Data for LC-MS Based Approaches to Investigate Metabolomic Differences in the Urine of Young Women after Drinking Cranberry Juice or Apple Juice (Study ST000291)
(Analysis AN000464)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 studyMetabolite | F1 | F2 | F3 |
---|---|---|---|
10-Desacetyltaxuyunnanin C | 1.0176 | 1.0653 | 0.9238 |
10-Hydroxydecanoic acid | 0.6716 | 0.4700 | 1.8401 |
10-Oxodecanoate_1 | 1.2072 | 0.7408 | 1.0519 |
10-Oxodecanoate_2 | 1.0532 | 0.8251 | 1.1217 |
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione | 1.0375 | 0.8271 | 1.1354 |
1,1-Dichloroethylene epoxide | 1.2394 | 0.4973 | 1.2633 |
11-Hydroxycanthin-6-one | 0.9185 | 1.0937 | 0.9878 |
11-O-Demethylpradimicinone I | 1.0795 | 0.7441 | 1.1764 |
1-(1-Oxopropyl)-1H-imidazole | 1.3283 | 0.9046 | 0.7671 |
1,2,3-Trihydroxybenzene_1 | 1.0567 | 0.8280 | 1.1153 |
1,2,3-Trihydroxybenzene_2 | 1.1483 | 0.8195 | 1.0321 |
1,2,3-Trihydroxybenzene_3 | 1.0507 | 1.2705 | 0.6788 |
1,2,6-Hexanetriol | 0.9661 | 1.0883 | 0.9456 |
12alpha-Hydroxyamoorstatin | 1.1421 | 0.8943 | 0.9636 |
1,2-Diamino-4-nitrobenzene_1 | 1.0899 | 0.8688 | 1.0413 |
1,2-Diamino-4-nitrobenzene_2 | 1.0225 | 0.8559 | 1.1216 |
1,2-Diamino-4-nitrobenzene_3 | 0.2252 | 0.3709 | 2.4039 |
1,2-Dihydrosantonin_1 | 1.1914 | 0.7437 | 1.0648 |
1,2-Dihydrosantonin_2 | 0.5509 | 0.9276 | 1.5215 |
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one | 1.8846 | 0.5147 | 0.6007 |
1,2-Dihydroxydibenzothiophene | 1.8904 | 0.2830 | 0.8266 |
12-Hydroxydodecanoic acid_1 | 1.1738 | 0.7026 | 1.1236 |
12-Hydroxydodecanoic acid_2 | 0.8728 | 1.5478 | 0.6395 |
1,3,7-Trimethyluric acid | 1.3386 | 0.9564 | 0.7020 |
1,3,8-Naphthalenertriol_1 | 1.1538 | 0.7188 | 1.1274 |
1,3,8-Naphthalenertriol_2 | 0.6336 | 1.2677 | 1.0987 |
1,3,8-Naphthalenertriol_3 | 0.7543 | 1.7463 | 0.4994 |
1,3-Dichloro-2-propanol | 0.9257 | 1.1984 | 0.8759 |
1,4-Naphthoquinone | 2.4483 | 0.3592 | 0.1925 |
1,5-Naphthalene diisocyanate | 1.2529 | 0.3557 | 1.3914 |
1-(5^-Phosphoribosyl)-5-amino-4-imidazolecarboxamide | 1.2888 | 1.0246 | 0.6677 |
1-(5^-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide | 0.8817 | 0.3789 | 1.7394 |
(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate | 0.8645 | 1.8901 | 0.3047 |
17beta-Methylestra-1,3,5(10)-trien-3-ol | 1.0496 | 0.9310 | 1.0194 |
1,8-Diazacyclotetradecane-2,9-dione | 0.9925 | 1.0190 | 0.9885 |
1^-Acetoxychavicol acetate_1 | 0.8086 | 0.6214 | 1.5700 |
1^-Acetoxychavicol acetate_2 | 1.0750 | 1.0537 | 0.8714 |
1-Aminocyclopropane-1-carboxylate_1 | 0.9948 | 0.8051 | 1.2001 |
1-Aminocyclopropane-1-carboxylate_2 | 0.9195 | 0.6987 | 1.3819 |
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide | 1.1282 | 0.8503 | 1.0215 |
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate | 1.2114 | 0.3416 | 1.4940 |
1-Methyladenosine | 1.0982 | 0.8964 | 1.0054 |
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol_1 | 0.4238 | 2.2345 | 0.3417 |
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol_2 | 0.9939 | 0.6513 | 1.3548 |
1-Naphthaleneacetic acid sodium salt | 1.1503 | 0.5753 | 1.2744 |
1-Octanal_1 | 1.0071 | 0.9896 | 1.0033 |
1-Octanal_2 | 1.0113 | 0.9751 | 1.0136 |
1-Octanal_3 | 0.8685 | 1.2001 | 0.9314 |
1-Octanal_4 | 1.0968 | 1.0972 | 0.8060 |
1-Phenyl-5-mercaptotetrazole | 1.3282 | 0.6627 | 1.0090 |
1-Phenylethylamine | 0.6457 | 0.5804 | 1.7739 |
1-Pyrenylsulfate_1 | 1.2293 | 0.7023 | 1.0684 |
1-Pyrenylsulfate_2 | 1.1271 | 1.1093 | 0.7636 |
1-Pyrroline-2-carboxylate | 1.1450 | 0.8850 | 0.9700 |
(1-Ribosylimidazole)-4-acetate_1 | 1.0751 | 0.8973 | 1.0276 |
(1-Ribosylimidazole)-4-acetate_2 | 1.1021 | 0.9335 | 0.9644 |
(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate | 0.8247 | 1.1240 | 1.0513 |
21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate | 1.1284 | 0.9167 | 0.9549 |
2,2-Dichloro-1,1-ethanediol | 1.0412 | 0.9458 | 1.0130 |
2-(2^-Methylthio)ethylmalic acid | 0.8328 | 0.4947 | 1.6725 |
2,3,5-Trihydroxytoluene | 1.0364 | 0.8686 | 1.0950 |
2,3,6-Trihydroxypyridine | 1.1270 | 0.8910 | 0.9820 |
2,3-Dehydro-UWM6 | 1.1607 | 0.5364 | 1.5048 |
2,3-Dihydrothienamycin | 1.0868 | 0.8918 | 1.0214 |
2,3-Dihydroxycyclopentaneundecanoic acid | 1.2694 | 1.1657 | 0.5649 |
2,3-Dihydroxy-p-cumate_1 | 1.1156 | 0.8671 | 1.0173 |
2,3-Dihydroxy-p-cumate_2 | 1.1053 | 0.8797 | 1.0150 |
2,3-Dihydroxy-p-cumate_3 | 1.8180 | 0.6426 | 0.5394 |
2,3-Dimethylmaleate_1 | 1.1920 | 0.7913 | 1.0167 |
2,3-Dimethylmaleate_2 | 1.3407 | 0.7450 | 0.9143 |
2,3-Dimethylmaleate_3 | 1.1750 | 0.7564 | 1.0687 |
