Data for (Study ST004406)
(Analysis AN007367)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 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|
| 1,1-Dimethylurea | 1.3064 | 0.7754 | 0.6612 | 0.7649 | 0.4121 | 1.1128 | 1.2035 | 1.1966 | 1.4166 | 1.1505 |
| 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | 0.6486 | 0.7865 | 0.7413 | 0.7759 | 0.6700 | 1.1664 | 1.0631 | 1.4187 | 1.2447 | 1.4848 |
| 1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine | 0.0742 | 0.0689 | 0.1038 | 0.0572 | 0.0214 | 2.3007 | 1.3213 | 1.4663 | 1.8862 | 2.7000 |
| 1-(2,4-Dinitroanilino)-1H-pyrrole-2,5-dione | 0.1562 | 0.3227 | 0.2358 | 0.4395 | 0.2176 | 2.2415 | 1.3343 | 1.2209 | 1.7229 | 2.1086 |
| 12^-Apo-b-carotene-3,12^-diol | 0.2765 | 0.7170 | 0.2951 | 0.2380 | 0.3050 | 1.6230 | 2.2359 | 1.7324 | 1.5111 | 1.0660 |
| 12^-Apozeaxanthin | 0.7284 | 2.0432 | 1.5741 | 1.2046 | 0.3777 | 0.9931 | 1.0215 | 0.7691 | 0.5433 | 0.5268 |
| 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine | 1.3041 | 0.5274 | 1.1170 | 0.9125 | 0.4828 | 0.9612 | 1.2386 | 1.4001 | 1.3735 | 0.6828 |
| 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine | 2.0960 | 1.1506 | 1.3500 | 2.6156 | 1.1506 | 0.3978 | 0.3187 | 0.3098 | 0.3375 | 0.2735 |
| 1-(3,4-Dichlorophenyl)pyrrolidine | 1.4602 | 1.4766 | 1.6458 | 1.6944 | 1.4740 | 0.2556 | 0.5255 | 0.5432 | 0.4563 | 0.4683 |
| 1,3-Dimethylbarbituric acid | 0.9759 | 0.9068 | 1.9319 | 1.1099 | 1.2050 | 0.6400 | 1.1098 | 1.0690 | 0.4323 | 0.6194 |
| 1,3-Dimethyluric acid | 0.9081 | 0.1050 | 0.1497 | 0.7195 | 1.6920 | 1.5060 | 0.6219 | 0.4536 | 1.6837 | 2.1605 |
| 1,3-Oxazinan-2-imine | 0.4543 | 1.2191 | 0.7623 | 1.6059 | 1.8151 | 0.7159 | 0.7739 | 0.8776 | 1.0467 | 0.7291 |
| 1,4-Dibutyl benzene-1,4-dicarboxylate | 0.4947 | 0.5050 | 0.5693 | 0.6284 | 0.5424 | 1.3618 | 1.3923 | 1.4996 | 1.5618 | 1.4448 |
| 16-Oxokahweol | 0.9018 | 0.0909 | 0.1265 | 1.7919 | 3.3572 | 0.7529 | 0.8860 | 0.9449 | 0.5600 | 0.4411 |
| 1,7-Dioxa-4,10-diazacyclododecane | 0.2300 | 0.5204 | 0.6011 | 0.7071 | 0.2092 | 1.7414 | 2.1636 | 1.8414 | 1.0252 | 0.9604 |
| 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine | 0.4422 | 0.3446 | 0.3847 | 0.8943 | 0.4822 | 1.2443 | 1.3550 | 1.6725 | 1.6327 | 1.5474 |
| 1-(Cyclohexylmethyl)proline | 1.5194 | 1.7048 | 2.1188 | 1.9356 | 1.6058 | 0.2746 | 0.2567 | 0.1872 | 0.2305 | 0.1667 |
| 1-Docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine | 0.1393 | 0.1922 | 0.3067 | 0.1743 | 0.1985 | 0.2809 | 1.9922 | 3.5975 | 2.8576 | 0.2608 |
| 1-Dodecyl-2-pyrrolidinone | 0.6115 | 1.5839 | 1.6225 | 1.4649 | 2.9820 | 0.3744 | 0.2217 | 0.1152 | 0.4640 | 0.4125 |
| 1-Hexadecylamine | 0.5898 | 2.1247 | 1.9311 | 1.9004 | 2.3395 | 0.2218 | 0.2622 | 0.2174 | 0.2078 | 0.2054 |
| 1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]- | 0.1371 | 0.1744 | 0.1736 | 0.2237 | 0.0879 | 2.1281 | 1.4681 | 1.2722 | 2.0505 | 2.2844 |
| 1H-Pyrazolo[3,4-b]pyridine | 1.4619 | 0.3510 | 0.4810 | 1.7748 | 4.0433 | 0.2337 | 0.2645 | 0.2156 | 0.5578 | 0.6164 |
| 1H-Pyrrole-2,5-dione, 1-[6-[[(17.beta.)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]- | 1.9428 | 0.7503 | 0.9057 | 0.9238 | 5.3767 | 0.0181 | 0.0166 | 0.0130 | 0.0361 | 0.0170 |
| 1-Hydroxy Vitamin D2 | 1.3363 | 1.2293 | 1.4753 | 0.9604 | 2.1787 | 0.6006 | 0.8344 | 0.7325 | 0.4683 | 0.1842 |
| 1-Isobutyl-1H-pyrazol-5-ylamine | 1.5421 | 1.0836 | 0.9298 | 1.7041 | 1.9708 | 0.7195 | 0.3300 | 0.6021 | 0.5451 | 0.5729 |
| 1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine | 0.1541 | 0.1541 | 0.2010 | 0.4155 | 0.1741 | 1.4592 | 1.7799 | 2.0619 | 1.7941 | 1.8062 |
| 1-Methylguanine | 0.5583 | 1.7342 | 1.8509 | 1.7733 | 1.1421 | 0.4450 | 0.8396 | 0.7575 | 0.5101 | 0.3891 |
| 1-Methylguanosine | 0.5468 | 1.3251 | 1.5734 | 2.7435 | 1.4918 | 0.6441 | 0.3705 | 0.3779 | 0.4378 | 0.4891 |
| 1-Methylhistamine | 1.0932 | 2.0159 | 3.1346 | 2.5134 | 0.6149 | 0.1717 | 0.1444 | 0.1091 | 0.0904 | 0.1124 |
| 1-Methylinosine | 0.3750 | 1.1446 | 1.1673 | 1.4707 | 0.7544 | 0.7878 | 1.2150 | 1.5448 | 0.8750 | 0.6654 |
| 1-Methylnicotinamide | 0.5902 | 1.8384 | 1.3229 | 1.4114 | 0.8191 | 0.3100 | 1.3236 | 1.3157 | 0.6793 | 0.3895 |
| 1-Methylpseudouridine | 1.5420 | 2.1287 | 1.1135 | 1.1792 | 1.7630 | 0.3045 | 0.5917 | 0.6535 | 0.4406 | 0.2834 |
| 1-Methylpyrrolidine | 1.7383 | 1.0528 | 0.7736 | 1.0620 | 1.4331 | 0.7502 | 0.8294 | 0.9136 | 0.7659 | 0.6811 |
| 1-Octadecylamine | 0.5520 | 1.9427 | 1.7553 | 1.4907 | 2.6651 | 0.3015 | 0.3844 | 0.2833 | 0.3224 | 0.3027 |
| 1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine | 0.7715 | 0.7908 | 1.0041 | 1.9385 | 0.7828 | 1.0209 | 0.6884 | 0.8427 | 1.1906 | 0.9697 |
| 1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine | 1.0153 | 1.1004 | 1.2935 | 1.1213 | 1.0291 | 0.8685 | 0.7862 | 0.8807 | 0.8422 | 1.0629 |
| 1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine | 0.0454 | 0.0611 | 0.1200 | 0.0561 | 0.0263 | 2.3239 | 1.4360 | 1.6864 | 2.1216 | 2.1234 |
| 1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine | 1.4688 | 2.1936 | 2.3907 | 2.5576 | 1.3694 | 0.0022 | 0.0022 | 0.0082 | 0.0036 | 0.0037 |
| 1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0)) | 1.8968 | 0.1759 | 0.3059 | 0.4601 | 5.7172 | 0.2682 | 0.2493 | 0.2687 | 0.2959 | 0.3621 |
| 1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine | 0.6895 | 0.3136 | 0.3155 | 1.0318 | 0.3587 | 1.6954 | 1.4021 | 1.3174 | 1.6209 | 1.2551 |
| 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine | 0.0058 | 0.0041 | 0.0066 | 0.0085 | 0.0041 | 1.2106 | 3.0197 | 2.9065 | 1.7471 | 1.0871 |
| 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 1.7010 | 1.9333 | 2.0997 | 2.0741 | 2.0252 |
| 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine | 0.7599 | 0.4337 | 1.5026 | 0.5141 | 0.3226 | 1.4287 | 0.9275 | 0.8997 | 1.5848 | 1.6264 |
| 1-Palmitoyllysophosphatidate | 0.8583 | 0.3707 | 0.4608 | 0.7657 | 0.7213 | 1.6100 | 1.3318 | 1.1602 | 1.1528 | 1.4634 |
| 1-Phenylpyrrolidine | 1.5204 | 1.6910 | 1.5395 | 1.7509 | 1.8284 | 0.3434 | 0.2724 | 0.3257 | 0.3601 | 0.3681 |
| 1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide | 0.9136 | 0.7670 | 0.8889 | 1.3480 | 3.1661 | 0.5412 | 0.3335 | 0.3697 | 1.2392 | 0.4328 |
| 1-Stearoylglycerophosphoserine | 1.3593 | 1.4746 | 2.2657 | 2.5343 | 2.1710 | 0.0351 | 0.0335 | 0.0251 | 0.0452 | 0.0562 |
| 2,2^-(2-Hydroxyethylazanediyl)diacetic acid | 0.5018 | 0.3619 | 0.4115 | 0.4296 | 0.3706 | 1.8976 | 1.2099 | 1.0229 | 1.5357 | 2.2584 |
| 2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methyl-4(3H)-pyrimidinone | 0.5743 | 2.2163 | 2.7320 | 2.5178 | 0.9020 | 0.1845 | 0.0989 | 0.0973 | 0.4445 | 0.2324 |
| 2-(2^,3^,4^-Trihydroxybutyl)quinoxaline | 0.0944 | 0.2670 | 0.1750 | 0.3270 | 0.0711 | 3.4479 | 0.9715 | 0.3669 | 1.9606 | 2.3186 |
| 2-(2,6-Dimethylmorpholin-4-yl)ethanol | 0.0248 | 0.0472 | 0.0511 | 0.0416 | 0.0351 | 1.9231 | 1.6231 | 1.4219 | 1.6580 | 3.1742 |
| (22E,24R)-Stigmasta-4,22-diene-3,6-dione | 0.9553 | 1.5701 | 1.2994 | 0.8170 | 1.1095 | 0.4129 | 1.5098 | 1.2929 | 0.6891 | 0.3441 |
| 2-(2-Methoxyethoxy)ethanamine | 1.3189 | 0.9433 | 1.1092 | 0.9453 | 1.5740 | 0.9199 | 0.6368 | 0.6615 | 0.9702 | 0.9208 |
| 2-(2-Naphthyl)-1,3-benzoxazol-5-amine | 1.4472 | 1.3158 | 1.2188 | 1.2601 | 1.2932 | 0.3241 | 0.7760 | 1.1732 | 0.5948 | 0.5968 |
| 2-(3-Bromophenyl)-1H-benzimidazole | 1.9370 | 1.7076 | 1.6847 | 1.6331 | 1.6444 | 0.3763 | 0.1723 | 0.1997 | 0.2969 | 0.3478 |
| 2-(3-Pyridinyl)-1H-indole-3-carbaldehyde | 1.9964 | 0.5561 | 0.5933 | 0.5184 | 1.8628 | 1.0563 | 0.6170 | 0.6482 | 0.9872 | 1.1644 |
| 2-(4-Amino-1-piperidinyl)acetamide | 0.4607 | 2.2068 | 2.6835 | 3.2609 | 1.1252 | 0.0356 | 0.0819 | 0.0542 | 0.0489 | 0.0423 |
| 2^,4^-Dihydroxyacetophenone | 0.9639 | 1.2668 | 1.1926 | 1.1413 | 0.6876 | 1.2618 | 0.7685 | 0.5314 | 1.0119 | 1.1742 |
| 2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol | 0.5503 | 1.8417 | 1.9889 | 1.4965 | 1.4532 | 0.4255 | 0.7168 | 0.6587 | 0.5348 | 0.3336 |
| 2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline | 4.7024 | 0.2810 | 0.2485 | 0.6671 | 3.9558 | 0.0370 | 0.0289 | 0.0252 | 0.0333 | 0.0210 |
| 2-(4-Oxo-4H-quinazolin-3-yl)-propanoic acid | 1.0466 | 0.9683 | 0.9842 | 1.3426 | 1.0781 | 1.0726 | 0.5578 | 0.6723 | 0.6245 | 1.6529 |
| (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol_3-glucoside | 0.7709 | 0.8791 | 0.7497 | 0.7992 | 0.7893 | 1.2047 | 1.2133 | 1.2682 | 1.1355 | 1.1902 |
| 2-(5-Chloro-1,3-benzothiazol-2-yl)ethanamine | 1.0414 | 2.0995 | 1.9352 | 1.9338 | 1.6004 | 0.2474 | 0.3373 | 0.3362 | 0.2358 | 0.2330 |
| 2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one | 1.0813 | 1.3159 | 2.2959 | 1.4215 | 2.0824 | 0.6741 | 0.3190 | 0.2427 | 0.1961 | 0.3711 |
| 2-(5-Oxovaleryl)phosphatidylcholine | 1.7745 | 1.6518 | 1.6577 | 1.5621 | 1.4810 | 0.2832 | 0.4998 | 0.1716 | 0.3279 | 0.3950 |
| 26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)- | 0.3578 | 0.8759 | 0.5297 | 0.3522 | 0.6914 | 1.1306 | 2.2127 | 1.7246 | 1.3765 | 0.7487 |
| 2^,6^-Dihydroxyacetophenone | 0.9639 | 1.2668 | 1.1926 | 1.1413 | 0.6876 | 1.2618 | 0.7685 | 0.5314 | 1.0119 | 1.1742 |
| 2-Acetylthiazole | 0.9778 | 1.2249 | 1.3079 | 1.3969 | 1.3719 | 0.5144 | 0.9897 | 0.9152 | 0.8022 | 0.4992 |
