene 40 monostearate | 0.9895 | 0.8074 | 1.2793 | 0.9691 |
| Porphobilinogen | 1.1832 | 1.3099 | 0.4399 | 1.0496 |
| Prenalterol | 1.7151 | 1.6772 | 0.0260 | 0.5691 |
| Proazulene | 0.0509 | 0.1287 | 2.8904 | 0.8081 |
| Prostaglandin A2 | 0.9737 | 1.5318 | 0.1322 | 1.0634 |
| Protopanaxatriol | 0.3647 | 0.7366 | 1.8064 | 0.9366 |
| PS(18:1(9Z)/15:0) | 1.1495 | 0.9712 | 0.9278 | 1.0219 |
| PS(22:2(13Z,16Z)/15:0) | 1.7741 | 1.3501 | 0.0784 | 0.8775 |
| Pseudouridine | 0.7427 | 0.9102 | 1.3455 | 0.8916 |
| Psilostachyin | 1.1353 | 0.8857 | 1.0461 | 1.0320 |
| Psoralen | 0.2964 | 0.2254 | 2.3840 | 0.7666 |
| P-Tolualdehyde | 1.0590 | 0.9541 | 1.0151 | 1.0135 |
| Pubesenolide | 0.9902 | 0.8290 | 1.2315 | 1.0061 |
| Putrescine | 1.1775 | 1.0500 | 0.7981 | 1.0338 |
| Pyridoxal | 1.0270 | 0.9855 | 1.0248 | 0.9530 |
| Pyroglutamic Acid | 0.7085 | 0.8432 | 1.4282 | 0.9506 |
| Pyrroline | 1.2117 | 1.0132 | 0.8279 | 1.0268 |
| Quinquenoside F1 | 0.1932 | 0.4877 | 2.2294 | 0.9831 |
| (R)-3-Hydroxy-5-phenylpentanoic acid | 0.3976 | 1.0291 | 1.4060 | 0.9137 |
| (R)-Apiumetin | 0.2522 | 0.9387 | 1.6384 | 0.8836 |
| Resolvin E1 | 1.1029 | 1.4463 | 0.3052 | 1.0623 |
| Rimantadine | 0.8292 | 1.2455 | 0.8380 | 0.8972 |
| Risbitin | 0.7324 | 0.9523 | 1.2443 | 0.9955 |
| Rubschisandrin | 1.3626 | 1.2355 | 0.4820 | 0.9246 |
| Ruscogenin | 0.0706 | 0.8165 | 1.7524 | 0.8530 |
| S-(2-Carboxyethyl)-L-cysteine | 1.0633 | 1.2074 | 0.6199 | 1.1226 |
| Sanchinoside B1 | 0.2532 | 0.8884 | 1.5871 | 1.1192 |
| Schisandrin B | 1.9911 | 1.2360 | 0.0143 | 1.0205 |
| Schisantherin B | 1.2464 | 0.9603 | NA | 0.7773 |
| Schizandrin | 2.2404 | 1.0750 | 0.1289 | 0.8884 |
| Sclareol oxide | 1.1076 | 0.8571 | 1.1242 | 0.9892 |
| Secalciferol | 0.1513 | 0.5349 | 2.1360 | 1.0999 |
| Shikimic acid | 0.8550 | 0.9593 | 1.1780 | 0.9458 |
| Sinapic Acid | 0.3049 | 0.6183 | 2.0056 | 0.9334 |
| (S)-Mandelic acid O-beta-D-Glucopyranoside | 0.1287 | 0.1673 | 1.7927 | 0.5378 |
| Solutol HS 15 | 0.5635 | 0.8689 | 1.3617 | 1.2080 |
| Sophoradiol | 0.3337 | 0.6505 | 1.9448 | 0.9309 |
| Soyasapogenol B | 0.2732 | 0.6354 | 1.9580 | 1.0252 |
| Soyasapogenol B 24-O-b-D-glucoside | 0.1194 | 0.5580 | 2.2047 | 0.9435 |
| Soyasapogenol C | 0.3444 | 0.7052 | 1.8535 | 0.9535 |
| Soyasapogenol E | 0.0034 | 0.3175 | 2.0168 | 0.6637 |
| Soyasapogenol F | 0.5946 | 0.8105 | 1.5221 | 1.0015 |
| (S)-(-)-Perillyl alcohol | 0.9260 | 1.1710 | 0.7864 | 1.0700 |
| Spirolide E | 0.9924 | 1.0383 | 0.9182 | 1.0714 |
| Spirotaccagenin | 0.2706 | 0.6149 | 2.0267 | 0.9459 |
| (S,S)-Butane-2,3-diol | 0.9841 | 1.0278 | 0.9435 | 1.0600 |
| Stachyose | 0.9632 | 0.9682 | 1.1087 | 0.9164 |
| Sterol | 0.8909 | 1.5436 | 0.3155 | 1.0648 |