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol | 0.7896 | 0.1283 | 1.9276 |
2-(3^-Methylthio)propylmalic acid_1 | 1.0336 | 0.9141 | 1.0524 |
2-(3^-Methylthio)propylmalic acid_2 | 0.8873 | 0.9927 | 1.1200 |
2-(3^-Methylthio)propylmalic acid_3 | 0.9255 | 1.0430 | 1.0315 |
2-(3^-Methylthio)propylmalic acid_4 | 1.0038 | 1.0097 | 0.9864 |
2,4,6-Trihydroxybenzophenone | 1.8952 | 0.2675 | 0.8374 |
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1 | 1.1571 | 0.8565 | 0.9865 |
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2 | 0.6089 | 1.9362 | 0.4549 |
2,4-DB | 1.3395 | 0.9837 | 0.6502 |
2,4-Diamino-6-nitrotoluene | 0.2279 | 0.4243 | 2.3477 |
2,4-Dihydroxypteridine | 0.9957 | 0.8484 | 1.1559 |
2,4-Dinitrotoluene | 0.8281 | 0.3516 | 1.8203 |
2,4-DP | 1.3504 | 0.7629 | 0.8867 |
2,5-Dihydroxypyridine_1 | 0.9772 | 1.1362 | 0.8866 |
2,5-Dihydroxypyridine_2 | 0.9604 | 1.0664 | 0.9733 |
2,5-Dioxopentanoate_1 | 1.1681 | 0.8322 | 0.9997 |
2,5-Dioxopentanoate_2 | 0.8308 | 1.4842 | 0.6850 |
2,5-Furandicarboxylate_1 | 0.9389 | 1.1104 | 0.9507 |
2,5-Furandicarboxylate_2 | 0.8801 | 0.7561 | 1.3639 |
2,5-Furandicarboxylate_3 | 1.0848 | 0.9005 | 1.0148 |
2,5-Furandicarboxylate_4 | 1.2579 | 0.4759 | 1.2477 |
2-(6^-Methylthio)hexylmalic acid | 0.8188 | 1.0516 | 1.1296 |
2,7-Anhydro-alpha-N-acetylneuraminic acid_1 | 1.0870 | 0.9023 | 1.0107 |
2,7-Anhydro-alpha-N-acetylneuraminic acid_2 | 0.9444 | 0.8826 | 1.1731 |
2-(Acetamidomethylene)succinate | 0.9147 | 1.0503 | 1.0349 |
2-Aceto-2-hydroxybutanoate | 0.9443 | 1.0409 | 1.0148 |
2-Acetoxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine | 1.1466 | 0.8856 | 0.9678 |
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid | 1.1895 | 0.9420 | 0.8685 |
2-Amino-4-chloro-4-pentenoic acid | 1.2832 | 1.0427 | 0.6741 |
2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine | 1.0180 | 0.9455 | 1.0365 |
2-Amino-4-oxo-6-(1^,2^,3^-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin | 0.8607 | 0.8816 | 1.2578 |
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole | 0.7913 | 0.3686 | 1.8400 |
2-Amino-5-chlorophenol | 0.9921 | 1.2269 | 0.7810 |
2-Amino-5-phosphopentanoic acid | 0.8736 | 1.1829 | 0.9434 |
2-Amino-9,10-epoxy-8-oxodecanoic acid | 2.0635 | 0.0434 | 0.9641 |
2-Aminoadenosine | 0.9736 | 0.7629 | 1.2635 |
2-Aminobenzenesulfonate | 1.0216 | 0.9881 | 0.9903 |
2-Aminomuconate | 0.9450 | 0.9118 | 1.1433 |
2-Aminomuconate semialdehyde | 2.1809 | 0.7130 | 0.1061 |
2-Aminophenol_1 | 0.7825 | 1.2580 | 0.9595 |
2-Aminophenol_2 | 1.4159 | 0.6914 | 0.8927 |
2-Aminophenol_3 | 2.4296 | 0.2031 | 0.3673 |
2-deoxy-D-galactose (fructose/glucose) | 0.9782 | 0.9385 | 1.0833 |
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol | 1.4109 | 0.9241 | 0.6650 |
2-Ethylhexyl phthalate_1 | 0.9920 | 1.0034 | 1.0045 |
2-Ethylhexyl phthalate_2 | 0.9945 | 1.0307 | 0.9748 |
2-Ethylhexyl phthalate_3 | 1.1808 | 0.8282 | 0.9910 |
2-Ethylhexyl phthalate_4 | 0.8033 | 1.4615 | 0.7353 |
2-Furoate | 0.9073 | 0.9046 | 1.1880 |
2-Heptanone_1 | 1.0965 | 0.9845 | 0.9190 |
2-Heptanone_2 | 0.1107 | 0.2336 | 2.2090 |
2-Hydroxy-1,4-benzoquinone_1 | 1.5967 | 0.8757 | 0.5276 |
2-Hydroxy-1,4-benzoquinone_2 | 1.7441 | 0.8769 | 0.3790 |
2-Hydroxy-2,4-pentadienoate | 1.1363 | 0.9474 | 0.9163 |
2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate | 1.2202 | 0.9318 | 0.8481 |
2-Hydroxycyclohexan-1-one_1 | 1.0082 | 1.0143 | 0.9775 |
2-Hydroxycyclohexan-1-one_2 | 1.0083 | 0.9902 | 1.0015 |
2-Hydroxycyclohexan-1-one_3 | 0.8022 | 0.8110 | 1.3868 |
2-Hydroxyethylphosphonate | 1.4780 | 0.6416 | 0.8804 |
2-Hydroxyfelbamate_1 | 1.3303 | 0.8758 | 0.7940 |
2-Hydroxyfelbamate_2 | 1.2836 | 0.7292 | 0.9872 |
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate | 0.9455 | 1.3374 | 0.7171 |
2-Hydroxymethylclavam | 1.5204 | 0.5757 | 0.9039 |
2-Hydroxymuconate semialdehyde_1 | 0.9801 | 1.1781 | 0.8418 |
2-Hydroxymuconate semialdehyde_2 | 0.7612 | 0.5366 | 1.7022 |
2-Iodophenol methyl ether | 1.0608 | 0.8790 | 1.0601 |
2-Isopropylmaleate_1 | 1.0253 | 0.8780 | 1.0967 |
2-Isopropylmaleate_2 | 1.0529 | 0.9199 | 1.0272 |
2-Maleylacetate | 1.3389 | 0.8041 | 0.8570 |
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate | 1.1195 | 0.5745 | 1.2275 |
2-Methyl-4-chlorophenoxybutyric acid | 1.0885 | 0.6243 | 1.2872 |
2-Methylpropanamine | 0.8828 | 1.2483 | 0.8689 |
2-Naphthol | 1.0618 | 1.2292 | 0.7090 |
2-Naphthylamine | 1.1072 | 0.7422 | 1.1507 |
2-Nitrofluorene | 1.3289 | 0.4709 | 1.2003 |
2-Oxo-6-methylthiohexanoic acid | 1.1057 | 0.8743 | 1.0200 |