| 2-Amino-6-ethyl-4(3H)-pyrimidinone | 0.5197 | 0.8613 | 0.8377 | 0.8813 | 1.2020 | 0.9734 | 1.1436 | 0.9083 | 1.3578 | 1.3149 |
| 2-Amino-6-(methylsulfanyl)-3,5-pyridinedicarbonitrile | 1.1533 | 2.3065 | 2.4707 | 2.3247 | 1.4769 | 0.0483 | 0.0029 | 0.0027 | 0.0085 | 0.0393 |
| 2-Amino-7-phenyl-7,8-dihydro-5(6H)-quinazolinone | 1.6307 | 0.1749 | 0.2602 | 0.3246 | 2.9196 | 1.1442 | 0.6871 | 0.6942 | 1.1122 | 1.0523 |
| 2-Aminoadipic acid | 1.0798 | 0.9942 | 1.1710 | 1.2774 | 1.8233 | 0.8756 | 0.6275 | 0.6237 | 0.6776 | 0.8499 |
| 2-Aminonicotinic acid | 1.1461 | 0.8723 | 0.5449 | 0.7914 | 1.3821 | 0.6139 | 2.0511 | 0.9814 | 0.5876 | 1.0291 |
| 2-Aminopurine | 1.6263 | 3.0104 | 1.1183 | 3.4477 | 0.6660 | 0.0269 | 0.0219 | 0.0257 | 0.0306 | 0.0263 |
| 2-Aminopyridine | 0.6842 | 2.0207 | 3.6784 | 1.8104 | 0.3977 | 0.2509 | 0.3039 | 0.2650 | 0.2874 | 0.3013 |
| 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid | 0.4552 | 1.1817 | 1.2124 | 1.2314 | 0.6823 | 0.7629 | 2.2576 | 0.6832 | 1.0697 | 0.4636 |
| 2-Bromoacetophenone | 1.3913 | 0.9034 | 1.1983 | 1.4058 | 2.3492 | 0.4577 | 0.6084 | 0.4659 | 0.7169 | 0.5030 |
| 2-Chloro-4-(dimethylamino)-5-fluoropyrimidine | 0.6897 | 1.7862 | 1.9212 | 1.4234 | 2.2892 | 0.2678 | 0.4578 | 0.4486 | 0.3706 | 0.3455 |
| 2-Chloro-6-fluoroquinoline-3-carbonitrile | 1.1820 | 1.9454 | 2.0148 | 2.0688 | 1.0375 | 0.3439 | 0.4041 | 0.4927 | 0.3282 | 0.1826 |
| 2-Cyano-L-phenylalanine | 0.5179 | 1.6067 | 1.8821 | 1.7817 | 1.2867 | 0.6990 | 0.3938 | 0.4528 | 0.4960 | 0.8833 |
| 2-(Diethylamino)acetic acid | 1.0193 | 1.0365 | 1.8070 | 1.5730 | 1.6132 | 0.4212 | 0.2635 | 0.9321 | 0.6777 | 0.6564 |
| 2-Docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine | 1.4892 | 1.0673 | 2.0405 | 1.0494 | 0.5211 | 0.2855 | 0.8820 | 1.6967 | 0.7139 | 0.2545 |
| 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine | 1.3143 | 1.3645 | 2.3630 | 1.9712 | 0.8161 | 0.4522 | 0.4046 | 0.2851 | 0.5687 | 0.4603 |
| 2-Dodecylbenzenesulfonic_acid | 1.3538 | 1.2155 | 1.3450 | 1.5853 | 3.5346 | 0.2380 | 0.1522 | 0.1882 | 0.1993 | 0.1881 |
| 2-Ethylbutan-1-amine | 0.7662 | 1.2075 | 1.4632 | 1.1707 | 1.3396 | 0.8367 | 0.6580 | 0.6531 | 0.8637 | 1.0413 |
| 2-Ethylpyrazine | 0.7662 | 1.1424 | 1.1860 | 0.7287 | 0.7078 | 1.4782 | 1.1558 | 1.0407 | 0.8484 | 0.9458 |
| 2-Hydroxymyristoylcarnitine | 1.0144 | 1.7502 | 2.2510 | 1.6874 | 1.2733 | 0.2073 | 0.6740 | 0.5388 | 0.4586 | 0.1450 |
| 2-Methoxybenzoic-acid | 0.9639 | 1.2668 | 1.1926 | 1.1413 | 0.6876 | 1.2618 | 0.7685 | 0.5314 | 1.0119 | 1.1742 |
| 2-Methylbenzamide oxime | 0.9247 | 1.7859 | 1.8528 | 1.8730 | 1.1956 | 0.5094 | 0.3461 | 0.3926 | 0.5405 | 0.5793 |
| 2-Methylguanosine | 0.5468 | 1.3251 | 1.5734 | 2.7435 | 1.4918 | 0.6441 | 0.3705 | 0.3779 | 0.4378 | 0.4891 |
| 2-Methylnicotinamide | 0.5130 | 0.9120 | 0.5436 | 0.3382 | 0.2595 | 1.2174 | 1.7857 | 1.9814 | 1.0436 | 1.4056 |
| 2-(Naphthalen-1-yl)-1H-1,3-benzodiazole | 1.2792 | 1.6759 | 1.9226 | 1.7283 | 2.4863 | 0.0725 | 0.2021 | 0.4103 | 0.1166 | 0.1062 |
| 2^-O-methylcytidine | 0.6946 | 0.8911 | 1.4347 | 1.7730 | 0.9393 | 0.8228 | 0.7731 | 0.7831 | 0.9909 | 0.8973 |
| 2-oxindole-3-acetate | 1.3626 | 1.8229 | 1.7222 | 2.5033 | 2.1735 | 0.0738 | 0.0858 | 0.0809 | 0.0759 | 0.0990 |
| 2-Piperazinecarboxamide | 0.5545 | 1.8333 | 2.6141 | 2.6740 | 1.0156 | 0.3497 | 0.2898 | 0.1832 | 0.1316 | 0.3541 |
| 2-Pyrimidinylacetic acid | 0.0356 | 0.1070 | 0.0546 | 0.0528 | 0.0310 | 1.7853 | 2.9917 | 1.0513 | 1.1216 | 2.7693 |
| (2R)-2-(2,5-Difluorophenyl)pyrrolidine | 0.7638 | 1.2835 | 1.5428 | 1.5750 | 2.3521 | 0.5594 | 0.4519 | 0.3939 | 0.5376 | 0.5400 |
| (2R)-3-Hydroxyisovaleroylcarnitine | 1.6716 | 1.7522 | 1.9916 | 2.1988 | 2.2564 | 0.0296 | 0.0275 | 0.0173 | 0.0307 | 0.0243 |
| (2R)-6-Oxo-2-piperidinecarboxylic acid | 0.7825 | 0.9883 | 0.7723 | 0.8551 | 1.3596 | 0.9536 | 0.9689 | 0.8179 | 1.1416 | 1.3603 |
| 2-(S-Glutathionyl)acetyl_chloride | 1.5643 | 0.6012 | 0.7585 | 0.9037 | 1.1505 | 1.1105 | 0.9284 | 0.8946 | 1.0947 | 0.9936 |
| 3-(2,6-Dimethyl-4-morpholinyl)-N-phenylpropanamide | 1.5883 | 1.5058 | 1.1155 | 1.4983 | 1.5336 | 0.5325 | 0.5789 | 0.5161 | 0.5131 | 0.6180 |
| 3(2H)-Pyridazinone, 4-chloro-5-(4-morpholinyl)- | 1.0435 | 1.4287 | 1.2173 | 1.4883 | 1.3953 | 0.5864 | 0.7600 | 0.7706 | 0.7518 | 0.5582 |
| 3,3-Dimethylcyclohexanone | 1.0559 | 0.7663 | 0.8692 | 0.8291 | 1.3991 | 0.8761 | 0.8315 | 0.8643 | 1.5779 | 0.9305 |
| 3,3-Dimethylpyrrolidin-2-one | 1.8839 | 1.2233 | 1.6451 | 1.7325 | 1.3562 | 0.4567 | 0.4517 | 0.4042 | 0.3801 | 0.4663 |
| 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 1.1631 | 0.8845 | 1.2865 | 1.1978 | 1.1279 | 0.9524 | 0.7224 | 0.8617 | 0.8030 | 1.0007 |
| [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate | 0.9853 | 1.0898 | 1.0611 | 1.1818 | 1.1896 | 0.9514 | 0.8958 | 0.7127 | 0.9997 | 0.9327 |
| 3^,4^,6-Trihydroxy-3,5,7-trimethoxyflavone | 2.1772 | 0.5691 | 0.8807 | 1.0618 | 1.7505 | 0.7898 | 0.6391 | 0.6491 | 0.7917 | 0.6911 |
| 3,4-Thiophenedicarbonitrile | 0.2283 | 0.4627 | 0.7473 | 0.4346 | 0.7253 | 1.1721 | 1.9317 | 1.3621 | 1.5568 | 1.2084 |
| 3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one | 1.9612 | 0.0966 | 0.2561 | 0.2600 | 5.4132 | 0.4684 | 0.3156 | 0.2902 | 0.5007 | 0.4379 |
| 3,5,9-Trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24-carboxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- | 2.4944 | 1.0663 | 1.1859 | 2.7200 | 1.6610 | 0.1670 | 0.1640 | 0.1397 | 0.1820 | 0.2197 |
| 3-Amino-1,1,1-trifluoro-2-butanol | 1.0363 | 0.7399 | 0.9256 | 0.7221 | 3.0993 | 0.6574 | 0.7394 | 0.8392 | 0.5321 | 0.7088 |
| 3-Amino-2-oxazolidinone | 0.9089 | 1.0819 | 0.5475 | 0.6758 | 1.0385 | 1.2505 | 0.7230 | 0.6119 | 1.4772 | 1.6849 |
| 3-AMINO-2-PIPERIDONE | 0.9489 | 0.6955 | 0.8106 | 1.3021 | 1.4443 | 1.1058 | 0.8044 | 0.4114 | 1.0366 | 1.4404 |
| 3-Aminobutanoic acid | 0.8297 | 1.5382 | 3.9454 | 2.3767 | 0.4425 | 0.2107 | 0.1523 | 0.1684 | 0.2061 | 0.1299 |
| 3-(Aminocarbonyl)benzoic acid | 0.9481 | 0.9347 | 0.9517 | 1.1066 | 1.2346 | 1.3198 | 0.6637 | 0.3279 | 0.9888 | 1.5243 |
| 3-Aminoquinoline | 0.5896 | 0.5768 | 0.1695 | 2.1725 | 0.2489 | 1.5722 | 0.8840 | 0.9182 | 0.9285 | 2.1353 |
| (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al_14-xyloside | 0.7934 | 3.5164 | 2.9818 | 1.6636 | 0.4442 | 0.0810 | 0.1331 | 0.1361 | 0.1126 | 0.1377 |
| (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol | 0.2883 | 0.8786 | 0.8539 | 0.6186 | 0.3473 | 1.6318 | 1.2374 | 1.3185 | 1.5900 | 1.2356 |
| 3-Chloro-4-fluoro-5-trifluoromethylaniline | 1.4459 | 2.2715 | 1.7683 | 1.8782 | 0.8135 | 0.3013 | 0.3538 | 0.3442 | 0.5019 | 0.3214 |
| 3-Demethylubiquinone-9 | 0.4147 | 0.6524 | 0.7786 | 0.6385 | 0.8441 | 0.6462 | 1.7698 | 2.2709 | 1.2394 | 0.7455 |
| 3-Dodecyloxypropylamine | 1.0583 | 1.7306 | 1.9111 | 2.0236 | 2.6392 | 0.0986 | 0.1502 | 0.1373 | 0.1564 | 0.0947 |
| 3-Hydroxy-2-iodo-4-methoxybenzaldehyde | 1.6743 | 1.3011 | 1.3089 | 1.0572 | 1.0167 | 0.7345 | 0.7015 | 0.7485 | 0.7126 | 0.7446 |
| 3-Hydroxy-4-aminopyridine | 0.6951 | 1.2896 | 1.0221 | 1.1082 | 0.6586 | 0.6063 | 1.2478 | 2.0241 | 0.6105 | 0.7377 |
| 3-Hydroxybutyrylcarnitine (Car(4:0-O)) | 1.4393 | 2.6482 | 2.1078 | 1.8426 | 0.8898 | 0.0947 | 0.3863 | 0.2825 | 0.2461 | 0.0628 |
| 3-Hydroxyoleylcarnitine | 0.5708 | 0.1903 | 0.3866 | 1.0419 | 0.6340 | 0.4992 | 2.8423 | 2.8850 | 0.8921 | 0.0578 |
| 3-Hydroxystigmast-5-en-7-one | 0.7997 | 2.2395 | 2.5874 | 1.9534 | 1.3218 | 0.0871 | 0.3361 | 0.3850 | 0.1992 | 0.0907 |
| 3-Methyl-1H-pyrazole-4-carbaldehyde | 1.0227 | 1.7903 | 2.6886 | 2.6957 | 1.6041 | 0.0381 | 0.0471 | 0.0434 | 0.0350 | 0.0351 |
| (3-Methylbutyl)(6-methylheptan-2-yl)amine | 0.9196 | 2.5093 | 3.9815 | 1.0362 | 0.9971 | 0.0758 | 0.2067 | 0.1466 | 0.0748 | 0.0523 |
| 3-methylcytidine | 0.8409 | 1.6655 | 1.8154 | 2.4622 | 2.1216 | 0.2223 | 0.2026 | 0.2346 | 0.2364 | 0.1984 |
| 3-Methyl-.gamma.-butyrolactone | 1.3217 | 1.9006 | 2.5261 | 1.8570 | 1.9829 | 0.0703 | 0.1035 | 0.0661 | 0.0856 | 0.0862 |
| 3-Methylhistidine | 0.3237 | 1.1460 | 0.9182 | 0.6846 | 0.4825 | 1.1514 | 1.1916 | 1.5351 | 1.3916 | 1.1754 |
| 3^-O-methylcytidine | 0.6946 | 0.8911 | 1.4347 | 1.7730 | 0.9393 | 0.8228 | 0.7731 | 0.7831 | 0.9909 | 0.8973 |
| 3-Piperidin-4-ylpropanoic acid | 1.1177 | 0.2828 | 0.3698 | 1.2727 | 2.0286 | 1.2831 | 0.5334 | 0.7017 | 1.0232 | 1.3869 |
| 3-Pyridylacetic acid | 1.5797 | 1.6142 | 1.5993 | 1.9332 | 3.0808 | 0.0340 | 0.0500 | 0.0459 | 0.0348 | 0.0280 |
| 3-Quinolinecarbaldehyde | 0.6346 | 0.9642 | 0.8405 | 0.8250 | 1.0029 | 1.2344 | 0.7334 | 0.8142 | 1.1107 | 1.8402 |
| 3-tert-Butyl-5-isoxazolylamine | 1.3968 | 1.4589 | 0.9775 | 1.0452 | 1.2306 | 0.7973 | 0.7478 | 0.6521 | 0.7402 | 0.9536 |
| 3-Ureidoisobutyric acid | 0.9291 | 0.9119 | 1.0686 | 1.7823 | 1.3096 | 0.5525 | 1.2239 | 0.7172 | 0.5385 | 0.9665 |
| 3-Ureidopropionic acid | 0.3643 | 0.4783 | 0.5700 | 0.7160 | 0.4063 | 0.9722 | 1.7226 | 2.6105 | 1.2531 | 0.9067 |
| 4-(1,3-Dithiolan-2-yl)aniline | 0.9472 | 2.6600 | 2.3224 | 2.3424 | 0.9043 | 0.1599 | 0.1725 | 0.1599 | 0.1666 | 0.1649 |
| 4-(2-Methyl-1H-imidazol-1-yl)aniline | 0.3101 | 0.3455 | 0.3732 | 0.4420 | 0.2564 | 1.8867 | 1.3406 | 1.3563 | 1.1819 | 2.5075 |