| Styrene | 0.8985 | 0.9387 | 1.1432 | 1.0124 |
| Sucrose | 0.9116 | 1.0000 | 1.0868 | 0.9444 |
| Swainsonine | 1.0219 | 1.0761 | 0.8598 | 1.0484 |
| Tanacetol A | 0.7221 | 1.5688 | 0.4000 | 1.0537 |
| Tebupirimfos | NA | NA | 0.0464 | 1.3179 |
| Tetracosahexaenoic acid | 0.0163 | 0.4309 | 2.4528 | 0.9237 |
| Tetracosahexaenoic acid, n-3 | NA | 0.1188 | 1.7988 | 0.2836 |
| Tetraethylene Glycol Monododecyl Ether | 0.9539 | 1.1632 | 0.8047 | 1.0169 |
| Thr Phe | 1.3186 | 1.2750 | 0.4702 | 0.9015 |
| Thymidine | 0.8655 | 1.1024 | 1.0504 | 0.8055 |
| Trans-2-Hexenal | 0.9817 | 1.0455 | 0.9385 | 1.0262 |
| Trans-4-Aminocyclohexanecarboxylic acid | 1.0018 | 1.0638 | 0.9104 | 1.0066 |
| Trans-Cinnamic acid | 0.9253 | 1.0584 | 0.9639 | 1.0161 |
| Trans-EKODE-(E)-Ib | 0.9807 | 0.9645 | 1.0611 | 0.9982 |
| Trans-p-Menthane-1,7,8-triol 8-glucoside | NA | 0.0351 | 1.5126 | 0.2965 |
| Traumatic acid | 0.9184 | 1.1150 | 0.9355 | 0.9313 |
| Traumatin | 1.0666 | 0.9110 | 1.0705 | 1.0075 |
| Tridihexethyl | 1.2285 | 1.4388 | 0.2766 | 0.9721 |
| Trigonelline | 1.3438 | 0.8507 | 0.9467 | 1.0462 |
| Triisopropanolamine | 1.0595 | 1.0235 | 0.9209 | 1.0161 |
| Trimethoprim | 1.1521 | 1.0426 | 0.8351 | 1.0134 |
| Tsugaric acid A 21-glucosyl ester | 0.1665 | 0.6078 | 2.1138 | 0.9297 |
| Tuliposide A | 0.6625 | 0.7808 | 1.5395 | 0.9556 |
| Typhasterol | 0.9380 | 1.4928 | 0.2390 | 1.2905 |
| Uracil | 0.8560 | 0.9642 | 1.1511 | 0.9855 |
| Ursodeoxycholic acid | 0.4145 | 0.8217 | 1.6132 | 1.0300 |
| Ursolic acid | 0.0089 | 0.2960 | 2.1941 | 0.6806 |
| Val Ile | 1.0298 | 1.2240 | 0.6629 | 1.0373 |
| Val Leu | 1.0714 | 1.2157 | 0.6397 | 1.0502 |
| Val Val | 0.9727 | 1.2345 | 0.6864 | 1.0383 |
| Vanilloylglycine | 0.4347 | 0.4588 | 1.8329 | 0.7935 |
| Vanillylamine | 1.0356 | 0.9609 | 1.0096 | 1.0376 |
| Vinylcyclohexene | 0.2780 | 0.6564 | 1.9608 | 0.9573 |
| Vomifoliol | 0.3289 | 0.4731 | 2.1782 | 0.9434 |
| Walleminone | 0.9752 | 0.9648 | 1.0683 | 0.9904 |
| Xanthine | 0.8463 | 0.8223 | 1.3547 | 0.9695 |
| Xenognosin A | NA | 0.0546 | 1.4864 | 0.3424 |
| XI-Dihydro-2-methyl-3(2H)-thiophenone | 2.0301 | 0.9093 | 0.3763 | 1.1157 |
| Xyloketal | NA | 0.2309 | 2.0035 | 0.5311 |
| (+/-)-(Z)-2-(5-Tetradecenyl)cyclobutanone | 1.0839 | 0.8854 | 1.1128 | 0.9680 |
| (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one | 0.5957 | 0.7808 | 1.5766 | 0.9705 |
| (Z)-4-Hydroxy-6-dodecenoic acid lactone | 0.7886 | 0.9125 | 1.2450 | 1.0253 |
| (Z)-9-Cycloheptadecen-1-one | 1.0684 | 0.8726 | 1.1675 | 0.9135 |
| Zearalanone | 1.2177 | 0.9199 | 0.9643 | 0.9946 |
| (Z)-Farnesol | 1.0498 | 0.8673 | 1.1372 | 1.0130 |
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 |