2-Oxo-8-methylthiooctanoic acid | 1.0036 | 0.5939 | 1.4025 |
2-Oxoadipate_1 | 1.2215 | 0.8558 | 0.9227 |
2-Oxoadipate_2 | 1.0383 | 1.2057 | 0.7560 |
2-Oxoadipate_3 | 0.9167 | 1.3072 | 0.7761 |
2-Oxobutanoate_1 | 1.1380 | 0.8334 | 1.0287 |
2-Oxobutanoate_2 | 0.9415 | 0.7506 | 1.3079 |
2-Oxoglutaramate | 1.1312 | 0.8873 | 0.9815 |
2-Oxoglutarate | 0.9463 | 1.0829 | 0.9709 |
2-Oxooctadecanoic acid_1 | 1.0029 | 0.9856 | 1.0115 |
2-Oxooctadecanoic acid_2 | 1.1366 | 0.8092 | 1.0542 |
2-Oxopropyl-CoM | 1.1059 | 0.8516 | 1.0425 |
2-Oxosuberate_1 | 1.3492 | 0.7793 | 0.8715 |
2-Oxosuberate_2 | 1.1761 | 0.9249 | 0.8990 |
2-Pyridyl hydroxymethane sulfonic acid_1 | 1.4891 | 0.4831 | 1.0277 |
2-Pyridyl hydroxymethane sulfonic acid_2 | 0.7071 | 0.5483 | 1.7446 |
2-Thiophenesulfonamide | 1.0097 | 0.9928 | 0.9975 |
2-trans,6-trans-Farnesal_1 | 1.2258 | 0.7874 | 0.9869 |
2-trans,6-trans-Farnesal_2 | 0.1788 | 0.2254 | 1.5898 |
2-trans,6-trans-Farnesal_3 | 0.9146 | 0.7466 | 1.3388 |
3-(2-Hydroxyphenyl)propanoate_1 | 0.9853 | 1.0289 | 0.9858 |
3-(2-Hydroxyphenyl)propanoate_2 | 1.0340 | 0.8789 | 1.0871 |
3-(2-Hydroxyphenyl)propanoate_3 | 0.9865 | 0.6080 | 1.4055 |
3-(2-Hydroxyphenyl)propanoate_4 | 0.0336 | 0.0233 | 2.9432 |
3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea | 0.8371 | 1.0917 | 1.0713 |
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1 | 0.9897 | 1.0109 | 0.9995 |
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2 | 1.1596 | 0.5790 | 1.2614 |
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_3 | 1.2704 | 0.5281 | 1.2016 |
3,3^-Dimethoxybenzidine-4,4^-diisocyanate | 0.7269 | 0.7117 | 1.5613 |
3,4-Dihydroxy-3,4-dihydro-9-fluorenone | 0.9780 | 1.9420 | 0.0800 |
3,4-Dihydroxy-L-phenylalanine | 1.1534 | 0.4914 | 1.3552 |
3,4-Dihydroxymandelate | 1.2840 | 0.3060 | 1.3638 |
3,4-Dihydroxyphenylethyleneglycol | 1.2275 | 0.9027 | 0.8698 |
3-(4-Hydroxyphenyl)lactate | 0.8823 | 0.7824 | 1.3354 |
3-(4-Hydroxyphenyl)pyruvate_1 | 1.1051 | 0.9285 | 0.9664 |
3-(4-Hydroxyphenyl)pyruvate_2 | 1.2793 | 0.5121 | 1.2086 |
3-(4-Hydroxyphenyl)pyruvate_3 | 1.0944 | 0.9155 | 0.9901 |
3,4-Methylenedioxymethamphetamine | 0.9819 | 1.0297 | 0.9884 |
3^,5^-Cyclic AMP | 1.1722 | 0.8214 | 1.0064 |
3^,5^-Cyclic GMP | 1.1868 | 0.8581 | 0.9551 |
3^,5^-Cyclic IMP | 1.0501 | 0.8643 | 1.0856 |
3,5-Dichloro-4-hydroxyphenylpyruvate | 1.4807 | 1.0062 | 0.3930 |
3,9-Dihydroxypterocarpan | 0.9606 | 0.4274 | 1.5739 |
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1 | 1.0748 | 0.9115 | 1.0138 |
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2 | 0.6670 | 0.5367 | 1.7963 |
3-AMINOISOBUTANOATE | 1.0433 | 0.9702 | 0.9864 |
(3-Arylcarbonyl)-alanine | 0.2934 | 0.3667 | 2.3399 |
3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one | 1.0847 | 0.8452 | 1.0701 |
3-Butylidene-7-hydroxyphthalide_1 | 0.9978 | 0.9917 | 1.0105 |
3-Butylidene-7-hydroxyphthalide_2 | 1.1502 | 1.1451 | 0.7047 |
3-Butyn-1-ol | 0.9208 | 0.9360 | 1.1431 |
3-Dehydroquinate_1 | 1.1453 | 0.8670 | 0.9877 |
3-Dehydroquinate_2 | 1.1642 | 0.8687 | 0.9670 |
3-Dehydroshikimate_1 | 1.1508 | 0.8444 | 1.0048 |
3-Dehydroshikimate_2 | 1.2163 | 0.8986 | 0.8851 |
3^-Demethylstaurosporine | 0.7820 | 1.2941 | 0.9239 |
3-Dimethylallyl-4-hydroxymandelic acid | 0.9460 | 0.6375 | 1.4165 |
3-(Dimethylamino)propyl benzoate | 1.0522 | 0.9459 | 1.0019 |
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate | 1.8829 | 0.4256 | 0.6694 |
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate | 0.9109 | 0.6762 | 1.4129 |
3-Fluoro-1-(4-hydroxyphenyl)-1-propanone | 0.9918 | 0.9904 | 1.0178 |
3-Fluoro-cis,cis-muconate | 0.9935 | 1.0989 | 0.9076 |
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate_1 | 1.2529 | 0.7985 | 0.9485 |
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate_2 | 1.0074 | 0.7988 | 1.1938 |
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate_3 | 0.9794 | 0.9036 | 1.1114 |
3-Fluoro-D-alanine | 1.5412 | 0.9456 | 0.5132 |
3-HYDROXY-3-METHYLGLUTARATE | 1.1524 | 0.8068 | 1.0408 |
3-Hydroxyanthranilate | 1.0573 | 0.7611 | 1.1816 |
3^^-Hydroxy-geranylhydroquinone | 1.3889 | 0.8015 | 0.8096 |
3-Hydroxyhexobarbital_1 | 1.1796 | 0.8080 | 1.0124 |
3-Hydroxyhexobarbital_2 | 0.2394 | 2.5853 | 0.4017 |
3-Hydroxykynurenamine | 0.9417 | 0.9698 | 1.0885 |
3-HYDROXYKYNURENINE | 1.1435 | 0.7278 | 1.1287 |
3-Hydroxy-L-glutamate | 0.2967 | 1.7983 | 0.9050 |
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1 | 1.0169 | 0.9622 | 1.0209 |
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2 | 1.2129 | 0.9510 | 0.8361 |