| [4-(3,4-Dichlorophenyl)-5-(4-pyridyl)thiazol-2-yl]amine | 1.4503 | 1.3247 | 1.4368 | 1.5168 | 1.3788 | 0.4821 | 0.6369 | 0.5365 | 0.6232 | 0.6139 |
| 4,4,6-Trimethyl-1-(4-methylphenyl)-1,4-dihydro-2-pyrimidinethiol | 1.3897 | 1.4038 | 0.9602 | 0.8923 | 1.6689 | 0.9741 | 0.6328 | 0.4959 | 0.6803 | 0.9019 |
| 4-(4-Chlorophenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile | 0.8343 | 1.0042 | 0.8502 | 0.9326 | 0.9640 | 1.8741 | 0.5392 | 0.5159 | 0.8549 | 1.6305 |
| 4-(4-Piperidinyl)morpholine | 1.4631 | 1.1007 | 1.1325 | 1.1701 | 1.1724 | 0.8264 | 0.7338 | 0.7306 | 0.8294 | 0.8410 |
| 4-[4-(Trifluoromethoxy)phenoxy]piperidine | 3.6437 | 0.4211 | 0.9221 | 1.1019 | 2.4948 | 0.2277 | 0.3258 | 0.2593 | 0.3590 | 0.2446 |
| 4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline | 1.2226 | 0.1239 | 0.2004 | 0.2872 | 2.3271 | 1.1017 | 0.8128 | 0.7734 | 1.2666 | 1.8845 |
| 4,5-Dihydro-2-methylthiazole | 1.4329 | 1.6854 | 1.2567 | 1.3210 | 0.6527 | 0.8351 | 0.5156 | 0.2445 | 0.8809 | 1.1752 |
| [4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone | 0.5471 | 1.8802 | 2.7128 | 2.6504 | 0.8077 | 0.2426 | 0.2748 | 0.2843 | 0.3861 | 0.2139 |
| 4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol | 1.2454 | 1.2438 | 1.2548 | 1.2970 | 1.2598 | 0.7490 | 0.7274 | 0.7683 | 0.7275 | 0.7269 |
| 4-Amino-6-methoxy-3-quinolinecarboxylic acid | 1.7218 | 3.2157 | 0.9160 | 0.9563 | 1.1947 | 0.3526 | 0.3338 | 0.3570 | 0.3325 | 0.6197 |
| 4-Aminobutyric acid (GABA) | 1.2910 | 2.0081 | 2.0833 | 2.2707 | 2.0527 | 0.0645 | 0.0649 | 0.0416 | 0.0473 | 0.0761 |
| 4-Amino-N-(2-fluorophenyl)benzenesulfonamide | 0.8838 | 1.1970 | 1.0783 | 1.0544 | 1.8079 | 0.7804 | 1.0797 | 0.9928 | 0.6707 | 0.4550 |
| 4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone | 0.5772 | 0.9053 | 0.9571 | 1.1466 | 0.7226 | 0.8587 | 1.4440 | 1.1708 | 1.1701 | 1.0475 |
| 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine | 0.2352 | 0.3979 | 0.2615 | 0.3554 | 0.4786 | 1.3466 | 1.1164 | 0.8658 | 1.8119 | 3.1307 |
| 4-Chloro-N-(5-fluoro-2-methylphenyl)benzamide | 1.8397 | 0.1740 | 0.2704 | 0.3378 | 3.2061 | 0.9816 | 0.6087 | 0.6141 | 1.0205 | 0.9471 |
| (4E,10E)-13,21-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl carbamate | 0.0539 | 0.1068 | 0.1844 | 0.2105 | 0.1482 | 1.9814 | 1.0332 | 0.9980 | 3.2449 | 2.0387 |
| 4-Guanidinobutanamide | 0.5116 | 1.3258 | 1.5865 | 1.9270 | 0.6137 | 1.0916 | 0.6529 | 0.3755 | 0.8163 | 1.0992 |
| 4-Guanidinobutyric acid | 0.9417 | 0.9896 | 1.1136 | 1.6331 | 1.0007 | 0.9749 | 0.6303 | 0.4640 | 1.1350 | 1.1170 |
| 4-Hydroxybenzaldehyde | 2.1254 | 1.4954 | 1.9380 | 2.0418 | 2.1990 | 0.0459 | 0.0280 | 0.0065 | 0.0672 | 0.0530 |
| (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid | 1.7120 | 1.6694 | 1.8154 | 2.1656 | 2.4595 | 0.0350 | 0.0336 | 0.0340 | 0.0418 | 0.0337 |
| 4-Phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one | 2.0886 | 1.0358 | 0.9648 | 1.2393 | 1.1067 | 0.7728 | 0.5504 | 0.5484 | 0.8076 | 0.8856 |
| 4-Piperidinecarboxamide | 1.5052 | 1.3393 | 1.5461 | 1.4107 | 1.4635 | 0.6654 | 0.5630 | 0.4393 | 0.5543 | 0.5132 |
| 5-(2-Aminoethyl)-1H-imidazol-2-amine | 0.6373 | 1.8140 | 2.9431 | 2.9002 | 1.4122 | 0.0495 | 0.0569 | 0.0656 | 0.0578 | 0.0633 |
| 5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione | 1.1922 | 2.3907 | 2.5307 | 2.7046 | 0.7812 | 0.0636 | 0.0783 | 0.0694 | 0.1228 | 0.0665 |
| 5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-amine | 0.8046 | 1.8407 | 1.8841 | 2.2012 | 1.0099 | 0.3741 | 0.5285 | 0.4581 | 0.4153 | 0.4835 |
| 5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid | 1.9240 | 1.0539 | 1.2639 | 1.9628 | 2.3604 | 0.3278 | 0.2477 | 0.2036 | 0.3521 | 0.3039 |
| 5,6,7,8-Tetrahydrothieno[2,3-b]quinolin-4-amine | 0.7885 | 0.8654 | 1.3838 | 1.1253 | 1.1942 | 0.8841 | 0.9195 | 0.8950 | 1.1781 | 0.7662 |
| 5,6-Dihydrouridine | 0.8095 | 0.4826 | 0.6236 | 0.6123 | 0.8205 | 1.4175 | 1.6244 | 1.4293 | 1.1901 | 0.9902 |
| 5-Amino-1-methyl-2-piperidinone | 1.0788 | 1.1729 | 1.3255 | 1.1599 | 1.7110 | 0.7400 | 0.7273 | 0.7019 | 0.6117 | 0.7710 |
| 5-Aminopentanoic acid | 0.8473 | 1.4014 | 1.9831 | 1.2119 | 0.9652 | 0.5944 | 1.0152 | 0.5343 | 0.9220 | 0.5251 |
| 5-Bromo-4-isopentylpyrimidine | 0.6546 | 1.1539 | 1.3537 | 1.5904 | 1.1054 | 0.9177 | 1.1631 | 0.7116 | 0.4515 | 0.8981 |
| 5-Hydroxyindole-3-acetic acid | 1.3626 | 1.8229 | 1.7222 | 2.5033 | 2.1735 | 0.0738 | 0.0858 | 0.0809 | 0.0759 | 0.0990 |
| 5-Methylcytidine | 0.4119 | 1.3032 | 2.1494 | 2.2921 | 0.9172 | 0.5945 | 0.5417 | 0.6273 | 0.6321 | 0.5306 |
| 5-Methylisoxazol-3-amine | 0.8269 | 1.0318 | 0.8117 | 0.9103 | 0.5446 | 0.9723 | 1.3178 | 1.5941 | 1.0973 | 0.8931 |
| 5-Nitro-N-(3-pyridinylmethyl)-2-furamide | 1.5882 | 0.4469 | 0.4819 | 0.5172 | 0.9476 | 1.2549 | 1.0856 | 1.0864 | 1.3823 | 1.2090 |
| 5-Pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(trifluoromethyl)- | 0.8924 | 1.9834 | 2.2866 | 2.3441 | 0.8610 | 0.3155 | 0.3846 | 0.4182 | 0.2974 | 0.2168 |
| 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine | 1.0323 | 1.3400 | 1.0169 | 1.1482 | 0.5672 | 0.7809 | 0.9856 | 1.1135 | 0.8402 | 1.1753 |
| 6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran | 0.8189 | 1.6116 | 1.8368 | 1.9785 | 1.3566 | 0.4732 | 0.3368 | 0.2014 | 0.6500 | 0.7362 |
| 6-Acetylcodeine | 1.0491 | 1.5356 | 1.6142 | 2.2523 | 1.9826 | 0.2000 | 0.3865 | 0.3122 | 0.2947 | 0.3726 |
| 6-Aminonicotinic acid | 0.0356 | 0.1070 | 0.0546 | 0.0528 | 0.0310 | 1.7853 | 2.9917 | 1.0513 | 1.1216 | 2.7693 |
| 6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | 0.0075 | 0.0156 | 0.0262 | 0.0322 | 0.0074 | 2.4898 | 2.2218 | 1.7803 | 2.0927 | 1.3265 |
| 6-Benzylaminouracil | 0.1449 | 0.2453 | 0.1900 | 0.2558 | 0.2062 | 2.4727 | 1.0743 | 0.7809 | 1.1914 | 3.4384 |
| 6.beta.-Naltrexol | 0.0741 | 0.0396 | 0.0364 | 0.0575 | 0.0654 | 1.7089 | 1.6864 | 1.9312 | 1.8272 | 2.5734 |
| 6-(Chloromethyl)-N2-(2-naphthyl)-1,3,5-triazine-2,4-diamine | 1.6723 | 1.5338 | 1.7495 | 2.1253 | 2.3886 | 0.0014 | 0.0109 | 0.0123 | 0.0078 | 0.0022 |
| 6-endo-Hydroxycineole | 0.1594 | 0.1679 | 0.2884 | 0.2542 | 0.3093 | 1.7987 | 1.9493 | 0.6628 | 3.1619 | 1.2481 |
| 6-Hydrazino-3-pyridazinecarboxamide | 1.0069 | 2.0116 | 2.3010 | 2.4224 | 1.5401 | 0.1398 | 0.1489 | 0.1368 | 0.1476 | 0.1448 |
| 6-Methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one | 0.7332 | 1.2695 | 1.2160 | 1.8560 | 1.3627 | 0.8481 | 0.6185 | 0.3195 | 0.8921 | 0.8844 |
| 6-Methylnicotinamide | 0.5130 | 0.9120 | 0.5436 | 0.3382 | 0.2595 | 1.2174 | 1.7857 | 1.9814 | 1.0436 | 1.4056 |
| 7-Amino-4-methylquinolin-2-ol | 0.9993 | 1.3469 | 1.2919 | 1.1175 | 1.3059 | 0.6916 | 0.6428 | 0.7195 | 0.8636 | 1.0210 |
| 7H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,7-diamine | 1.3786 | 1.8824 | 1.6079 | 1.8353 | 1.6604 | 0.3274 | 0.2208 | 0.4164 | 0.4155 | 0.2554 |
| 7-Hydroxy-2-acetylaminofluorene | 0.8926 | 1.2166 | 1.6102 | 1.5676 | 1.3143 | 0.7200 | 0.6888 | 0.6533 | 0.6936 | 0.6431 |
| 7-Hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one | 0.8072 | 0.5214 | 0.5724 | 6.6313 | 1.0455 | 0.1580 | 0.0378 | 0.0452 | 0.0620 | 0.1193 |
| 7-Keto-8-aminopelargonic acid | 0.4153 | 0.7137 | 0.7642 | 0.7510 | 0.3645 | 0.7035 | 2.6112 | 2.1757 | 1.0500 | 0.4511 |
| 7-Methylguanine | 0.5583 | 1.7342 | 1.8509 | 1.7733 | 1.1421 | 0.4450 | 0.8396 | 0.7575 | 0.5101 | 0.3891 |
| [(7-Oxo-7H-benzo[de]anthracen-3-yl)sulfanyl]acetic acid | 0.2605 | 0.8484 | 0.7067 | 1.1052 | 0.6740 | 1.2706 | 1.4377 | 1.1998 | 1.2872 | 1.2098 |
| 8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)- | 0.6407 | 1.4051 | 1.1138 | 0.9636 | 0.6010 | 1.0495 | 1.3490 | 1.0931 | 0.9283 | 0.8560 |
| 8-Isobutanoylneosolaniol | 0.5060 | 0.3194 | 0.4763 | 0.4729 | 1.2099 | 0.9768 | 1.4523 | 1.5186 | 1.2390 | 1.8287 |
| 8-Methylquinolin-2(1H)-one | 0.4605 | 2.5563 | 2.7036 | 1.4835 | 0.9738 | 0.6215 | 0.1980 | 0.0686 | 0.4992 | 0.4351 |
| 9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg:3^,2^,1^-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2H)-dione | 0.7351 | 2.2344 | 1.9586 | 1.7249 | 0.7976 | 0.3386 | 0.6479 | 0.5141 | 0.5275 | 0.5215 |
| 9Z,11E,13E-Octadecatrienoic acid | 1.5799 | 1.3025 | 0.8531 | 0.9691 | 1.6634 | 0.8455 | 0.8536 | 0.4430 | 0.6059 | 0.8842 |
| Acetildenafil | 1.1196 | 2.7121 | 1.7728 | 2.4122 | 1.5355 | 0.0545 | 0.1158 | 0.1000 | 0.1034 | 0.0742 |
| Acetoin | 0.4285 | 0.6520 | 0.8157 | 0.7539 | 0.7735 | 1.3418 | 1.4288 | 1.3170 | 1.1634 | 1.3255 |
| Acetophenazine | 1.1956 | 0.9754 | 1.3070 | 1.0298 | 0.8852 | 0.6560 | 0.5398 | 1.0683 | 1.5111 | 0.8319 |
| Acetylcarnitine (Car(2:0)) | 0.0478 | 0.0686 | 0.0693 | 0.0671 | 0.0554 | 1.9095 | 2.0268 | 1.9293 | 1.9449 | 1.8813 |
| Adenine | 1.5868 | 2.9374 | 1.0912 | 3.3640 | 0.6498 | 0.0783 | 0.0789 | 0.0810 | 0.0631 | 0.0695 |
| Adenosine | 2.3891 | 1.2581 | 1.7119 | 2.1449 | 2.4251 | 0.0117 | 0.0139 | 0.0164 | 0.0115 | 0.0175 |
| Adenosine dialdehyde | 3.0764 | 1.7358 | 1.4430 | 1.0295 | 2.0130 | 0.1270 | 0.2398 | 0.1628 | 0.1009 | 0.0717 |
| Alanine | 1.6945 | 1.4164 | 1.6589 | 2.1912 | 2.2728 | 0.1439 | 0.1465 | 0.1387 | 0.1881 | 0.1489 |
| Ala-Val | 1.4187 | 1.3169 | 1.0886 | 1.9184 | 3.1400 | 0.2254 | 0.3723 | 0.1309 | 0.1307 | 0.2582 |
| Allopurinol | 0.4468 | 0.3226 | 0.2768 | 0.1926 | 0.6386 | 1.1278 | 1.3013 | 2.1209 | 2.2194 | 1.3532 |
| Aminofructose_6-phosphate | 0.6684 | 2.7878 | 1.5474 | 1.6370 | 1.4365 | 0.2626 | 0.5155 | 0.5213 | 0.4365 | 0.1870 |
| Amobarbital | 1.8983 | 1.8085 | 1.7793 | 1.8152 | 1.8778 | 0.1301 | 0.1977 | 0.1909 | 0.1745 | 0.1278 |
| Anserine | 0.1545 | 0.3236 | 0.3483 | 0.3424 | 0.5953 | 0.8882 | 1.1408 | 1.2570 | 1.5766 | 3.3732 |
| Apocholic acid | 0.6335 | 3.2153 | 0.4852 | 0.3503 | 1.4424 | 0.9072 | 0.3779 | 1.0433 | 1.4155 | 0.1294 |
| Arachidonoylcarnitine (Car(20:4)) | 1.0814 | 1.9121 | 1.9211 | 1.8196 | 2.0136 | 0.1933 | 0.3243 | 0.3572 | 0.2338 | 0.1437 |
| Arachidyl_carnitine | 0.9703 | 2.1649 | 2.6807 | 2.2809 | 1.2343 | 0.1027 | 0.1446 | 0.1906 | 0.1522 | 0.0787 |
| arborinine | 1.9678 | 1.2742 | 1.2737 | 1.4759 | 3.9616 | 0.0072 | 0.0134 | 0.0095 | 0.0111 | 0.0056 |
| Arg-Ala | 3.3051 | 1.4752 | 1.8921 | 1.8188 | 1.2761 | 0.0157 | 0.0691 | 0.0848 | 0.0468 | 0.0163 |
| Arginine | 0.5957 | 1.1820 | 1.3386 | 1.5693 | 0.8268 | 0.8072 | 0.8071 | 0.7317 | 1.0647 | 1.0769 |
| Argininic_acid | 0.5398 | 1.7569 | 0.7735 | 0.9444 | 0.4542 | 1.5338 | 0.7264 | 0.5062 | 1.3070 | 1.4578 |
| Arg-Pro | 1.5891 | 1.1205 | 1.2914 | 2.8458 | 1.7403 | 0.0884 | 0.4438 | 0.5158 | 0.2762 | 0.0888 |
| Aspartate | 1.8492 | 1.1463 | 1.9579 | 2.0920 | 1.9891 | 0.1884 | 0.2016 | 0.1858 | 0.2457 | 0.1438 |
| Beclomethasone | 0.5269 | 0.3657 | 0.4558 | 0.5508 | 1.3229 | 0.9528 | 1.3200 | 1.5452 | 1.0988 | 1.8610 |
| Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-N-(phenylsulfonyl)- | 2.1255 | 0.1904 | 0.6280 | 1.2054 | 2.5686 | 0.6842 | 0.3802 | 0.4079 | 0.7726 | 0.6666 |
| Benzoylcarnitine (Car(7:4)) | 1.2362 | 0.2349 | 0.6926 | 1.5305 | 2.2791 | 1.0397 | 0.6225 | 0.1312 | 0.9962 | 1.2370 |
| Benztropine | 3.1056 | 1.4522 | 1.7395 | 1.1894 | 0.6511 | 0.3738 | 0.2695 | 0.2375 | 0.4969 | 0.4845 |
| Benzyldimethyltetradecylammonium cation | 0.3024 | 2.5342 | 4.1521 | 0.6830 | 0.1101 | 0.0473 | 0.1572 | 0.9927 | 0.3028 | 0.0902 |
| beta-Guanidinopropionic acid | 2.8987 | 1.8138 | 1.5623 | 1.6746 | 0.8784 | 0.1677 | 0.3014 | 0.2836 | 0.2167 | 0.2028 |
| Betaine | 1.0960 | 1.4324 | 1.2495 | 1.4292 | 1.3923 | 0.6180 | 0.7663 | 0.7036 | 0.6850 | 0.6276 |
| Betaine aldehyde | 0.6452 | 1.2981 | 0.9206 | 0.9421 | 0.5612 | 1.1321 | 1.1190 | 1.0643 | 1.1296 | 1.1878 |
| Betonicine | 1.3845 | 0.9212 | 1.1920 | 1.4821 | 2.1767 | 0.5918 | 0.4728 | 0.3487 | 0.7259 | 0.7042 |
| Biopterin | 1.0847 | 1.8363 | 2.2001 | 2.4147 | 1.3191 | 0.2217 | 0.2582 | 0.2413 | 0.2348 | 0.1891 |
| Bistris | 1.1342 | 1.4628 | 1.7314 | 1.4463 | 1.4235 | 0.1662 | 0.5986 | 0.8370 | 0.9388 | 0.2612 |
| Butalbital | 2.1002 | 0.4531 | 0.3907 | 3.6865 | 2.6763 | 0.1483 | 0.1291 | 0.1257 | 0.1394 | 0.1506 |
| Butanoic acid | 0.4285 | 0.6520 | 0.8157 | 0.7539 | 0.7735 | 1.3418 | 1.4288 | 1.3170 | 1.1634 | 1.3255 |
| Butyrylcarnitine (Car(4:0)) | 2.8595 | 1.3200 | 1.6868 | 2.1785 | 1.3163 | 0.1697 | 0.1192 | 0.0882 | 0.1232 | 0.1385 |
| Cafestol | 1.3900 | 1.4802 | 1.5488 | 1.3194 | 3.0642 | 0.0786 | 0.0979 | 0.0295 | 0.1252 | 0.0802 |
| Calcipotriol | 0.3623 | 1.0294 | 0.4164 | 0.3165 | 0.9282 | 0.9371 | 1.8668 | 2.2368 | 1.1476 | 0.6616 |
| Caplamin | 1.0233 | 1.8820 | 2.2451 | 2.3573 | 1.7537 | 0.1857 | 0.0877 | 0.1157 | 0.1619 | 0.1875 |
| Caprolactam | 0.5906 | 0.9141 | 0.7266 | 0.8951 | 0.6390 | 1.2680 | 1.2584 | 1.3899 | 1.1063 | 1.2119 |
| Car(18:0) | 0.8986 | 2.5136 | 2.8931 | 2.1809 | 1.4759 | 0.0021 | 0.0106 | 0.0174 | 0.0056 | 0.0022 |
| Car(18:1) | 0.8762 | 1.6365 | 1.5178 | 0.9385 | 1.2293 | 0.3443 | 1.3155 | 1.2939 | 0.6140 | 0.2339 |
| Carbadox | 1.2313 | 0.2914 | 0.5338 | 0.7126 | 3.7421 | 0.7654 | 0.6532 | 0.5687 | 0.9293 | 0.5722 |
| Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1S)-2,3-dihydro-1H-inden-1-yl ester | 0.2154 | 0.2507 | 0.2319 | 0.2335 | 0.2336 | 1.7377 | 1.7298 | 1.9867 | 1.6986 | 1.6822 |
| Carbidopa | 0.4059 | 2.9732 | 1.2391 | 1.0257 | 0.6485 | 0.4730 | 1.0554 | 0.9562 | 0.7691 | 0.4539 |
| Carnitine | 1.6158 | 1.3871 | 1.7171 | 2.0332 | 1.9821 | 0.2828 | 0.2364 | 0.2113 | 0.2660 | 0.2681 |
| Carnosine | 0.2813 | 0.1470 | 0.2013 | 0.1747 | 0.1518 | 1.3727 | 1.7772 | 1.5202 | 1.5801 | 2.7937 |
| Cer(d18:1/16:0) | 1.1296 | 1.0011 | 1.4344 | 1.1833 | 3.4801 | 0.2632 | 0.4979 | 0.4919 | 0.3115 | 0.2069 |
| cis-4-Decenoylcarnitine | 0.4767 | 1.6541 | 1.1329 | 0.9654 | 1.0535 | 1.1190 | 1.0567 | 0.9392 | 0.8716 | 0.7252 |
| Cohibin_D | 1.8134 | 1.0035 | 1.5871 | 1.0671 | 0.7207 | 0.7829 | 0.6134 | 0.6644 | 1.0020 | 0.7455 |
| Creatine | 2.8987 | 1.8138 | 1.5623 | 1.6746 | 0.8784 | 0.1677 | 0.3014 | 0.2836 | 0.2167 | 0.2028 |
| Creatinine | 0.2698 | 0.4850 | 0.4157 | 0.3936 | 0.4300 | 1.0577 | 2.1387 | 2.3671 | 1.3901 | 1.0525 |
| Crotonic acid | 1.3871 | 1.9320 | 2.0568 | 2.2566 | 2.1472 | 0.0273 | 0.0407 | 0.0375 | 0.0364 | 0.0785 |
| CRUSTECDYSONE | 0.8430 | 0.9337 | 0.8722 | 1.2442 | 0.5837 | 1.2818 | 1.1582 | 1.0845 | 1.0052 | 0.9934 |
| Cyanazine | 1.8276 | 0.2309 | 0.3873 | 0.4786 | 3.0934 | 0.8973 | 0.6111 | 0.6345 | 0.9770 | 0.8621 |
| Cyclocytidine | 3.1230 | 0.4010 | 0.6053 | 0.7130 | 2.8659 | 0.5271 | 0.3657 | 0.3721 | 0.5357 | 0.4912 |
| Cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol | 0.8996 | 1.8805 | 2.4290 | 1.7069 | 1.3399 | 0.3026 | 0.3583 | 0.2931 | 0.6246 | 0.1655 |
| CYCLOPENTANONE | 0.7070 | 2.2521 | 2.1809 | 2.8035 | 0.8037 | 0.2773 | 0.2033 | 0.2413 | 0.2448 | 0.2862 |
| Cysteine-glutathione disulfide | 0.8098 | 1.9042 | 2.2880 | 2.4761 | 0.5584 | 0.2874 | 0.4957 | 0.5780 | 0.3581 | 0.2441 |
| Cytidine | 0.5880 | 1.9981 | 2.8889 | 2.7440 | 0.9402 | 0.1436 | 0.1629 | 0.1580 | 0.2415 | 0.1349 |
| Cytosine | 0.6842 | 1.6182 | 2.4194 | 2.2264 | 1.0279 | 0.4046 | 0.4644 | 0.4992 | 0.3385 | 0.3173 |
| Daltogen | 0.4741 | 0.8647 | 0.6050 | 1.0339 | 0.8102 | 0.8319 | 1.1318 | 1.4771 | 1.6891 | 1.0823 |
| Daminozide | 0.9543 | 0.4062 | 0.5215 | 1.3871 | 2.1307 | 0.7069 | 1.0793 | 1.3180 | 0.8329 | 0.6632 |
| Damnacanthal | 1.1001 | 1.2541 | 1.5433 | 1.2949 | 2.2844 | 0.2332 | 0.5982 | 0.9750 | 0.3604 | 0.3565 |
| Decamethylcyclopentasiloxane | 0.6943 | 0.6391 | 0.4278 | 0.4040 | 0.5489 | 1.4991 | 1.2556 | 1.4886 | 1.2353 | 1.8072 |
| Decanoylcarnitine (Car(10:0)) | 0.4029 | 1.2657 | 0.7161 | 0.6277 | 0.6292 | 1.1954 | 1.5926 | 1.1630 | 1.3402 | 1.0051 |
| Decenedioylcarnitine (Car(10:1-O2)) | 0.4265 | 0.3142 | 1.3141 | 2.3593 | 0.5235 | 0.4355 | 1.7111 | 2.1574 | 0.5476 | 0.2108 |
| .delta.-Tocotrienol | 0.0608 | 0.1245 | 0.0890 | 0.0976 | 0.0984 | 0.8734 | 3.6733 | 2.4711 | 1.4571 | 0.6067 |
| Deschloronornidulin | 0.6465 | 0.6344 | 0.5944 | 0.5801 | 0.6223 | 1.5835 | 1.2257 | 1.2389 | 1.2304 | 1.6438 |
| Desisopropyldisopyramide | 0.5363 | 1.2133 | 1.0859 | 1.0649 | 0.3817 | 1.1642 | 1.5244 | 1.1521 | 1.0312 | 0.8461 |
| DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0) | 1.4629 | 0.5015 | 0.6854 | 0.7336 | 1.2449 | 0.8147 | 0.9692 | 1.1780 | 1.1600 | 1.2498 |
| Didemethylmifepristone | 0.7109 | 0.4705 | 0.5885 | 0.5977 | 0.6940 | 1.8896 | 0.8778 | 1.2882 | 2.5775 | 0.3607 |
| Diethanolamine | 1.6022 | 1.7125 | 1.7808 | 1.5079 | 1.1583 | 0.1525 | 0.4748 | 0.5099 | 0.9616 | 0.1394 |
| (Diethylamino)(oxo)acetic acid | 1.3235 | 1.3069 | 1.5021 | 1.4899 | 1.9268 | 0.3154 | 0.6830 | 0.7803 | 0.3633 | 0.3089 |
| Dihydrothymine | 0.9075 | 1.3644 | 1.0215 | 1.4100 | 1.0167 | 1.1493 | 0.6742 | 0.6485 | 0.6938 | 1.1141 |
| Dihydroxyacetone_Phosphate_Acyl_Ester | 1.6516 | 1.7583 | 1.0345 | 1.0651 | 1.0060 | 0.8520 | 0.6006 | 0.6381 | 0.6439 | 0.7498 |
| Diisopropyl_sulfide | 0.5381 | 0.8930 | 1.2800 | 0.7955 | 0.6150 | 0.9593 | 1.2241 | 1.0826 | 1.3314 | 1.2810 |
| Dimethylethanolamine | 0.4219 | 0.6819 | 0.5174 | 0.6254 | 0.6027 | 1.4566 | 1.5666 | 1.0315 | 1.0774 | 2.0185 |
| Dimethylglycine | 0.0420 | 0.1265 | 0.0667 | 0.0640 | 0.0531 | 1.3226 | 2.3755 | 2.7820 | 2.0166 | 1.1510 |
| Diuron-desdimethyl | 1.7119 | 1.6122 | 1.6014 | 1.6829 | 1.6301 | 0.2610 | 0.4465 | 0.4715 | 0.3307 | 0.2517 |
| DL-Homocysteine thiolactone | 0.7006 | 0.7147 | 1.0466 | 0.9626 | 0.5408 | 1.2237 | 0.8761 | 0.8189 | 1.5044 | 1.6117 |
| DMPO | 0.5906 | 0.9141 | 0.7266 | 0.8951 | 0.6390 | 1.2680 | 1.2584 | 1.3899 | 1.1063 | 1.2119 |
| Docos-13-enoylcarnitine | 1.4874 | 1.8397 | 2.4640 | 2.1158 | 1.2427 | 0.2012 | 0.1620 | 0.1159 | 0.1666 | 0.2046 |
| Dodemorph | 0.4133 | 1.2482 | 1.0734 | 1.1133 | 0.8003 | 0.9570 | 0.9374 | 0.6610 | 1.7128 | 1.0832 |
| Donhexocin | 0.7778 | 0.3942 | 0.6291 | 1.2492 | 0.8447 | 0.9677 | 2.4267 | 1.0156 | 0.7370 | 0.9580 |
| Drostanolone propionate | 0.2224 | 0.3957 | 0.3725 | 0.4083 | 0.2670 | 1.9189 | 1.1862 | 1.3669 | 2.0810 | 1.7812 |
| Dye X-5380-110B | 0.9359 | 1.0117 | 1.1887 | 1.3968 | 1.2480 | 0.3993 | 0.9757 | 1.4362 | 0.7333 | 0.6743 |
| EDTA | 3.4934 | 0.7582 | 0.9416 | 0.8825 | 1.3552 | 0.1613 | 1.8981 | 0.1434 | 0.1724 | 0.1938 |
| Eicosadienoylcarnitine | 1.0734 | 2.6859 | 2.2503 | 1.6759 | 1.3636 | 0.1197 | 0.3335 | 0.2955 | 0.1208 | 0.0814 |
| Eicoseneoylcarnitine (Car(20:1)) | 1.0101 | 2.4630 | 2.3434 | 1.7148 | 1.5218 | 0.0885 | 0.3414 | 0.3143 | 0.1390 | 0.0638 |