3-Isopropylcatechol | 0.8397 | 0.4411 | 1.7192 |
3-Mercaptolactate | 0.9215 | 0.5338 | 1.5447 |
3-Methoxybenzyl alcohol_1 | 1.1168 | 0.8915 | 0.9917 |
3-Methoxybenzyl alcohol_2 | 1.0390 | 0.9407 | 1.0204 |
3-Methoxybenzyl alcohol_3 | 0.6507 | 0.9383 | 1.4111 |
3-Methoxybenzyl alcohol_4 | 2.3590 | 0.3773 | 0.2637 |
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol | 0.8609 | 0.8373 | 1.3018 |
3-Methyl-2-oxobutanoic acid_1 | 1.0708 | 1.0606 | 0.8686 |
3-Methyl-2-oxobutanoic acid_2 | 0.7940 | 0.4654 | 1.7406 |
3-Methyladenine_1 | 1.0527 | 0.9188 | 1.0284 |
3-Methyladenine_2 | 1.0602 | 1.0060 | 0.9338 |
3-Methylbutanamine | 0.9782 | 1.0201 | 1.0017 |
3-Methyl-cis,cis-hexadienedioate_1 | 1.2861 | 0.3420 | 1.3719 |
3-Methyl-cis,cis-hexadienedioate_2 | 0.1999 | 0.5446 | 2.2555 |
3-Methyleneoxindole_1 | 0.5691 | 0.4921 | 1.9388 |
3-Methyleneoxindole_2 | 1.1396 | 0.8027 | 1.0577 |
3-Methylguanine_1 | 1.0647 | 0.8940 | 1.0413 |
3-Methylguanine_2 | 1.1927 | 0.8735 | 0.9338 |
3-Methylguanine_3 | 1.1122 | 0.8312 | 1.0566 |
3-METHYLHISTAMINE | 1.0885 | 0.9023 | 1.0092 |
3-Nitrofluoranthene | 1.0566 | 0.6207 | 1.3227 |
3-Oxo-delta4-steroid | 1.1308 | 0.9181 | 0.9511 |
3-Oxododecanoic acid_1 | 0.9955 | 0.9491 | 1.0554 |
3-Oxododecanoic acid_2 | 0.9803 | 0.9461 | 1.0736 |
3-Oxododecanoic acid_3 | 1.3026 | 0.6143 | 1.0830 |
3-Phosphonooxypyruvate | 1.0021 | 0.9989 | 0.9989 |
(3S,5S)-Carbapenam-3-carboxylic acid_1 | 1.2374 | 0.7257 | 1.0369 |
(3S,5S)-Carbapenam-3-carboxylic acid_2 | 1.7062 | 0.3836 | 0.9102 |
(3S,5S)-Carbapenam-3-carboxylic acid_3 | 0.8452 | 0.8355 | 1.3193 |
3-Sulfocatechol | 0.8075 | 0.8449 | 1.3476 |
3-Sulfomuconate | 1.2345 | 0.7874 | 0.9780 |
3-UREIDOPROPIONATE | 1.0361 | 0.9394 | 1.0245 |
4-(2-Aminophenyl)-2,4-dioxobutanoate_1 | 1.0318 | 0.7249 | 1.2433 |
4-(2-Aminophenyl)-2,4-dioxobutanoate_2 | 1.1328 | 0.9197 | 0.9475 |
4-(3-Methylbut-2-enyl)-L-tryptophan | 2.1612 | 0.6049 | 0.2339 |
4^,5,6,7-Tetramethoxyflavone | 1.1172 | 1.3063 | 0.5204 |
4,5-Methylenedioxy-6-hydroxyaurone_1 | 1.0448 | 0.6889 | 1.2662 |
4,5-Methylenedioxy-6-hydroxyaurone_2 | 0.0448 | 0.1740 | 2.7232 |
4-Acetamido-2-amino-6-nitrotoluene | 1.0898 | 0.9204 | 0.9899 |
4-ACETAMIDOBUTANOATE | 1.1067 | 0.8837 | 1.0096 |
4-Acetamidobutanoate_1 | 1.1293 | 0.8902 | 0.9804 |
4-Acetamidobutanoate_2 | 1.7121 | 0.9000 | 0.3879 |
4-Acetamidobutanoate_3 | 1.6456 | 0.6249 | 0.7295 |
4a-Hydroxytetrahydrobiopterin | 1.0075 | 0.9600 | 1.0325 |
4-Amino-1-piperidinecarboxylic acid | 0.8766 | 1.0138 | 1.1096 |
4-Amino-2-hydroxylamino-6-nitrotoluene | 1.7718 | 0.7665 | 0.3610 |
4-Amino-4-deoxychorismate_1 | 1.0578 | 0.5120 | 1.4302 |
4-Amino-4-deoxychorismate_2 | 0.8180 | 1.0637 | 1.1183 |
4-Amino-4-deoxychorismate_3 | 2.2505 | 0.1800 | 0.5148 |
4-Amino-5-hydroxymethyl-2-methylpyrimidine_1 | 0.4298 | 2.2275 | 0.3427 |
4-Amino-5-hydroxymethyl-2-methylpyrimidine_2 | 1.1158 | 0.8762 | 1.0080 |
4-Amino-5-hydroxymethyl-2-methylpyrimidine_3 | 0.2494 | 2.5090 | 0.2416 |
4-Aminobiphenyl | 0.9527 | 1.0641 | 0.9833 |
4-(beta-Acetylaminoethyl)imidazole_1 | 1.1285 | 1.0412 | 0.8303 |
4-(beta-Acetylaminoethyl)imidazole_2 | 0.2111 | 2.5269 | 0.2620 |
4-(beta-Acetylaminoethyl)imidazole_3 | 2.5874 | 0.3182 | 0.0944 |
4-Bromophenylthiourea_1 | 1.6669 | 0.4995 | 0.8336 |
4-Bromophenylthiourea_2 | 1.3290 | 1.2108 | 0.4837 |
4-Chlorobiphenyl | 0.9526 | 0.9588 | 1.0885 |
4-Chlorophenoxyacetate | 0.9521 | 1.0999 | 0.9481 |
4-COUMARATE | 1.1533 | 0.9480 | 0.8987 |
4^-Demethyldeoxypodophyllotoxin | 0.0739 | 0.0014 | 3.1244 |
4-Dimethylallyl-L-abrine | 2.3235 | 0.3291 | 0.0703 |
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1 | 1.1369 | 1.0517 | 0.8114 |
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2 | 1.1190 | 0.8513 | 1.0297 |
4-GUANIDINOBUTANOATE | 1.0306 | 0.9479 | 1.0214 |
4-Heptyloxybenzoic acid_1 | 1.2472 | 0.6743 | 1.0785 |
4-Heptyloxybenzoic acid_2 | 1.2726 | 0.9311 | 0.7963 |
4-Heptyloxyphenol_1 | 1.0039 | 1.0024 | 0.9936 |
4-Heptyloxyphenol_2 | 0.9786 | 1.0147 | 1.0068 |
4-Heptyloxyphenol_3 | 0.9457 | 0.8162 | 1.2381 |
4-Heptyloxyphenol_4 | 0.8318 | 0.4470 | 1.7212 |
4-Hexyloxyphenol_1 | 1.1423 | 0.6646 | 1.1931 |
4-Hexyloxyphenol_2 | 1.0143 | 1.0928 | 0.8929 |
4-Hydroxy-2-butynal | 1.1488 | 0.8953 | 0.9560 |
4-Hydroxy-2-quinolinecarboxylic acid_1 | 1.0818 | 0.8408 | 1.0773 |
4-Hydroxy-2-quinolinecarboxylic acid_2 | 1.0480 | 0.8709 | 1.0811 |
4-Hydroxy-3-nitrosobenzamide | 1.2544 | 0.7717 | 0.9739 |
4^-Hydroxy-3^-prenylacetophenone | 1.9529 | 0.3178 | 0.7293 |
4-Hydroxybenzoate | 0.8575 | 0.9315 | 1.2109 |
4-Hydroxybutanoic acid_1 | 0.3890 | 1.7929 | 0.8182 |
4-Hydroxybutanoic acid_2 | 1.1082 | 0.9316 | 0.9602 |
4-(Hydroxylamino)-N,N-dimethylaniline | 1.7559 | 0.2727 | 0.9714 |
4-Hydroxymandelonitrile | 1.3986 | 0.9036 | 0.6978 |
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone | 0.3498 | 0.0492 | 2.6510 |
4-Hydroxymethylphenylhydrazine | 1.1086 | 0.9750 | 0.9164 |
4-Hydroxyphenylacetate_1 | 1.1158 | 0.9161 | 0.9680 |
4-Hydroxyphenylacetate_2 | 1.5425 | 0.5447 | 0.9127 |
4-IMIDAZOLEACETIC ACID | 0.9950 | 0.9320 | 1.0730 |
4-Imidazolone-5-propanoate | 1.0680 | 0.8949 | 1.0371 |
4-Isopropylbenzaldehyde | 1.3097 | 0.7434 | 0.9468 |
4-Ketocyclophosphamide | 0.7396 | 0.8694 | 1.3910 |
4-Methyl-2-oxopentanoate_1 | 1.1742 | 0.9286 | 0.8972 |
4-Methyl-2-oxopentanoate_2 | 1.2092 | 0.5163 | 1.2744 |
4-Methylene-L-glutamine_1 | 0.9101 | 1.3305 | 0.7594 |
4-Methylene-L-glutamine_2 | 1.6378 | 0.8417 | 0.5205 |
4-Methylthio-2-oxobutanoic acid | 1.1116 | 0.9363 | 0.9521 |
4-Nitro-6-oxohepta-2,4-dienedioate | 0.9882 | 0.9096 | 1.1022 |
4-Nitrocatechol | 1.5586 | 0.4978 | 0.9101 |
4-Nitrophenol | 1.0585 | 1.1794 | 0.7621 |
4-Nitrophenyl-3-ketovalidamine | 0.7268 | 1.7677 | 0.5055 |
4-Nitrosobiphenyl | 1.0656 | 0.5840 | 1.3504 |
4-O-beta-D-Glucosyl-4-hydroxycinnamate | 2.0855 | 0.0159 | 0.6958 |
4-Oxocyclohexanecarboxylate_1 | 0.9717 | 1.0317 | 0.9966 |
4-Oxocyclohexanecarboxylate_2 | 0.1598 | 0.1591 | 2.6811 |
4-Oxocyclohexanecarboxylate_3 | 1.1022 | 0.7677 | 1.1301 |
4-Oxocyclohexanecarboxylate_4 | 0.4786 | 1.8438 | 0.6776 |
4-Oxocyclohexanecarboxylate_5 | 0.1205 | 0.0844 | 2.7951 |
4-Oxocyclohexanecarboxylate_6 | 0.2341 | 0.2768 | 2.4891 |
4-Oxoproline_1 | 1.2973 | 0.8582 | 0.8446 |
4-Oxoproline_2 | 1.1803 | 0.7413 | 1.0784 |
4-Propylphenol_1 | 1.0782 | 0.8387 | 1.0831 |
4-Propylphenol_2 | 0.9086 | 1.0498 | 1.0416 |
4-Pyridoxate_1 | 0.9703 | 1.0541 | 0.9756 |
4-Pyridoxate_2 | 1.1159 | 1.1321 | 0.7520 |
4-Pyridoxate_3 | 0.9145 | 1.1184 | 0.9671 |
4-Pyridoxolactone_1 | 1.0461 | 0.9275 | 1.0264 |
4-Pyridoxolactone_2 | 1.3972 | 0.8411 | 0.7617 |
4-Pyridoxolactone_3 | 1.2115 | 0.8906 | 0.8980 |
4-Vinylcyclohexene_1 | 1.0403 | 0.9226 | 1.0371 |
4-Vinylcyclohexene_2 | 0.9586 | 0.9553 | 1.0861 |
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester | 1.4310 | 0.9789 | 0.6161 |
5-(2-Hydroxyethyl)-4-methylthiazole | 0.1343 | 0.5251 | 2.3406 |
5-(3^-Carboxy-3^-oxopropenyl)-4,6-dihydroxypicolinate | 1.0911 | 0.8380 | 1.0709 |
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2^-bithiophene | 1.3810 | 0.9135 | 0.7055 |
5,6-Dihydrothymine_1 | 1.0772 | 0.9735 | 0.9492 |
5,6-Dihydrothymine_2 | 1.1006 | 0.9330 | 0.9664 |
5,6-Dihydrothymine_3 | 1.3211 | 0.9111 | 0.7678 |
5,6-DIHYDROURACIL | 1.0434 | 0.9418 | 1.0148 |
5a,11a-Dehydrochlortetracycline | NA | 0.0057 | 2.9885 |
5-Acetamidopentanoate_1 | 1.1174 | 0.8680 | 1.0146 |
5-Acetamidopentanoate_2 | 1.7229 | 0.6047 | 0.6724 |
5-Acetylamino-6-amino-3-methyluracil_1 | 1.1020 | 1.1088 | 0.7892 |
5-Acetylamino-6-amino-3-methyluracil_2 | 1.4071 | 0.9327 | 0.6602 |
5-Acetylamino-6-amino-3-methyluracil_3 | 1.4334 | 0.9411 | 0.6255 |
5-Acetylamino-6-amino-3-methyluracil_4 | 1.2017 | 1.0281 | 0.7702 |
5-Acetylamino-6-formylamino-3-methyluracil | 1.4652 | 0.9395 | 0.5953 |
5-(alpha-Phenylethyl)semioxamazide | 1.2252 | 0.7648 | 1.0101 |
5-Amino-4-imidazolecarboxyamide_1 | 1.1922 | 0.8438 | 0.9640 |
5-Amino-4-imidazolecarboxyamide_2 | 1.3224 | 1.2102 | 0.4674 |
5-Amino-4-imidazole carboxylate | 1.0606 | 1.0409 | 0.8985 |
5-Amino-6-(5^-phosphoribosylamino)uracil | 1.4502 | 1.1565 | 0.4688 |
5-Aminolevulinate_1 | 0.9884 | 0.9107 | 1.1010 |
5-Aminolevulinate_2 | 0.9887 | 1.1087 | 0.9026 |
5-Aminolevulinate_3 | 1.4303 | 1.0140 | 0.5557 |
5-AMINOLEVULINIC ACID | 1.0505 | 0.9784 | 0.9711 |
5-Aminopentanamide | 1.0173 | 0.8465 | 1.1362 |
5-Carboxy-2-oxohept-3-enedioate | 2.7437 | 0.1505 | 0.2221 |
5^-Deoxy-5-fluorocytidine_1 | 1.1984 | 0.7312 | 1.0524 |
5^-Deoxy-5-fluorocytidine_2 | 1.1547 | 0.8113 | 1.0443 |
5^-DEOXYADENOSINE | 1.1296 | 0.8788 | 0.9916 |
5-exo-Hydroxy-1,2-campholide | 1.2583 | 0.8257 | 0.9161 |
5-Guanidino-2-oxopentanoate | 1.3029 | 0.8169 | 0.8802 |
5-Guanidino-3-methyl-2-oxopentanoate | 1.2464 | 0.8486 | 0.9051 |
5-Hydroxyindoleacetate_1 | 1.1580 | 0.8319 | 1.0101 |
5-Hydroxyindoleacetate_2 | 2.0645 | 0.1678 | 0.7677 |
5-Hydroxyindolepyruvate | 0.1868 | 2.7169 | 0.3072 |
5-Hydroxyisourate | 0.9851 | 0.9212 | 1.0937 |
5-Hydroxy-L-tryptophan_1 | 1.1409 | 0.8475 | 1.0116 |