| Emetamine | 0.8794 | 0.7067 | 1.1563 | 0.8621 | 1.0567 | 1.1777 | 0.6830 | 0.5980 | 0.7138 | 2.1663 |
| Epinephrine | 1.1334 | 1.2235 | 1.6225 | 1.6477 | 2.1972 | 0.2454 | 1.1186 | 0.3128 | 0.2438 | 0.2552 |
| Eplerenone | 0.2802 | 0.2716 | 0.4883 | 0.8464 | 0.4851 | 1.1601 | 1.5611 | 2.2153 | 1.2333 | 1.4585 |
| Ethanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]- | 0.6423 | 1.3821 | 1.5623 | 1.6934 | 0.9109 | 0.6944 | 0.8151 | 0.7897 | 0.7399 | 0.7699 |
| Ethephon | 1.6309 | 1.8470 | 2.1228 | 2.0422 | 2.1851 | 0.0455 | 0.0342 | 0.0213 | 0.0346 | 0.0365 |
| Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate | 3.0460 | 0.6968 | 0.5804 | 2.2767 | 2.8703 | 0.0718 | 0.0730 | 0.0120 | 0.1115 | 0.2613 |
| Ethyl 2-amino-4-phenylthiophene-3-carboxylate | 1.3725 | 1.8636 | 2.1508 | 2.2475 | 1.4056 | 0.1742 | 0.1970 | 0.2053 | 0.1757 | 0.2078 |
| Ethyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate | 1.3758 | 1.1599 | 1.1198 | 1.1339 | 1.1530 | 0.3810 | 0.9195 | 1.3776 | 0.6900 | 0.6895 |
| Etofylline | 2.9905 | 0.4034 | 0.5310 | 0.6513 | 2.8477 | 0.5710 | 0.4360 | 0.4515 | 0.5759 | 0.5416 |
| Fagomine | 0.7060 | 0.5090 | 0.8517 | 0.9076 | 1.0368 | 1.5779 | 0.8115 | 0.8713 | 1.3227 | 1.4056 |
| Falimint | 0.3671 | 0.6454 | 0.6812 | 0.6246 | 0.4117 | 1.2356 | 1.5503 | 1.0546 | 1.4779 | 1.9515 |
| Ferulic acid 4-O-glucuronide | 0.5462 | 0.4429 | 0.3478 | 0.3284 | 0.4804 | 1.6050 | 1.3286 | 1.7256 | 1.2199 | 1.9751 |
| Flurandrenolide | 0.3936 | 0.2574 | 0.4067 | 0.3653 | 1.1842 | 1.1003 | 1.3043 | 1.4455 | 1.1402 | 2.1978 |
| Fluticasone_propionate | 3.9165 | 0.0785 | 0.2198 | 0.3180 | 5.0825 | 0.0629 | 0.0350 | 0.0294 | 0.0468 | 0.0570 |
| Fomepizole | 1.4698 | 1.7513 | 1.3353 | 1.5405 | 1.0901 | 0.4973 | 0.8028 | 0.5439 | 0.4773 | 0.4919 |
| Formiminoglutamic acid | 1.1408 | 0.6784 | 0.9982 | 0.8939 | 0.8785 | 1.0265 | 2.2631 | 1.2137 | 0.5697 | 0.3370 |
| Fructose | 0.0340 | 0.0709 | 0.0413 | 0.0433 | 0.0474 | 3.0249 | 0.9786 | 0.9461 | 1.6929 | 3.1204 |
| Furcelleran | 0.1712 | 0.4946 | 0.3693 | 0.3428 | 0.1694 | 0.2056 | 4.7849 | 2.6049 | 1.2900 | 0.6397 |
| Gabapentin | 1.2430 | 0.9951 | 1.3077 | 1.1029 | 1.9866 | 0.5215 | 0.4941 | 0.5204 | 1.2500 | 0.5787 |
| Galactose | 0.0340 | 0.0709 | 0.0413 | 0.0433 | 0.0474 | 3.0249 | 0.9786 | 0.9461 | 1.6929 | 3.1204 |
| gamma-Glutamylalanine | 1.9949 | 0.9667 | 1.4762 | 1.4546 | 1.5990 | 0.4664 | 0.4581 | 0.4890 | 0.6403 | 0.4549 |
| gamma-Glutamylglutamic acid | 1.0718 | 1.7190 | 3.2846 | 2.8257 | 0.9205 | 0.0308 | 0.0467 | 0.0416 | 0.0432 | 0.0162 |
| gamma-Glutamylglutamine | 0.0746 | 0.0373 | 0.0541 | 0.0608 | 0.0519 | 1.4178 | 2.4506 | 2.6472 | 1.9586 | 1.2471 |
| gamma-Glutamyllysine | 0.3940 | 0.9263 | 0.7145 | 0.5436 | 0.1915 | 1.6604 | 1.4737 | 1.3909 | 1.3890 | 1.3161 |
| Gentamicin | 1.5155 | 0.1839 | 0.2530 | 0.3527 | 4.6976 | 0.4967 | 0.6387 | 0.8754 | 0.5409 | 0.4457 |
| Glabrone | 0.7573 | 2.0724 | 2.4897 | 2.0437 | 0.8813 | 0.2649 | 0.4373 | 0.5499 | 0.3223 | 0.1812 |
| GlcCer(d18:1/16:0) | 0.1261 | 0.1989 | 0.2355 | 0.1356 | 0.1225 | 1.2942 | 2.2545 | 2.8888 | 1.4659 | 1.2781 |
| Gln-Gln | 0.8045 | 0.2959 | 0.4013 | 0.4736 | 0.4216 | 0.6531 | 3.9139 | 1.6993 | 0.7459 | 0.5908 |
| Glutamate | 1.1823 | 1.7693 | 2.5183 | 2.7710 | 1.3758 | 0.0613 | 0.0746 | 0.0667 | 0.1170 | 0.0636 |
| Glutamine | 0.8277 | 1.6825 | 1.8084 | 1.7109 | 1.0502 | 0.5041 | 0.7467 | 0.7377 | 0.5325 | 0.3992 |
| Glutathione disulfide | 1.5208 | 1.4559 | 2.1197 | 2.8919 | 1.6948 | 0.0693 | 0.0548 | 0.0672 | 0.0767 | 0.0489 |
| Glycerophosphocholine | 1.9651 | 0.4184 | 0.7983 | 0.9608 | 3.6651 | 0.5093 | 0.3433 | 0.3490 | 0.5373 | 0.4534 |
| Glycerophospho-N-palmitoylethanolamine | 0.6158 | 1.1019 | 0.9599 | 1.2017 | 0.7456 | 0.9248 | 1.0656 | 1.3198 | 1.1846 | 0.8803 |
| Glycine | 1.3808 | 1.3596 | 1.8011 | 3.0507 | 2.0263 | 0.0832 | 0.0706 | 0.0556 | 0.0842 | 0.0878 |
| Glycyl-Lysine | 2.3345 | 1.9264 | 2.1873 | 1.7501 | 0.6426 | 0.1987 | 0.3660 | 0.1897 | 0.1944 | 0.2103 |
| Guanidoacetic acid | 2.1390 | 1.0750 | 1.0893 | 1.2739 | 2.4397 | 0.4387 | 0.3913 | 0.2678 | 0.3633 | 0.5221 |
| Haplamine | 1.3722 | 0.4009 | 0.6628 | 0.6208 | 5.5360 | 0.2712 | 0.1882 | 0.2852 | 0.3571 | 0.3056 |
| Hemin cation | 1.1809 | 2.6079 | 1.6373 | 1.8258 | 1.2137 | 0.2847 | 0.5231 | 0.2468 | 0.2189 | 0.2610 |
| Heptadecanoyl_carnitine | 1.0437 | 2.0455 | 2.1194 | 1.5374 | 1.7209 | 0.1396 | 0.4824 | 0.5151 | 0.2681 | 0.1280 |
| Heptadecasphinganine | 0.1524 | 0.2776 | 0.3562 | 0.3155 | 0.3478 | 0.9688 | 2.8028 | 1.8210 | 1.7043 | 1.2537 |
| Heptanedioic acid, 1-(2-cyclopentylidenehydrazide) | 1.1538 | 1.9905 | 2.2345 | 2.1643 | 1.7984 | 0.0913 | 0.1678 | 0.1576 | 0.1564 | 0.0855 |
| Heptanoylcarnitine (Car(7:0)) | 2.0719 | 1.4313 | 2.0113 | 1.3712 | 1.7180 | 0.2955 | 0.3056 | 0.2789 | 0.2726 | 0.2436 |
| Hexadecenedioylcarnitine (Car(16:1-O2)) | 0.6876 | 0.7085 | 1.1606 | 0.3168 | 0.7404 | 0.8005 | 2.2519 | 1.7468 | 0.6812 | 0.9325 |
| Hexaethylene glycol | 0.5624 | 0.6034 | 1.0956 | 0.6561 | 1.3616 | 1.0794 | 1.0554 | 1.2240 | 0.8969 | 1.4655 |
| Hexanoylcarnitine (Car(6:0)) | 1.2517 | 1.6659 | 1.8626 | 1.7334 | 0.9948 | 0.5970 | 0.5109 | 0.4508 | 0.4759 | 0.4569 |
| Hexenoylcarnitine (Car(6:1)) | 1.0911 | 1.2331 | 1.4398 | 1.5903 | 1.6514 | 0.6645 | 0.6171 | 0.5266 | 0.6310 | 0.5551 |
| Histamine | 0.7048 | 2.1233 | 3.7918 | 1.9412 | 0.3635 | 0.1901 | 0.2242 | 0.2024 | 0.2220 | 0.2368 |
| Histidine | 0.7048 | 2.3141 | 2.4906 | 2.8949 | 1.2800 | 0.0635 | 0.0703 | 0.0576 | 0.0572 | 0.0671 |
| Homoarecoline | 0.9637 | 1.5904 | 1.8468 | 1.6794 | 0.8745 | 0.4763 | 0.4500 | 0.4456 | 1.1403 | 0.5330 |
| Hygric acid | 0.4470 | 0.5642 | 0.4111 | 0.3744 | 0.2675 | 1.9757 | 1.2744 | 1.1948 | 1.2245 | 2.2665 |
| Hymexazole | 1.4007 | 1.6058 | 1.1513 | 0.9674 | 0.7599 | 0.8574 | 0.8598 | 0.7699 | 0.7502 | 0.8776 |
| Hypoxanthine | 1.2172 | 1.5173 | 1.6421 | 2.0543 | 2.0138 | 0.0208 | 0.3420 | 0.8857 | 0.2359 | 0.0709 |
| Ile-Leu | 2.0156 | 0.7895 | 1.0551 | 0.9396 | 2.5119 | 0.0123 | 0.0109 | 0.0123 | 0.0063 | 0.0029 |
| Imidazoleacetic acid | 1.5381 | 1.1950 | 1.0832 | 0.7506 | 1.0304 | 0.8794 | 1.1676 | 1.1434 | 0.6299 | 0.5824 |
| Inosine | 1.8728 | 1.8010 | 2.0622 | 1.9983 | 1.7806 | 0.0097 | 0.0808 | 0.2923 | 0.0759 | 0.0263 |
| IS4 | 0.7164 | 0.9463 | 1.0659 | 1.1367 | 0.9970 | 1.0349 | 1.0435 | 1.0523 | 1.0124 | 0.9945 |
| IS5 | 1.0395 | 1.5849 | 1.7306 | 1.8235 | 1.9086 | 0.4113 | 0.3939 | 0.4649 | 0.3058 | 0.3371 |
| IS6 | 0.6550 | 0.9390 | 0.9882 | 1.1654 | 1.3177 | 1.0546 | 0.9442 | 0.9546 | 0.9392 | 1.0421 |
| Isobutyrylcarnitine (Car(4:0)) | 2.8595 | 1.3200 | 1.6868 | 2.1785 | 1.3163 | 0.1697 | 0.1192 | 0.0882 | 0.1232 | 0.1385 |
| Isodesmosine | 0.3773 | 0.3260 | 0.3231 | 0.4099 | 0.3867 | 1.1075 | 2.1452 | 2.9496 | 1.2078 | 0.7670 |
| Isoleucine | 0.8773 | 1.8868 | 1.9564 | 2.1428 | 1.5351 | 0.2860 | 0.4236 | 0.3349 | 0.2671 | 0.2900 |
| Isonicotinic acid | 2.5907 | 0.8820 | 0.8980 | 3.4494 | 0.9727 | 0.2732 | 0.1819 | 0.2018 | 0.2245 | 0.3257 |
| Isopongaflavone | 0.5533 | 1.6124 | 1.7774 | 2.1560 | 0.7069 | 0.4120 | 0.7515 | 0.7890 | 0.5754 | 0.6661 |
| Isopropalin | 1.0770 | 1.7045 | 2.0864 | 2.2674 | 2.2092 | 0.0871 | 0.1533 | 0.1376 | 0.2132 | 0.0644 |
| Isovalerylcarnitine (Car(5:0)) | 1.3438 | 1.7350 | 2.9773 | 1.8384 | 1.3938 | 0.1367 | 0.1558 | 0.0990 | 0.1738 | 0.1465 |
| Isoverticine | 1.2477 | 0.0477 | NA | 0.1188 | 5.4796 | 0.0594 | 0.2387 | 0.4238 | 0.1671 | 0.0361 |
| Kynurenine | 0.1254 | 2.5251 | 3.0779 | 2.0554 | 0.9201 | 0.1831 | 0.2753 | 0.2892 | 0.2424 | 0.3062 |
| Lauramine oxide | 0.9678 | 1.9750 | 1.9781 | 2.1967 | 2.7204 | 0.0195 | 0.0415 | 0.0485 | 0.0318 | 0.0207 |
| Lauric diethanolamide | 1.2293 | 1.4504 | 1.7417 | 1.5721 | 1.1477 | 0.5627 | 0.5925 | 0.6099 | 0.5438 | 0.5499 |
| Lauroylcarnitine | 0.7390 | 1.2330 | 0.9377 | 0.7121 | 0.6947 | 1.1041 | 1.4078 | 1.0081 | 1.2460 | 0.9176 |
| L-Azetidine-2-carboxylic acid | 0.9074 | 0.9545 | 0.8379 | 0.8500 | 1.0958 | 1.0275 | 1.0556 | 1.0699 | 1.1173 | 1.0843 |
| Leucine | 0.8773 | 1.8868 | 1.9564 | 2.1428 | 1.5351 | 0.2860 | 0.4236 | 0.3349 | 0.2671 | 0.2900 |
| Leu-Ile | 2.0156 | 0.7895 | 1.0551 | 0.9396 | 2.5119 | 0.0123 | 0.0109 | 0.0123 | 0.0063 | 0.0029 |
| L-Homoserine lactone | 0.2282 | 0.2067 | 0.2188 | 0.2254 | 0.2857 | 1.5266 | 2.2668 | 1.9270 | 1.9252 | 1.1895 |
| Ligustrazine | 0.9312 | 2.5037 | 1.4487 | 0.7659 | 0.6669 | 0.6392 | 0.8801 | 0.9053 | 0.5463 | 0.7127 |
| Linoleamide | 1.2538 | 1.1376 | 1.2041 | 1.4426 | 2.5916 | 0.3036 | 0.2717 | 0.1772 | 0.4619 | 1.1559 |
| L-Menthone_1,2-glycerol_ketal | 0.4323 | 1.6769 | 2.0468 | 1.6406 | 3.2613 | 0.1412 | 0.2263 | 0.2584 | 0.1942 | 0.1221 |
| L-NG-Monomethylarginine | 0.6784 | 0.9639 | 1.7182 | 1.9475 | 0.9026 | 1.0490 | 0.5717 | 0.4493 | 0.6434 | 1.0760 |
| Lotaustralin | 0.8758 | 0.6758 | 1.1142 | 1.7020 | 2.8252 | 0.3643 | 0.7980 | 0.6813 | 0.5338 | 0.4296 |
| LPC(16:0) | 0.2950 | 0.3894 | 0.4508 | 0.4975 | 0.3062 | 1.2759 | 1.6359 | 1.9822 | 1.7160 | 1.4511 |
| LPC(17:0/0:0) | 0.3652 | 0.3965 | 0.4444 | 0.5398 | 0.3716 | 1.3871 | 1.4288 | 1.8934 | 1.6638 | 1.5094 |
| LPC(18:1) | 0.3038 | 0.4583 | 0.4348 | 0.5909 | 0.4515 | 1.4484 | 1.3207 | 1.8919 | 1.8071 | 1.2925 |
| LPC(18:2/0:0) | 0.0834 | 0.0891 | 0.1023 | 0.1125 | 0.0532 | 2.1435 | 1.5573 | 1.2636 | 2.1298 | 2.4653 |
| LPC(19:0) | 0.0340 | 0.0221 | 0.0338 | 0.0238 | 0.2097 | 1.7945 | 1.9012 | 1.6576 | 2.2066 | 1.9555 |
| LPC(22:6) | 2.1408 | 1.5089 | 1.5176 | 1.7917 | 2.8815 | 0.0383 | 0.0345 | 0.0348 | 0.0287 | 0.0231 |
| LPC(O-20:0) | 1.4333 | 0.3905 | 0.4286 | 0.5218 | 2.9198 | 0.6912 | 0.4427 | 1.3574 | 0.8261 | 0.9885 |
| LPC(O-22:1) | 1.6885 | 0.2561 | 0.2725 | 0.3521 | 5.8673 | 0.2449 | 0.1139 | 0.2784 | 0.2456 | 0.2926 |
| LPE(18:1(9Z)/0:0) | 0.5558 | 1.2861 | 1.0652 | 1.5035 | 0.6892 | 1.1109 | 0.7864 | 0.8053 | 1.2016 | 0.9960 |
| LPE(P-16:0) | 2.0331 | 0.5542 | 0.6655 | 0.7809 | 5.7940 | 0.0243 | 0.0321 | 0.0332 | 0.0527 | 0.0300 |
| LPG(18:1(9Z)) | 0.5807 | 1.7198 | 1.1288 | 1.5217 | 0.5258 | 0.7323 | 1.0368 | 1.0215 | 0.7591 | 0.9735 |
| LPI(18:0) | 0.8786 | 0.9467 | 1.3883 | 1.3042 | 1.1065 | 0.5871 | 0.8406 | 0.8730 | 1.3842 | 0.6908 |
| LPI(18:2) | 0.0961 | 0.3339 | 0.3023 | 0.2829 | 0.1042 | 1.8490 | 0.7514 | 0.8816 | 3.1641 | 2.2345 |
| LPI(20:4) | 0.1425 | 0.2555 | 0.2658 | 0.2677 | 0.1692 | 1.9759 | 1.1802 | 1.4028 | 2.0320 | 2.3084 |
| L-Serine methyl ester | 1.3023 | 1.1899 | 1.3344 | 1.3088 | 2.0568 | 0.6396 | 0.3819 | 0.3811 | 0.4028 | 1.0025 |
| Luotonin F | 2.6496 | 2.0818 | 1.4236 | 1.6196 | 0.5699 | 0.0181 | 0.4302 | 0.5708 | 0.1988 | 0.0512 |
| Lys-Ala | 2.2909 | 1.5064 | 1.9764 | 1.5332 | 0.5818 | 0.3587 | 0.3977 | 0.5396 | 0.3570 | 0.4584 |
| Lysine | 0.3806 | 0.8601 | 0.8557 | 0.9151 | 0.4987 | 1.6581 | 1.3122 | 1.1182 | 1.0252 | 1.3763 |
| Lysionotin | 0.3475 | 0.1903 | 0.1234 | 0.2616 | 0.3393 | 1.6832 | 1.7486 | 1.9348 | 1.3555 | 2.0158 |
| Lys-Leu | 2.1279 | 1.0881 | 1.4187 | 1.1678 | 0.9052 | 0.4480 | 1.0568 | 0.7984 | 0.5981 | 0.3911 |
| LysoPC(0:0/18:0) | 1.7406 | 2.1491 | 1.9287 | 2.4135 | 0.9419 | 0.2956 | 0.0798 | 0.0943 | 0.2572 | 0.0994 |
| LysoPC(18:3(6Z,9Z,12Z)) | 0.4137 | 0.5385 | 0.5319 | 0.6470 | 0.3146 | 1.4056 | 1.6607 | 1.5515 | 1.3422 | 1.5944 |
| LysoPC(22:1(13Z)) | 1.1692 | 0.8678 | 0.9941 | 2.2896 | 1.3929 | 0.5334 | 0.5269 | 0.7753 | 0.8415 | 0.6093 |
| LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)) | 0.3837 | 0.2628 | 0.2704 | 0.3220 | 0.5350 | 2.4867 | 0.6026 | 0.6729 | 3.6970 | 0.7670 |
| LysoPC(24:1(15Z)) | 0.6794 | 0.4026 | 0.5544 | 1.3956 | 0.7973 | 1.2203 | 1.0293 | 1.2558 | 1.3597 | 1.3057 |
| Lys-Val | 0.7429 | 0.4730 | 0.5544 | 0.4564 | 0.3131 | 1.3339 | 1.6500 | 1.2592 | 1.8663 | 1.3509 |
| Mangiferdesmethylursanone | 0.2845 | 0.3217 | 0.4366 | 0.3799 | 0.3537 | 1.2411 | 1.7376 | 2.2922 | 1.6883 | 1.2645 |
| Maslinic_acid_3-O-b-D-glucoside | 0.5461 | 0.4873 | 0.5745 | 0.4250 | 0.5298 | 1.5191 | 1.4981 | 1.5018 | 1.4352 | 1.4831 |
| MeAIB | 1.0257 | 1.9884 | 2.1968 | 2.3635 | 1.5078 | 0.1933 | 0.1499 | 0.2490 | 0.1682 | 0.1574 |
| Melatonin | 1.2560 | 1.7671 | 1.0806 | 1.8340 | 0.3766 | 1.1514 | 0.9947 | 0.0886 | 1.1238 | 0.3272 |
| Mesotrione | 0.2212 | 0.2582 | 0.2355 | 0.2356 | 0.2489 | 1.6144 | 1.7444 | 1.9933 | 1.7560 | 1.6925 |
| Methanone, [1-(5-fluoropentyl)-6-nitro-1H-indol-3-yl]-1-naphthalenyl- | 0.4339 | 0.4213 | 0.6230 | 0.5623 | 1.1193 | 1.7782 | 0.7981 | 0.7235 | 0.8218 | 2.7187 |
| Methionine | 0.6612 | 1.2845 | 1.4835 | 1.7544 | 1.1783 | 0.8712 | 0.5122 | 0.2992 | 0.8672 | 1.0882 |
| Methionine sulfoxide | 0.8353 | 0.7593 | 0.9145 | 1.3634 | 1.2056 | 0.8790 | 0.8083 | 0.4422 | 1.2853 | 1.5070 |
| Methocarbamol | 0.4297 | 2.2882 | 2.4836 | 1.9698 | 0.7909 | 0.2381 | 0.5699 | 0.5953 | 0.3678 | 0.2667 |
| Methylguanidine | 1.9119 | 1.2830 | 1.4186 | 1.0677 | 1.0720 | 0.5246 | 0.7991 | 0.4650 | 0.5858 | 0.8724 |
| Methylimidazoleacetic acid | 0.1513 | 0.1566 | 0.1012 | 0.1654 | 0.1747 | 1.4544 | 2.9540 | 2.0623 | 1.4583 | 1.3218 |
| Met-Thr | 2.9450 | 1.1050 | 1.6796 | 1.1086 | 2.7037 | 0.0921 | 0.0920 | 0.0624 | 0.1299 | 0.0816 |
| Miglitol | 1.4154 | 1.4831 | 1.6624 | 1.6568 | 1.8553 | 0.3591 | 0.4378 | 0.5682 | 0.3388 | 0.2231 |
| Miltirone | 1.2105 | 1.0767 | 1.3593 | 1.3307 | 0.6569 | 1.2197 | 0.5868 | 0.5956 | 0.8046 | 1.1592 |
| Mintsulfide | 0.9552 | 1.0435 | 1.2639 | 1.4214 | 1.3604 | 0.7667 | 0.8388 | 0.6913 | 0.8012 | 0.8576 |
| MLS002638110-01!PREDNISOLONE50-24-8 | 0.6572 | 1.1081 | 0.7592 | 1.0322 | 0.3370 | 0.3744 | 2.7179 | 2.0094 | 0.7960 | 0.2086 |
| Moxonidine | 1.8776 | 0.1403 | 0.2510 | 0.3293 | 3.7284 | 0.8727 | 0.5249 | 0.5462 | 0.8913 | 0.8383 |
| Myriocin | 0.8148 | 2.6221 | 1.7655 | 1.0695 | 0.7980 | 0.3428 | 1.0439 | 0.8480 | 0.3458 | 0.3497 |
| N1-Methyl-2-pyridone-5-carboxamide | 0.2037 | 1.6460 | 0.4360 | 0.2620 | 0.3845 | 1.1529 | 3.2742 | 1.2380 | 0.8071 | 0.5955 |
| N1-Methyl-4-pyridone-3-carboxamide | 0.2037 | 1.6460 | 0.4360 | 0.2620 | 0.3845 | 1.1529 | 3.2742 | 1.2380 | 0.8071 | 0.5955 |
| N1,N8-Diacetylspermidine | 3.7355 | 1.1268 | 0.8343 | 3.4796 | 0.6514 | 0.0245 | 0.0433 | 0.0570 | 0.0240 | 0.0236 |
| N2,N2-Dimethylguanosine | 0.6589 | 1.7240 | 2.0698 | 3.1988 | 1.6890 | 0.1175 | 0.1351 | 0.1211 | 0.1755 | 0.1102 |
| N4-Acetylcytidine | 0.0497 | 0.1391 | 0.1810 | 0.1721 | 0.0871 | 1.2370 | 2.5158 | 3.0030 | 1.8216 | 0.7934 |
| N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide | 0.8036 | 1.3679 | 1.9303 | 2.1738 | 3.0816 | 0.0827 | 0.1629 | 0.1632 | 0.1254 | 0.1085 |
| N5-(1-Iminoethyl)-L-ornithine | 0.9686 | 1.1107 | 1.0449 | 1.2804 | 0.4416 | 0.7700 | 1.2358 | 1.4164 | 0.9497 | 0.7819 |
| N6,N6,N6-Trimethyllysine | 0.4580 | 1.1364 | 0.9021 | 0.9115 | 0.5698 | 0.8170 | 1.7444 | 1.5267 | 1.2180 | 0.7161 |
| N-Acetylaspartylglutamate (NAAG) | 0.4690 | 0.9022 | 2.4645 | 1.5803 | 0.3665 | 0.6276 | 0.9386 | 0.9862 | 0.7397 | 0.9253 |
| N-Acetyl-D-galactosaminitol | 1.1489 | 1.6230 | 1.6983 | 1.9924 | 2.3432 | 0.1490 | 0.3094 | 0.2906 | 0.2757 | 0.1695 |
| N-Acetylhistamine | 1.1049 | 4.1836 | 2.3315 | 1.4161 | 0.2128 | 0.0605 | 0.2351 | 0.1713 | 0.2348 | 0.0494 |
| N-Acetylhistidine | 0.0532 | 0.0933 | 0.0736 | 0.0597 | 0.0426 | 0.9781 | 3.9301 | 2.4596 | 1.3926 | 0.9173 |
| N-Acetylmannosamine | 0.7423 | 2.7883 | 1.5464 | 1.6335 | 1.6491 | 0.0870 | 0.4647 | 0.3892 | 0.4340 | 0.2655 |
| N-Acetylputrescine | 0.9784 | 2.4410 | 3.3170 | 1.3555 | 0.7905 | 0.1648 | 0.2621 | 0.3513 | 0.2028 | 0.1365 |
| N-Acetylsulfamethoxazole | 1.4855 | 0.7785 | 1.1573 | 1.3700 | 1.4670 | 0.7358 | 0.7592 | 0.7475 | 0.7959 | 0.7033 |
| Nadolol | 0.1855 | 2.5710 | 2.6164 | 1.5482 | 0.2407 | 0.1812 | 0.7705 | 0.8579 | 0.7559 | 0.2320 |
| Na,Na-Dimethylhistamine | 1.9399 | 1.6855 | 1.3089 | 1.3116 | 1.5101 | 0.4735 | 0.4636 | 0.2177 | 0.3848 | 0.7043 |
| N-Arachidonoyldopamine | 1.6514 | 0.3206 | 0.4129 | 0.4805 | 6.8159 | 0.0503 | 0.0425 | 0.0572 | 0.0948 | 0.0738 |
| N-Arachidonoyl-L-serine | 0.2311 | 0.1927 | 0.1715 | 0.2045 | 0.2676 | 1.4329 | 2.1867 | 2.5056 | 1.7013 | 1.1062 |
| N-Demethylmifepristone | 1.2502 | 1.4636 | 1.9085 | 2.7176 | 1.1677 | 0.2417 | 0.3178 | 0.2561 | 0.3730 | 0.3038 |
| Nervonyl carnitine [M] | 0.5507 | 0.7525 | 1.3027 | 1.1012 | 0.5902 | 0.5772 | 1.3546 | 1.8576 | 1.0248 | 0.8884 |
| Nicotinamide | 1.3399 | 1.6104 | 1.8421 | 1.6236 | 2.0624 | 0.2010 | 0.3076 | 0.2416 | 0.3594 | 0.4117 |
| Nicotinamide N-oxide | 0.3709 | 0.5481 | 0.3661 | 0.4789 | 0.5197 | 1.3871 | 1.7552 | 1.2417 | 1.8632 | 1.4691 |
| Nicotinamide riboside (NR) | 0.8499 | 1.3199 | 1.4635 | 1.8136 | 1.3855 | 0.2360 | 0.6104 | 1.4292 | 0.5832 | 0.3088 |
| Nicotinate | 2.5907 | 0.8820 | 0.8980 | 3.4494 | 0.9727 | 0.2732 | 0.1819 | 0.2018 | 0.2245 | 0.3257 |
| N-Methyl-D-aspartic acid | 1.4353 | 1.4098 | 1.3228 | 1.4112 | 1.4989 | 0.9087 | 0.3593 | 0.2937 | 0.5466 | 0.8139 |
| N-Methylglutamic acid | 1.0798 | 0.9942 | 1.1710 | 1.2774 | 1.8233 | 0.8756 | 0.6275 | 0.6237 | 0.6776 | 0.8499 |
| N-Methylglycine N,N-dimethylamide | 1.1112 | 0.6155 | 0.8715 | 0.8477 | 0.9613 | 1.4161 | 0.8954 | 0.9799 | 1.0940 | 1.2073 |
| N-Methyl-L-proline | 1.1854 | 0.7868 | 0.8580 | 0.8264 | 1.0293 | 1.5077 | 0.7130 | 0.7299 | 0.8753 | 1.4881 |
| N-Methyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]amine | 0.8157 | 0.3328 | 0.4230 | 0.4557 | 1.6632 | 2.6188 | 0.7014 | 0.6676 | 0.8149 | 1.5068 |
| N-Methylnicotinamide | 0.5130 | 0.9120 | 0.5436 | 0.3382 | 0.2595 | 1.2174 | 1.7857 | 1.9814 | 1.0436 | 1.4056 |
| N-Methyltrimethylacetamide | 1.3261 | 0.9828 | 1.1166 | 0.9849 | 0.7035 | 0.7440 | 1.2270 | 1.1132 | 1.1042 | 0.6977 |
| N,N-Dimethylarginine (ADMA) | 0.7609 | 1.2202 | 1.6574 | 2.3133 | 0.7671 | 0.7862 | 0.6317 | 0.5861 | 0.6670 | 0.6101 |
| N,N^-Dimethylurea | 0.9856 | 0.6230 | 1.5989 | 0.6367 | 2.0181 | 0.8630 | 0.7566 | 0.4469 | 0.8692 | 1.2019 |
| N-Nitrosopyrrolidine | 0.7874 | 1.6033 | 1.5931 | 1.5367 | 0.9592 | 0.5196 | 0.9193 | 0.9302 | 0.6869 | 0.4642 |
| Nobiletin | 0.1965 | 0.5278 | 0.8793 | 0.6618 | 0.5248 | 1.6816 | 1.3332 | 1.3005 | 1.5719 | 1.3227 |
| N-Oleoyl-D-erythro-sphingosylphosphorylcholine | 0.2027 | 0.4386 | 0.5726 | 0.4193 | 0.4393 | 0.7706 | 2.2498 | 2.4966 | 1.5136 | 0.8970 |
| Nonadecanoylcarnitine (Car(19:0)) | 0.7573 | 1.3239 | 1.6789 | 1.6421 | 0.7406 | 0.2694 | 1.2455 | 1.4758 | 0.5889 | 0.2776 |