5-Hydroxy-L-tryptophan_2 | 1.2443 | 0.8210 | 0.9348 |
5-Hydroxy-L-tryptophan_3 | 1.0896 | 0.8846 | 1.0258 |
5-Hydroxymethyluracil | 1.0390 | 0.9911 | 0.9699 |
5-Hydroxypentanoate_1 | 0.8645 | 1.0178 | 1.1177 |
5-Hydroxypentanoate_2 | 1.2998 | 0.7148 | 0.9853 |
5-L-Glutamyl-taurine | 2.0827 | 0.2596 | 0.6083 |
5-Methyl-2^-deoxycytidine | 1.0685 | 0.9799 | 0.9516 |
5-Methylcytosine_1 | 1.0731 | 0.9228 | 1.0040 |
5-Methylcytosine_2 | 0.4783 | 0.9209 | 1.6008 |
5-METHYLCYTOSINE HYDROCLORIDE | 1.0806 | 0.9634 | 0.9560 |
5-Methyldeoxycytidine diphosphate | 0.3006 | 0.5422 | 2.2463 |
5^-Methylthioadenosine | 1.1712 | 0.8575 | 0.9713 |
5-Methylthio-D-ribose | 1.1008 | 0.9060 | 0.9932 |
5-Nitro-ortho-anisidine_1 | 1.3334 | 0.8552 | 0.8114 |
5-Nitro-ortho-anisidine_2 | 1.4071 | 0.8454 | 0.7475 |
5-Nitro-ortho-anisidine_3 | 1.0751 | 0.9083 | 1.0166 |
5-Nitro-ortho-anisidine_4 | 1.8134 | 0.8415 | 0.3452 |
5-Nitro-ortho-anisidine_5 | 0.7645 | 0.4770 | 1.7585 |
5^-O-beta-D-Glucosylpyridoxine | 1.4416 | 0.9853 | 0.6015 |
5-Oxo-1,2-campholide | 1.3124 | 0.6494 | 1.0382 |
5-OXO-L-PROLINE | 1.0993 | 0.8925 | 1.0083 |
5-Sulfosalicylate_1 | 0.9927 | 1.0049 | 1.0024 |
5-Sulfosalicylate_2 | 1.2324 | 0.8967 | 0.8709 |
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol | 1.0033 | 0.9879 | 1.0088 |
5-Valerolactone_1 | 0.8643 | 0.9982 | 1.1375 |
5-Valerolactone_2 | 0.9832 | 0.9019 | 1.1149 |
6-Acetamido-3-oxohexanoate | 1.1876 | 0.9519 | 0.8606 |
6-Acetophenazine-1-carboxylic acid | 1.0385 | 0.9710 | 0.9906 |
6alpha-Hydroxycortisol | 1.1953 | 0.9261 | 0.8786 |
6beta-Hydroxy-17beta-estradiol | 1.2671 | 0.7852 | 0.9477 |
6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione | 1.2192 | 0.7188 | 1.0619 |
6-Carboxy-5,6,7,8-tetrahydropterin | 1.1950 | 0.7511 | 1.0539 |
6-Demethylsterigmatocystin | 0.4323 | 0.6438 | 1.8883 |
6-Deoxyjacareubin | 1.1493 | 1.0203 | 0.8304 |
6-endo-Hydroxycineole_1 | 0.9746 | 1.0164 | 1.0090 |
6-endo-Hydroxycineole_2 | 0.8866 | 0.7652 | 1.3483 |
6-Hydroxyindolelactate | 1.2759 | 0.7996 | 0.9245 |
6-Hydroxypseudooxynicotine_1 | 1.1255 | 1.0207 | 0.8538 |
6-Hydroxypseudooxynicotine_2 | 2.4431 | 0.2198 | 0.3371 |
6-Methoxymellein_1 | 1.0181 | 0.8128 | 1.1691 |
6-Methoxymellein_2 | 1.7922 | 0.0374 | 1.0608 |
6-Methoxytaxifolin | 1.1096 | 1.1524 | 0.7380 |
6-Oxocineole_1 | 1.1862 | 0.7538 | 1.0601 |
6-Oxocineole_2 | 1.1391 | 0.9456 | 0.9153 |
(6S,9R)-Vomifoliol_1 | 0.9437 | 1.0481 | 1.0082 |
(6S,9R)-Vomifoliol_2 | 1.3030 | 0.6484 | 1.0485 |
(6Z,9Z,12Z)-Octadecatrienoic acid | 0.9406 | 1.5117 | 0.5477 |
7-Aminocephalosporanic acid | 0.8346 | 0.2764 | 1.8407 |
7-Aminomethyl-7-carbaguanine | 1.1083 | 0.8636 | 1.0281 |
7-Deoxyloganetin | 0.2689 | 0.0768 | 2.6544 |
7-Ethoxycoumarin | 1.5251 | 0.7647 | 0.7102 |
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one | 0.8574 | 1.2511 | 0.8915 |
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate | 0.9328 | 1.5202 | 0.5519 |
7-Mercaptoheptanoylthreonine | 1.2096 | 0.7933 | 0.9971 |
7-Methyluric acid_1 | 1.0272 | 1.0578 | 0.9150 |
7-Methyluric acid_2 | 1.0752 | 1.2359 | 0.6889 |
7-Methylxanthine | 1.0169 | 1.0248 | 0.9582 |
7-Methylxanthosine | 1.3917 | 1.0168 | 0.5915 |
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate | 0.6297 | 0.8114 | 1.5589 |
8-(3,3-Dimethylallyl)spatheliachromene | 2.4647 | 0.0163 | 0.0293 |
8-Amino-7-oxononanoate_1 | 0.9874 | 1.0882 | 0.9244 |
8-Amino-7-oxononanoate_2 | 0.7816 | 1.5166 | 0.7018 |
8-Amino-7-oxononanoate_3 | 1.0589 | 0.6450 | 1.2962 |
8-Amino-7-oxononanoate_4 | 1.1772 | 0.9251 | 0.8977 |
8-Amino-7-oxononanoate_5 | 1.9881 | 0.6396 | 0.3723 |
8-Amino-7-oxononanoate_6 | 0.8997 | 0.3112 | 1.7892 |
8-Oxoguanine | 0.7600 | 0.8896 | 1.3504 |
9,12,13-TriHOME | 0.9999 | 0.9952 | 1.0049 |
9-Methylthiononanaldoxime | 1.0272 | 0.9011 | 1.0717 |
9-Oxononanoic acid_1 | 1.1495 | 0.7210 | 1.1295 |
9-Oxononanoic acid_2 | 1.8909 | 0.4435 | 0.6657 |
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1 | 0.9525 | 0.9681 | 1.0794 |
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2 | 1.1497 | 1.2319 | 0.6184 |
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid_1 | 1.0017 | 1.0064 | 0.9918 |
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid_2 | 1.1738 | 0.8470 | 0.9792 |
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_1 | 1.0111 | 0.9907 | 0.9982 |
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_2 | 1.0684 | 1.1859 | 0.7351 |
Abacavir | 1.2662 | 0.9822 | 0.7517 |
Abscisate | 1.3617 | 0.7474 | 0.8909 |
Acadesine | 1.1268 | 0.8690 | 1.0042 |
Acanthicifoline | 0.1795 | 2.3598 | 0.6420 |
Acetone cyanohydrin_1 | 1.1331 | 0.8712 | 0.9957 |
Acetone cyanohydrin_2 | 1.0365 | 0.9287 | 1.0348 |
Acetyl adenylate | 1.4533 | 0.2631 | 0.6885 |
Acetylagmatine | 0.8803 | 1.2459 | 0.8738 |
Acetylcysteine_1 | 2.1980 | 0.4554 | 0.3466 |
Acetylcysteine_2 | 2.1003 | 0.4077 | 0.4920 |
Acetylcysteine_3 | 2.0411 | 0.3765 | 0.5825 |
Acetyltropine | 0.2442 | 0.2992 | 2.4062 |
Acronycidine | 1.0145 | 1.2375 | 0.7480 |
Acrylamide | 1.2793 | 0.8073 | 0.9134 |
Actinidine | 1.1334 | 0.7994 | 1.0672 |
Acutumidine | 0.0666 | 0.0003 | 3.1108 |
Acyclovir | 0.0001 | 2.7498 | 0.0001 |
Adenine | 1.0257 | 0.7801 | 1.1941 |
ADENINE | 0.8560 | 1.0888 | 1.0551 |
Adenosine | 1.0370 | 0.7803 | 1.1827 |
Aethusin | 1.0236 | 0.9881 | 0.9883 |
Agaritine | 1.9425 | 0.5132 | 0.3594 |
Agnuside | 1.2119 | 0.7353 | 1.0528 |
Alantolactone_1 | 1.1280 | 0.9249 | 0.9471 |
Alantolactone_2 | 1.4012 | 0.4371 | 1.1617 |
Aldicarb_1 | 1.0068 | 0.9713 | 1.0220 |
Aldicarb_2 | 1.2204 | 0.1798 | 1.5999 |
Allidochlor_1 | 1.2806 | 0.9094 | 0.8101 |
Allidochlor_2 | 1.2419 | 1.4875 | 0.2706 |
Allylestrenol_1 | 1.0695 | 0.8267 | 1.1064 |
Allylestrenol_2 | 0.9644 | 0.9853 | 1.0497 |
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol | 1.5357 | 1.2545 | 0.2099 |
ALPHA-AMINOADIPATE | 1.1664 | 0.8927 | 0.9409 |
alpha-Curcumene_1 | 0.9664 | 1.0411 | 0.9924 |
alpha-Curcumene_2 | 0.9420 | 0.4138 | 1.6442 |
alpha-Fluoro-beta-ureidopropionic acid | 1.4280 | 0.4105 | 1.1615 |
ALPHA-HYDROXYISOBUTYRIC ACID | 1.0812 | 1.0472 | 0.8716 |
alpha-Ionone_1 | 1.3734 | 0.8339 | 0.7927 |
alpha-Ionone_2 | 1.0390 | 0.8623 | 1.0986 |
alpha-Irone_1 | 1.3841 | 0.5872 | 1.0287 |
alpha-Irone_2 | 1.0361 | 0.8924 | 1.0715 |
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine | 1.3695 | 0.7581 | 0.8724 |
alpha-Oxo-benzeneacetic acid_1 | 1.0453 | 0.5340 | 1.4207 |
alpha-Oxo-benzeneacetic acid_2 | 0.9980 | 0.9367 | 1.0653 |
alpha-Ribazole_1 | 1.1180 | 0.8873 | 0.9947 |
alpha-Ribazole_2 | 1.0051 | 0.8440 | 1.1509 |
alpha-Santonin | 1.3671 | 0.7467 | 0.8861 |
alpha-Sinensal_1 | 1.0124 | 0.9948 | 0.9928 |
alpha-Sinensal_2 | 0.9973 | 0.9796 | 1.0231 |
alpha-Sinensal_3 | 1.0540 | 0.8729 | 1.0731 |
alpha-Sinensal_4 | 1.0099 | 0.9263 | 1.0638 |
Amabiline_1 | 1.0965 | 0.8168 | 1.0867 |
Amabiline_2 | 0.0015 | 2.9970 | 0.0015 |
AMCC | 0.8285 | 1.2243 | 0.9472 |
Aminopyrine | 1.3165 | 1.1219 | 0.6555 |
Amoxicillin | 0.0085 | 0.0003 | 2.7055 |
AMPA | 1.3717 | 0.8651 | 0.7633 |
Amphetamine | 0.2482 | 0.9892 | 1.7626 |
Anastrozole | 2.7012 | 0.1041 | 0.0753 |
Ancymidol | 0.7698 | 1.9451 | 0.3328 |
Androsterone | 1.1541 | 0.9158 | 0.9302 |
Angelicin | 1.0093 | 0.3256 | 1.5695 |
Aniline | 0.7375 | 1.3137 | 0.9488 |
Aniracetam | 1.1465 | 1.2165 | 0.6370 |
Ankorine | 1.1880 | 0.8132 | 0.9988 |
Annuloline | 0.0558 | 2.9052 | 0.0334 |
Anthopleurine | 0.2738 | 0.2678 | 2.4584 |
Anthranilate | 1.0176 | 1.1486 | 0.8338 |
Apigenin | 1.9520 | 0.1758 | 0.8087 |
Apigenin 7,4^-dimethyl ether | 0.9899 | 0.8390 | 1.1710 |
Apiole_1 | 0.6108 | 1.3278 | 1.0614 |
Apiole_2 | 1.0532 | 0.8117 | 1.1351 |
Apiole_3 | 0.9032 | 0.9621 | 1.1347 |
Apiole_4 | 1.6858 | 0.5469 | 0.7673 |
Apraclonidine | 0.4982 | 0.7090 | 1.7928 |
Aprobarbital | 1.1279 | 1.0286 | 0.8435 |
Arbutin | 2.1263 | 0.4256 | 0.4481 |
Archangelicin | 0.8722 | 1.4995 | 0.6283 |
Arg-OEt | 1.0660 | 0.9280 | 1.0060 |
Aristolochic acid | 1.0376 | 0.9406 | 1.0218 |
Aromatic aldehyde_1 | 0.3037 | 0.3788 | 2.3175 |
Aromatic aldehyde_2 | 1.2737 | 0.8561 | 0.8702 |
Ascorbate | 1.7310 | 0.9111 | 0.3579 |
Asparagusate | 1.3261 | 0.6875 | 0.9864 |
Aspartame | 1.1257 | 0.8599 | 1.0144 |
Aspidinol_1 | 1.2456 | 0.7098 | 1.0446 |
Aspidinol_2 | 0.9002 | 0.9355 | 1.1643 |
Aspulvinone E | 0.8298 | 0.8140 | 1.3562 |
Asulam | 0.5603 | 1.5986 | 0.8118 |
Atheroline | 1.5891 | 0.5383 | 0.8726 |
Atractylone | 0.9591 | 1.0171 | 1.0238 |
Austrobailignan 1 | 0.6340 | 1.8252 | 0.9378 |
Autumnolide | 1.3583 | 0.8132 | 0.8286 |
Avizafone | 1.2496 | 0.8382 | 0.9121 |
Azelaic acid | 0.9897 | 1.0571 | 0.9532 |
Baicalin | 1.5348 | 0.1886 | 1.3269 |
Bakankoside | 0.3509 | 2.6075 | 0.2712 |
Bakkenolide A_1 | 0.9869 | 0.9219 | 1.0912 |
Bakkenolide A_2 | 0.9842 | 0.9264 | 1.0894 |
Bakkenolide A_3 | 1.2415 | 0.7765 | 0.9820 |
Barbaloin | 1.0989 | 0.9854 | 0.9175 |
Barbiturate | 1.6857 | 0.8616 | 0.4526 |
Bay-K-8644 | 1.3081 | 0.9711 | 0.7209 |
Bendiocarb_1 | 0.9641 | 0.7982 | 1.2377 |
Bendiocarb_2 | 1.1421 | 1.1119 | 0.7460 |
Bendiocarb_3 | 0.7630 | 1.7114 | 0.5256 |
Benzamide | 1.2303 | 1.1437 | 0.6260 |