| Nonaethylene glycol | 0.3675 | 0.1247 | 0.2754 | 0.2782 | 0.5799 | 1.1588 | 1.6490 | 1.6232 | 1.2836 | 2.5389 |
| Nonenoylcarnitine (Car(9:1)) | 0.6321 | 1.2358 | 1.2640 | 0.8656 | 0.5264 | 1.6597 | 1.0703 | 1.0541 | 0.8805 | 0.8115 |
| Nootkatone | 1.1873 | 1.2436 | 1.1883 | 1.2213 | 1.2618 | 0.6482 | 0.7380 | 0.4931 | 1.1790 | 0.8393 |
| Norharmane | 0.8256 | 0.0495 | 0.1074 | 0.8213 | 0.4301 | 1.4654 | 1.0787 | 0.4709 | 2.5030 | 2.2482 |
| Norleucine | 0.8773 | 1.8868 | 1.9564 | 2.1428 | 1.5351 | 0.2860 | 0.4236 | 0.3349 | 0.2671 | 0.2900 |
| Normetanephrine | 0.9067 | 2.0721 | 2.5074 | 2.6027 | 1.6975 | 0.0407 | 0.0323 | 0.0510 | 0.0375 | 0.0521 |
| Octanoylcarnitine (Car(8:0)) | 0.7047 | 1.1440 | 1.0486 | 0.7063 | 0.5594 | 1.2904 | 1.2518 | 1.0540 | 1.2066 | 1.0343 |
| o-Hydroxybenzylamine | 1.7902 | 1.5687 | 1.4103 | 1.4713 | 1.2363 | 1.3626 | 0.1741 | 0.1106 | 0.0975 | 0.1940 |
| Ophthalmic acid | 1.3748 | 0.7882 | 0.9483 | 0.5684 | 2.4597 | 0.1802 | 1.3954 | 1.5794 | 0.5622 | 0.1435 |
| Ornithine | 0.2352 | 0.3959 | 0.4357 | 0.4134 | 0.3807 | 2.2511 | 1.8650 | 2.0029 | 1.1374 | 0.8827 |
| O-t-Butyl-L-threonine methyl ester | 0.7059 | 1.2747 | 1.7152 | 1.5827 | 1.9736 | 0.3799 | 0.9076 | 0.5360 | 0.5565 | 0.3680 |
| Ouabain | 0.7857 | 0.4921 | 1.1800 | 0.4040 | 2.2154 | 0.5045 | 0.7460 | 1.2094 | 0.5642 | 1.7209 |
| Oxodecanoylcarnitine (Car(10:1-O)) | 0.7384 | 1.3328 | 1.3022 | 1.0086 | 1.2299 | 0.7391 | 1.2668 | 1.0258 | 0.8668 | 0.4897 |
| Oxodecenoylcarnitine (Car(10:2-O)) | 0.9525 | 1.1872 | 1.0198 | 1.7097 | 2.4402 | 0.3870 | 0.8043 | 0.6693 | 0.4972 | 0.3326 |
| Oxohexadecadienoylcarnitine (Car(16:3-O)) | 0.1816 | 4.1825 | 1.6146 | 1.4024 | 0.3339 | 0.5109 | 0.4883 | 0.3449 | 0.2650 | 0.4683 |
| Oxononanoylcarnitine (Car(9:1-O)) | 0.4944 | 0.9688 | 0.9774 | 0.6714 | 0.8748 | 1.3893 | 1.5354 | 1.0569 | 0.9031 | 1.1285 |
| Oxopalmitoleylcarnitine (Car(16:2-O)) | 0.6423 | 1.6967 | 1.6085 | 0.9530 | 0.5434 | 0.6390 | 1.2913 | 1.4895 | 0.6678 | 0.4686 |
| Oxopalmitoylcarnitine (Car(16:1-O)) | 0.8827 | 1.6514 | 1.7073 | 1.1989 | 0.6966 | 0.3791 | 1.4700 | 1.1407 | 0.5969 | 0.2762 |
| Oxotridecenoylcarnitine (Car(13:2-O)) | 0.3226 | 1.7907 | 0.7311 | 0.4160 | 0.7336 | 1.3195 | 1.7065 | 1.4979 | 0.7942 | 0.6880 |
| Palmitamide | 0.7076 | 0.5801 | 0.5063 | 0.5645 | 1.1533 | 0.7178 | 1.2549 | 1.3590 | 1.9733 | 1.1831 |
| Palmitoleylcarnitine (Car(16:1)) | 1.1594 | 1.3167 | 1.1374 | 0.8532 | 1.7895 | 0.4273 | 1.3356 | 1.0569 | 0.6309 | 0.2931 |
| Palmitoylcarnitine (Car(16:0)) | 1.2702 | 1.9815 | 2.0518 | 1.6536 | 1.8054 | 0.1342 | 0.3980 | 0.3553 | 0.2418 | 0.1084 |
| Palmitoyleicosapentaenoyl phosphatidylcholine | 0.1374 | 0.0962 | 0.1955 | 0.2710 | 0.1455 | 1.8485 | 1.7173 | 1.6129 | 1.8913 | 2.0844 |
| Palmitoyl sphingomyelin | 0.0012 | 0.0039 | 0.0043 | 0.0059 | 0.0052 | 1.1062 | 2.8188 | 2.9413 | 1.9731 | 1.1400 |
| PC(14:0/16:0) | 2.0331 | 1.1483 | 1.7562 | 2.3108 | 1.7047 | 0.2485 | 0.1954 | 0.1608 | 0.2198 | 0.2225 |
| PC(15:0/20:1(11Z)) | 0.2789 | 0.3310 | 0.3933 | 0.5585 | 0.3569 | 1.6724 | 1.2998 | 1.7511 | 1.8658 | 1.4923 |
| PC(15:0/22:4(7Z,10Z,13Z,16Z)) | 0.4088 | 0.3589 | 0.3863 | 0.4145 | 0.4596 | 2.0642 | 1.2678 | 1.3726 | 1.4418 | 1.8254 |
| PC(15:0/P-18:1(11Z)) | 0.4921 | 0.4708 | 0.6006 | 0.5252 | 0.8368 | 1.5201 | 0.9074 | 1.0648 | 1.9202 | 1.6620 |
| PC(16:0/16:0) | 0.1860 | 0.7728 | 1.3696 | 0.8124 | 1.4168 | 1.2462 | 0.9349 | 0.8758 | 1.2128 | 1.1727 |
| PC(16:0/16:1(9Z)) | 0.9214 | 1.8738 | 1.5210 | 1.9614 | 0.8489 | 0.7228 | 0.5146 | 0.5646 | 0.5953 | 0.4761 |
| PC(16:0/18:1(9Z)) | 0.0761 | 0.3463 | 0.5359 | 0.4413 | 0.3794 | 1.6636 | 1.7294 | 1.8716 | 1.7174 | 1.2389 |
| PC(16:0/20:4) | 1.1993 | 1.7956 | 2.0614 | 1.8574 | 1.1871 | 0.2199 | 0.3222 | 0.3448 | 0.6707 | 0.3415 |
| PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.2727 | 0.4310 | 0.4818 | 0.5775 | 0.2888 | 2.1510 | 1.4979 | 1.4935 | 1.4720 | 1.3337 |
| PC(18:0) | 1.1620 | 0.4946 | 0.4613 | 0.6171 | 2.9103 | 0.8394 | 0.7815 | 0.6992 | 1.0005 | 1.0341 |
| PC(18:0/14:0) | 0.8680 | 0.8510 | 5.0765 | 0.8155 | 0.9978 | 0.1167 | 0.5045 | 0.3776 | 0.2129 | 0.1795 |
| PC(18:0/18:1(9Z)) | 0.0027 | 0.0068 | 0.0189 | 0.0073 | 0.0020 | 1.6880 | 2.0452 | 2.1066 | 2.1903 | 1.9323 |
| PC(18:1(11Z)/15:0) | 1.2017 | 0.8472 | 0.9989 | 1.5274 | 1.2879 | 1.0367 | 0.6968 | 0.6925 | 1.0026 | 0.7083 |
| PC(18:1(6Z)/18:1(6Z)) | 0.0351 | 0.0161 | 0.0299 | 0.0223 | 0.0123 | 2.0627 | 1.4435 | 1.7405 | 2.9869 | 1.6507 |
| PC(18:1(9Z)/18:1(9Z)) | 0.0242 | 0.0339 | 0.0288 | 0.0403 | 0.0294 | 2.0542 | 1.4375 | 1.7334 | 2.9746 | 1.6439 |
| PC(18:1(9Z)/P-18:0) | 0.8995 | 0.8684 | 1.2485 | 1.3499 | 1.0314 | 0.6595 | 1.2657 | 0.8561 | 0.9594 | 0.8617 |
| PC(18:2(9Z,12Z)/P-16:0) | 0.8181 | 1.4587 | 1.9084 | 1.6005 | 0.6786 | 0.8382 | 0.5346 | 0.6212 | 0.8567 | 0.6850 |
| PC(18:3(6Z,9Z,12Z)/15:0) | 0.5955 | 0.7001 | 0.8196 | 0.8466 | 0.4592 | 1.1361 | 1.5420 | 1.5645 | 1.2531 | 1.0833 |
| PC(18:3(6Z,9Z,12Z)/18:0) | 0.0335 | 0.1521 | 0.0826 | 0.1158 | 0.0275 | 0.8520 | 3.1462 | 3.2730 | 1.3952 | 0.9221 |
| PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) | 0.0778 | 0.1955 | 0.3147 | 0.5906 | 1.8931 | 1.5647 | 1.3725 | 1.3853 | 1.2925 | 1.3133 |
| PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) | 0.6971 | 1.4199 | 0.5777 | 0.8087 | 0.2147 | 0.5881 | 1.1535 | 3.3935 | 0.6819 | 0.4649 |
| PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) | 0.0885 | 0.1689 | 0.1655 | 0.2495 | 0.0613 | 0.9461 | 0.7143 | 4.1390 | 2.9071 | 0.5598 |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0) | 1.7670 | 1.2190 | 1.3485 | 1.7834 | 1.7110 | 0.3607 | 0.4220 | 0.5055 | 0.5152 | 0.3677 |
| PC(22:2) | 0.6485 | 0.8285 | 1.0428 | 1.0002 | 1.0267 | 1.5318 | 0.8176 | 0.9614 | 1.1100 | 1.0326 |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) | 0.8968 | 1.0938 | 1.1548 | 1.0421 | 0.9584 | 0.8949 | 0.8581 | 1.0559 | 1.0931 | 0.9521 |
| PC(31:0) | 0.1650 | 1.0474 | 0.5215 | 1.3605 | 2.6255 | 0.7165 | 0.5575 | 0.5871 | 0.6239 | 0.3555 |
| PC(34:3) | 0.2602 | 0.3283 | 0.7169 | 0.4017 | 0.0843 | 2.1477 | 1.4588 | 1.7473 | 1.4798 | 1.3749 |
| PC(37:4) | 0.7077 | 0.4887 | 0.5016 | 0.5162 | 1.2376 | 1.7416 | 1.1508 | 1.2438 | 1.1339 | 1.2779 |
| PC(37:6) | 0.5259 | 0.7765 | 1.3159 | 0.5241 | 0.6746 | 0.6534 | 1.2250 | 1.6307 | 1.1263 | 1.5476 |
| PC(40:7) | 0.4121 | 0.9990 | 1.4991 | 1.1827 | 0.4624 | 0.3774 | 1.0914 | 2.8164 | 0.7137 | 0.4457 |
| PC(42:10) | 0.0965 | 0.0467 | 0.0991 | 0.0903 | 0.0729 | 2.1703 | 1.7971 | 1.8968 | 1.8102 | 1.6109 |
| PC(42:5) | 0.4349 | 0.3032 | 0.3112 | 0.4501 | 0.4987 | 1.5069 | 1.0556 | 1.6239 | 1.9315 | 1.8841 |
| PC(P-16:0/0:0) | 1.9354 | 0.2479 | 0.4192 | 0.3880 | 6.6032 | 0.0698 | 0.0762 | 0.0984 | 0.0824 | 0.0796 |
| PC(P-18:1(9Z)/0:0) | 2.3115 | 0.3170 | 0.4746 | 0.4315 | 5.2922 | 0.1865 | 0.2234 | 0.3667 | 0.1752 | 0.2213 |
| PC(P-32:0) | 0.7766 | 0.5457 | 1.4719 | 1.1169 | 1.1910 | 1.0468 | 0.6687 | 0.7122 | 1.2285 | 1.2417 |
| PE(18:0/18:2) | 0.1288 | 0.0706 | 0.3000 | 0.1058 | 0.0300 | 2.2042 | 1.6588 | 1.5018 | 2.0958 | 1.9042 |
| PE(18:3(9Z,12Z,15Z)/P-18:1(9Z)) | 1.3158 | 0.8383 | 1.5474 | 1.0330 | 1.2511 | 0.8928 | 0.6183 | 0.6727 | 1.0045 | 0.8261 |
| Pehanorm | 0.5324 | 1.4007 | 2.4988 | 1.1488 | 0.5895 | 0.9218 | 0.7227 | 0.7091 | 0.7185 | 0.7578 |
| Peimine | 1.2477 | 0.0477 | NA | 0.1188 | 5.4796 | 0.0594 | 0.2387 | 0.4238 | 0.1671 | 0.0361 |
| Pentaethylene glycol | 0.7347 | 1.1091 | 2.1543 | 1.0693 | 1.5332 | 1.0486 | 0.6345 | 0.6509 | 0.4255 | 0.6399 |
| Persicachrome | 1.3109 | 2.1075 | 1.9940 | 1.1393 | 1.4209 | 0.0507 | 0.2052 | 0.2098 | 0.0973 | 0.0898 |
| Phenylalanine | 0.4865 | 1.0721 | 1.4108 | 1.4527 | 0.7504 | 0.6430 | 1.1256 | 1.0438 | 0.9339 | 1.0811 |
| Phenylethylmalonamide | 0.1398 | 0.4257 | 0.6283 | 0.5586 | 0.1877 | 2.5506 | 1.1305 | 0.7282 | 1.6384 | 2.0122 |
| Phe-Pro | 2.3310 | 1.0771 | 1.3716 | 1.3546 | 1.8339 | 0.1789 | 0.5911 | 0.6954 | 0.3672 | 0.1991 |
| Phosphate | 1.6094 | 2.0111 | 2.0346 | 2.1850 | 2.1415 | 0.0035 | 0.0029 | 0.0040 | 0.0031 | 0.0047 |
| Phosphonic acid, P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]- | 0.9305 | 1.4482 | 1.4988 | 3.5192 | 2.3675 | 0.0455 | 0.0431 | 0.0485 | 0.0521 | 0.0467 |
| Phosphorylcholine | 1.5366 | 1.6130 | 2.0576 | 2.3256 | 2.4626 | 0.0011 | 0.0006 | 0.0007 | 0.0011 | 0.0010 |
| Piericidin C1 | 0.3434 | 0.2565 | 0.3337 | 0.3502 | 0.8589 | 1.1657 | 1.4870 | 1.6460 | 1.3186 | 2.2399 |
| Pipecolic acid | 1.0796 | 1.5200 | 1.0728 | 1.9599 | 1.4810 | 0.5136 | 0.6715 | 0.3608 | 0.5284 | 0.8124 |
| Piperazine-2-carboxylic acid | 0.2996 | 0.5501 | 0.1935 | 0.2986 | 0.2202 | 2.2912 | 1.0796 | 0.3988 | 1.7982 | 2.8701 |
| PODOFILOX | 2.9552 | 0.0835 | 1.1672 | 2.2813 | 1.6147 | 0.6119 | 0.5579 | 0.5181 | 0.5022 | 0.3959 |
| Polyoxyethylene_(600)_mono-_ricinoleate | 0.4706 | 1.5509 | 1.2272 | 1.2971 | 1.4499 | 0.7043 | 1.1608 | 0.7538 | 0.8817 | 0.7627 |
| Pro-Leu | 0.6380 | 1.1457 | 1.1591 | 1.0688 | 1.0274 | 0.6357 | 1.3782 | 1.1713 | 0.8672 | 0.9088 |
| Proline | 1.0543 | 1.6664 | 1.8772 | 2.0767 | 1.8209 | 0.3268 | 0.2475 | 0.1926 | 0.4014 | 0.3363 |
| Prolylhydroxyproline | 0.3110 | 1.1584 | 1.2515 | 0.8525 | 0.7384 | 0.7460 | 1.4070 | 1.6917 | 1.2245 | 0.6189 |
| Prolyl-Tyrosine | 1.0782 | 1.0709 | 1.2090 | 1.0607 | 2.2111 | 0.5758 | 0.4408 | 0.2452 | 1.1212 | 0.9870 |
| Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl- | 1.2489 | 0.1709 | 0.2533 | 0.2307 | 2.8502 | 0.9943 | 1.2434 | 0.8888 | 0.9388 | 1.1806 |
| Propionylcarnitine (Car(3:0)) | 1.8998 | 1.1104 | 2.1946 | 1.3356 | 2.6346 | 0.1652 | 0.1410 | 0.1033 | 0.2359 | 0.1796 |
| Pro-Pro | 1.1242 | 1.8029 | 1.9487 | 2.8268 | 1.7645 | 0.0487 | 0.1352 | 0.1167 | 0.1854 | 0.0470 |
| Pro-Thr | 2.1960 | 1.9504 | 2.1684 | 1.8789 | 1.0338 | 0.1015 | 0.1940 | 0.2007 | 0.1859 | 0.0903 |
| Pyridine, 2,2^,2^^,2^^^-[ethylenebis(nitrilodimethylene)]tetra- | 1.8049 | 1.2719 | 1.2563 | 0.5277 | 2.0160 | 0.7760 | 0.7983 | 0.4266 | 0.5815 | 0.5047 |
| Pyridoxal (Vitamin B6) | 0.8702 | 1.5779 | 1.8317 | 2.5168 | 1.1193 | 0.6136 | 0.2689 | 0.2759 | 0.4258 | 0.4999 |
| Pyrrolidine | 1.1681 | 2.0514 | 2.2904 | 2.4235 | 1.5143 | 0.1459 | 0.0828 | 0.0797 | 0.1174 | 0.1265 |
| Quinidine | 1.5226 | 1.4204 | 1.4164 | 1.2660 | 1.6619 | 0.4899 | 0.4376 | 0.5175 | 0.5849 | 0.6828 |
| Reserpine | 0.6782 | 0.7286 | 0.8587 | 1.3954 | 1.4259 | 0.1898 | 0.7675 | 2.7807 | 0.9799 | 0.1264 |
| Riboflavin | 0.6483 | 1.5885 | 1.5719 | 2.0295 | 0.8542 | 0.6159 | 0.7801 | 0.6387 | 0.6372 | 0.6359 |
| Ricinine | 3.7523 | 1.0564 | 1.3262 | 1.5011 | 1.1597 | 0.4535 | 0.1790 | 0.1665 | 0.1905 | 0.2148 |
| Ricinoleic acid methyl ester | 0.2388 | 0.4822 | 0.4445 | 0.5585 | 0.4539 | 1.4798 | 1.4455 | 1.1954 | 1.8590 | 1.5694 |
| S-Adenosylmethionine | 1.0011 | 1.7509 | 1.7652 | 1.7460 | 2.1587 | 0.4080 | 0.3620 | 0.3226 | 0.2536 | 0.2317 |
| Sarcosine | 1.7832 | 1.4905 | 1.7457 | 2.3058 | 2.3918 | 0.0431 | 0.0595 | 0.0853 | 0.0515 | 0.0436 |
| Serine | 0.6931 | 1.2950 | 1.5924 | 1.8847 | 1.2210 | 0.6892 | 0.6165 | 0.6017 | 0.7113 | 0.6951 |
| Serine-Cholic Acid | 0.5703 | 0.7427 | 1.9794 | 3.0762 | 1.2807 | 0.3283 | 0.4618 | 0.4535 | 0.3606 | 0.7465 |
| Serotonin | 0.4926 | 2.0633 | 2.1920 | 1.4615 | 0.9108 | 0.9622 | 0.3130 | 0.1374 | 0.7655 | 0.7017 |
| S-Formylglutathione | 2.1663 | 0.5307 | 0.8457 | 1.0535 | 2.6774 | 0.6171 | 0.4684 | 0.4773 | 0.5805 | 0.5832 |
| SM(d16:1/24:1(15Z)) | 0.7436 | 0.9816 | 1.3751 | 0.9373 | 1.4866 | 0.7751 | 0.9053 | 0.9143 | 1.0252 | 0.8559 |
| SM(d17:1/24:1(15Z)) | 0.1205 | 0.1374 | 0.1863 | 0.1329 | 0.1781 | 2.2760 | 1.4016 | 1.1652 | 1.7050 | 2.6971 |
| SM(d18:0/16:0) | 0.7038 | 1.1222 | 1.5026 | 1.3332 | 1.1075 | 0.1805 | 1.7555 | 1.3904 | 0.7047 | 0.1997 |
| SM(d18:0/18:0) | 0.5958 | 0.9982 | 1.5725 | 0.8759 | 1.0416 | 0.2841 | 1.8711 | 1.6035 | 0.8412 | 0.3161 |
| SM(d18:1/17:0) | 0.1582 | 0.2750 | 0.3315 | 0.2928 | 0.2491 | 1.2042 | 2.2188 | 2.1896 | 1.7462 | 1.3345 |
| SM(d18:1/18:0) | 0.7896 | 1.3411 | 1.6192 | 1.1889 | 1.3687 | 0.2393 | 1.2108 | 1.3359 | 0.6195 | 0.2870 |
| SM(d18:1/20:0) | 1.3889 | 1.5660 | 2.2410 | 1.4310 | 3.3081 | 0.0102 | 0.0129 | 0.0196 | 0.0109 | 0.0114 |
| SM(d18:1/22:0) | 0.7687 | 0.7414 | 1.0154 | 0.5873 | 1.7128 | 0.7173 | 1.5615 | 1.0295 | 1.2000 | 0.6662 |
| SM(d34:1) | 0.0070 | 0.0047 | 0.0119 | 0.0026 | 0.0021 | 0.8510 | 2.4352 | 3.8578 | 1.7447 | 1.0829 |
| sn-Glycerol 3-phosphate | 1.6858 | 0.6341 | 0.6296 | 0.4586 | 5.6623 | 0.1388 | 0.2139 | 0.2163 | 0.2410 | 0.1196 |
| Sorbose | 0.0472 | 0.0888 | 0.1254 | 0.1485 | 0.0914 | 2.9430 | 0.9521 | 0.9205 | 1.6471 | 3.0359 |
| Sph(d18:0) | 0.6114 | 2.6518 | 1.7766 | 1.4948 | 2.2140 | 0.2015 | 0.2636 | 0.2493 | 0.3436 | 0.1935 |
| Sph(d18:2) | 1.1666 | 1.6075 | 1.6336 | 1.6217 | 1.9264 | 0.3889 | 0.3720 | 0.2178 | 0.6153 | 0.4503 |
| Sphingosine | 0.5471 | 1.7159 | 1.4959 | 1.5487 | 1.0532 | 0.6413 | 0.6493 | 0.4497 | 1.1665 | 0.7323 |
| Stachydrine | 0.6034 | 0.2046 | 0.2376 | 0.6150 | 0.6582 | 2.2562 | 0.8365 | 0.7783 | 1.2687 | 2.5414 |
| Statine | 1.3113 | 1.6737 | 2.1410 | 2.1463 | 2.4742 | 0.0522 | 0.0509 | 0.0491 | 0.0533 | 0.0480 |
| Succinamide | 1.8860 | 1.6192 | 1.8959 | 2.3326 | 1.5387 | 0.1257 | 0.1407 | 0.1380 | 0.1973 | 0.1258 |
| Tandutinib | 0.0250 | 3.7133 | 0.7334 | 0.2608 | 0.0188 | 0.5471 | 1.7396 | 1.1343 | 0.6326 | 0.4997 |
| Tanshinone I | 0.5403 | 0.0292 | 0.2022 | 0.2033 | 0.5327 | 1.2322 | 0.7929 | 0.7831 | 3.4545 | 1.9060 |
| taspine | 0.4334 | 0.2598 | 0.2699 | 0.3165 | 0.9324 | 1.9976 | 1.1350 | 0.9014 | 1.5170 | 2.2369 |
| Taurine | 0.9987 | 1.2306 | 1.3198 | 1.3993 | 1.3844 | 0.5054 | 0.9775 | 0.8994 | 0.7877 | 0.4973 |
| Taurochenodeoxycholic acid | 0.1144 | 0.9484 | 0.3463 | 0.1059 | 0.1706 | 1.6930 | 2.3004 | 1.0617 | 0.8132 | 2.1583 |
| Taurodeoxycholic acid | 0.1668 | 3.4657 | 1.4829 | 0.2722 | 0.1179 | 0.9334 | 1.2683 | 0.5854 | 0.4483 | 1.1900 |
| Taurohyodeoxycholic acid | 0.1668 | 3.4657 | 1.4829 | 0.2722 | 0.1179 | 0.9334 | 1.2683 | 0.5854 | 0.4483 | 1.1900 |
| Telmisartan | 0.6774 | 0.3181 | 0.4529 | 0.5055 | 1.3922 | 0.9734 | 1.1865 | 1.4194 | 1.1358 | 1.9390 |
| Terfenadine | 0.2246 | 1.7284 | 1.7729 | 0.8766 | 0.1511 | 0.3274 | 2.0738 | 2.1748 | 0.3777 | 0.2928 |
| Tetradecenedioylcarnitine (Car(14:1-O2)) | 0.4154 | 1.6776 | 1.0136 | 0.6608 | 0.5896 | 1.1630 | 1.2827 | 0.9376 | 1.2529 | 1.0068 |
| Tetradecenoylcarnitine (Car(14:1)) | 0.3658 | 0.8653 | 0.5159 | 0.3632 | 0.6791 | 1.1385 | 2.1872 | 1.7227 | 1.4221 | 0.7402 |
| Tetradecylamine | 1.7778 | 1.2894 | 2.3740 | 1.5939 | 2.4530 | 0.0413 | 0.0984 | 0.0730 | 0.0548 | 0.0899 |
| Tetraethylammonium cation | 1.7209 | 1.7173 | 1.6917 | 1.8031 | 1.7302 | 0.2511 | 0.2727 | 0.2776 | 0.2849 | 0.2505 |
| Tetraethylene glycol | 0.6979 | 0.8514 | 1.4385 | 1.1986 | 1.1235 | 1.0691 | 0.9928 | 0.8205 | 0.8622 | 0.9454 |
| Tetramethylthiourea | 3.2881 | 2.0283 | 1.7335 | 1.8593 | 0.9341 | 0.0295 | 0.0459 | 0.0204 | 0.0315 | 0.0295 |
| Thiamine | 1.2326 | 1.2629 | 1.6832 | 2.5656 | 2.0863 | 0.2640 | 0.2054 | 0.1746 | 0.2231 | 0.3021 |
| Threonine | 0.7007 | 0.8729 | 1.0091 | 1.5409 | 0.8959 | 0.9220 | 1.0013 | 0.8914 | 1.1668 | 0.9989 |
| TOPIRAMATE | 0.0764 | 0.1094 | 0.0995 | 0.1174 | 0.1710 | 2.1018 | 1.6822 | 1.7169 | 2.0965 | 1.8288 |
| Trabectedin | 1.3956 | 0.0544 | 0.1228 | 0.1864 | 1.2747 | 1.6347 | 0.8292 | 0.8332 | 1.7387 | 1.6151 |
| trans-Zeatin | 0.5182 | 2.5136 | 2.5071 | 1.9451 | 0.9819 | 0.1897 | 0.4166 | 0.4117 | 0.2668 | 0.2495 |
| Trichodermamide C | 1.6166 | 2.4137 | 2.3555 | 2.1785 | 0.8098 | 0.1170 | 0.1327 | 0.1326 | 0.1265 | 0.1172 |
| Tridecenoylcarnitine (Car(13:1)) | 0.6670 | 2.1945 | 1.3950 | 0.8630 | 0.8242 | 1.3067 | 0.8428 | 0.7409 | 0.6599 | 0.5059 |
| Trigonelline | 0.1706 | 0.1743 | 0.1727 | 0.2087 | 0.3326 | 1.7292 | 1.4841 | 1.1135 | 2.0368 | 2.5775 |
| Trimethylamine N-oxide | 0.6713 | 0.1391 | 0.1719 | 0.6521 | 1.1233 | 1.2322 | 1.3576 | 0.5126 | 2.1250 | 2.0147 |
| Triphenylphosphine oxide | 0.4288 | 2.9313 | 1.7806 | 2.2088 | 0.5778 | 0.3572 | 0.2783 | 0.1580 | 0.6984 | 0.5808 |
| Tris(2,4-di-tert-butylphenyl)phosphate | 0.4476 | 0.6920 | 0.5585 | 0.8458 | 1.0583 | 1.2377 | 1.2764 | 1.5038 | 1.2015 | 1.1785 |
| Tryptophan | 0.3624 | 1.3543 | 1.7495 | 1.8830 | 1.5099 | 0.5517 | 0.4819 | 0.4630 | 0.5719 | 1.0724 |
| Tyrosine | 0.5743 | 1.8970 | 2.8386 | 2.5044 | 1.7871 | 0.0839 | 0.0592 | 0.0542 | 0.1065 | 0.0949 |
| Tyr-Val | 1.7857 | 1.0108 | 1.5927 | 1.1626 | 2.6298 | 0.3184 | 0.2490 | 0.1357 | 0.5845 | 0.5307 |
| Umbelliferyl arachidonate | 1.2150 | 2.7356 | 1.7585 | 2.3237 | 1.4085 | 0.0819 | 0.1167 | 0.0675 | 0.1025 | 0.1902 |
| Undecenedioylcarnitine (Car(11:1-O2)) | 0.5905 | 0.3696 | 1.8852 | 3.3957 | 0.7036 | 1.1573 | 0.2634 | 0.2083 | 0.3665 | 0.0371 |
| Uridine | 0.8988 | 1.0557 | 0.9611 | 0.9423 | 1.4012 | 1.0368 | 0.7229 | 0.8589 | 1.0755 | 1.0468 |
| Urocanic acid | 0.0356 | 0.1070 | 0.0546 | 0.0528 | 0.0310 | 1.7853 | 2.9917 | 1.0513 | 1.1216 | 2.7693 |
| Valdecoxib | 0.9009 | 0.9418 | 0.6371 | 0.8270 | 0.5853 | 0.0387 | 5.8817 | 0.0423 | 0.0595 | 0.0857 |
| Valerylcarnitine | 1.3438 | 1.7350 | 2.9773 | 1.8384 | 1.3938 | 0.1367 | 0.1558 | 0.0990 | 0.1738 | 0.1465 |
| Val-Gln | 1.2104 | 1.4367 | 1.9957 | 1.8811 | 1.2472 | 0.5675 | 0.2292 | 0.2488 | 0.5460 | 0.6374 |
| Val-Gly | 0.8480 | 0.6493 | 0.2333 | 0.7556 | 0.4049 | 0.0742 | 2.9129 | 1.4833 | 1.6194 | 1.0190 |
| Valine | 1.0257 | 1.9884 | 2.1968 | 2.3635 | 1.5078 | 0.1933 | 0.1499 | 0.2490 | 0.1682 | 0.1574 |
| Varenicline | 1.3128 | 1.0066 | 1.5862 | 1.4000 | 2.0740 | 0.1237 | 0.8445 | 0.9385 | 0.1711 | 0.3603 |
| Xanthurenic acid | 0.7109 | 1.1086 | 0.8730 | 0.8236 | 1.2891 | 0.8989 | 0.6593 | 0.4921 | 1.1205 | 2.0241 |
| Zolpidem phenyl-4-carboxylic acid | 0.1149 | 0.0954 | 0.2285 | 0.0892 | 0.0641 | 1.7455 | 1.4281 | 1.2037 | 1.5916 | 2.4335 |
Factors:
| F1 | Sample source:colonic tissue | Treatment:AOM/DSS |
| F2 | Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX |
| F3 | Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics |
| F4 | Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide |
| F5 | Sample source:colonic tissue | Treatment:Control |
| F6 | Sample source:serum | Treatment:AOM/DSS |
| F7 | Sample source:serum | Treatment:AOM/DSS+FOLFOX |
| F8 | Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics |
| F9 | Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide |
| F10 | Sample source:serum | Treatment:Control |