Benzene_1 | 0.4350 | 0.5185 | 2.0465 |
Benzene_2 | 0.2503 | 1.9722 | 0.7775 |
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide | 0.9788 | 0.9630 | 1.0582 |
Benzoate_1 | 0.9673 | 0.9444 | 1.0883 |
Benzoate_2 | 1.5300 | 0.4947 | 0.9753 |
Benzo[b]naphtho[2,1-d]thiophene_1 | 1.1575 | 0.8619 | 0.9805 |
Benzo[b]naphtho[2,1-d]thiophene_2 | 1.4187 | 0.8875 | 0.6938 |
Benzofuran_1 | 1.1817 | 0.8510 | 0.9673 |
Benzofuran_2 | 1.0726 | 1.3109 | 0.6165 |
Benzoin_1 | 2.2549 | 0.1303 | 0.3548 |
Benzoin_2 | 2.0829 | 0.0117 | 0.6701 |
Benzoyl isothiocyanate | 1.1099 | 0.6840 | 1.2061 |
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate | 1.2179 | 0.7722 | 1.0099 |
Benzyl alcohol_1 | 0.2857 | 0.3828 | 2.3316 |
Benzyl alcohol_2 | 0.8931 | 0.9632 | 1.1437 |
Bergaptol_1 | 0.3283 | 0.6210 | 2.0507 |
Bergaptol_2 | 1.7288 | 0.6796 | 0.5916 |
Bergaptol_3 | 1.1076 | 0.3481 | 1.5443 |
BETA-ALANINE | 1.1755 | 0.9089 | 0.9156 |
beta-Carboline_1 | 0.7984 | 0.9009 | 1.3007 |
beta-Carboline_2 | 0.9427 | 0.7432 | 1.3141 |
beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride | 2.8978 | 0.0508 | 0.1192 |
beta-Citryl-L-glutamate | 1.1868 | 0.8596 | 0.9536 |
beta-Cotonefuran | 1.5250 | 0.4265 | 1.0484 |
Betagarin | 1.5551 | 0.0296 | 0.2133 |
BETAINE | 1.0064 | 0.9011 | 1.0925 |
Biochanin A | 0.0427 | 3.5188 | 0.2546 |
Biotin | 1.1096 | 0.9091 | 0.9813 |
Biotin amide | 1.0000 | 1.0337 | 0.9663 |
Biotin sulfone | 1.4015 | 0.9068 | 0.6916 |
Biotin sulfoxide | 1.1824 | 1.2184 | 0.5992 |
Biphenyl-2,3-diol | 1.3964 | 0.6615 | 0.9422 |
Bisphenol A dimethacrylate | 1.2844 | 0.7342 | 0.9814 |
Bisphenol B | 0.9849 | 0.9776 | 1.0375 |
Bisthiosemi | 1.6136 | 0.5408 | 0.8456 |
Boc-Asn_1 | 0.8428 | 1.4758 | 0.6814 |
Boc-Asn_2 | 0.6659 | 1.8237 | 0.5104 |
Boc-Asn_3 | 1.6206 | 0.6061 | 0.7734 |
Boc-Asn-OPhNO2 | 1.1275 | 0.9094 | 0.9631 |
(+)-Bornane-2,5-dione_1 | 1.2342 | 0.8972 | 0.8686 |
(+)-Bornane-2,5-dione_2 | 0.9693 | 1.1834 | 0.8473 |
Boschnialactone_1 | 1.2928 | 0.8433 | 0.8639 |
Boschnialactone_2 | 1.0941 | 0.9604 | 0.9455 |
Boschnialactone_3 | 1.1443 | 0.8546 | 1.0012 |
Botrydial | 1.0134 | 0.9906 | 0.9960 |
Bowdichione | 0.1004 | 0.1478 | 3.2096 |
Brugine | 1.0737 | 0.8816 | 1.0447 |
Buddledin A_1 | 0.9984 | 1.0025 | 0.9991 |
Buddledin A_2 | 0.9957 | 0.9965 | 1.0078 |
Bufadienolide | 0.8103 | 0.7787 | 1.4109 |
Bufferin | 0.6120 | 1.8983 | 0.4533 |
Bufotenine | 1.1882 | 0.7119 | 1.1133 |
Buspirone_1 | 0.9359 | 1.1004 | 0.9703 |
Buspirone_2 | 1.1903 | 1.3228 | 0.7508 |
Butabarbital | 1.2942 | 0.9570 | 0.7488 |
Butanal_1 | 0.7769 | 0.7237 | 1.4994 |
Butanal_2 | 0.9949 | 0.9801 | 1.0250 |
Butanoic acid_1 | 1.1489 | 0.8103 | 1.0408 |
Butanoic acid_2 | 1.0704 | 1.2782 | 0.6514 |
Butanoic acid_3 | 1.2184 | 0.8194 | 0.9622 |
Butanoylphosphate | 1.3047 | 0.8734 | 0.8218 |
Butoctamide hydrogen succinate_1 | 1.1624 | 0.7977 | 1.0399 |
Butoctamide hydrogen succinate_2 | 0.7126 | 1.5173 | 0.7702 |
Butonate | 1.6520 | 0.0233 | 1.0457 |
Butopyronoxyl | 1.3668 | 0.6689 | 0.9643 |
Bz-Arg-OEt | 1.3489 | 1.3719 | 0.3768 |
C20915 | 2.5232 | 0.0244 | 0.0351 |
Cadaverine | 0.9914 | 1.0003 | 1.0089 |
Caffeine | 1.0965 | 1.1924 | 0.7111 |
Cajanol | 0.9813 | 0.8068 | 1.2119 |
Calcium levulinate anhydrous | 0.9867 | 0.8800 | 1.1436 |
Calystegin B2_1 | 1.0988 | 0.8427 | 1.0584 |
Calystegin B2_2 | 1.1611 | 0.7696 | 1.0693 |
Calystegin B2_3 | 0.9462 | 0.9936 | 1.0602 |
(+)-Camphor_1 | 1.0735 | 1.0199 | 0.9067 |
(+)-Camphor_2 | 1.1385 | 0.7306 | 1.1308 |
Capillanol | 1.2086 | 0.9855 | 0.8059 |
Capsi-amide | 0.9926 | 1.0116 | 0.9959 |
Carbetamide | 1.0986 | 0.7827 | 1.1187 |
Carisoprodol | 0.8790 | 0.6732 | 1.4180 |
Carpacin_1 | 1.5356 | 0.6670 | 0.7975 |
Carpacin_2 | 1.5310 | 0.7560 | 0.7130 |
(-)-Carvone | 0.9274 | 0.7882 | 1.2844 |
Castanospermine_1 | 1.0222 | 1.1044 | 0.8735 |
Castanospermine_2 | 2.9715 | 0.0066 | 0.0219 |
Catechol | 1.0044 | 1.0506 | 0.9450 |
CATECHOL | 0.9899 | 0.9254 | 1.0847 |
CB3717 | 0.9289 | 1.4461 | 0.6360 |
CBS 113A | 0.2359 | 0.2167 | 2.2731 |
Cefepime | 1.0847 | 0.2984 | 1.6609 |
Centarol | 1.4450 | 0.6835 | 0.8716 |
Cerulenin_1 | 1.1733 | 0.8615 | 0.9652 |
Cerulenin_2 | 1.2472 | 0.9863 | 0.7666 |
Cetraxate | 1.4007 | 1.2477 | 0.4113 |
Chlorfenac | 0.9707 | 0.6269 | 1.4024 |
Chlorhexidine | 1.1150 | 0.6268 | 1.2582 |
Chloridazon | 1.1402 | 0.6881 | 1.1718 |
Chloromethiuron | 0.9801 | 1.0256 | 0.9943 |
Chlorphenesin carbamate | 0.8997 | 1.2803 | 0.8200 |
Chlortetracycline | 0.4347 | 0.7612 | 1.8041 |
Cholesterol sulfate | 1.0088 | 0.9789 | 1.0123 |
Choline phosphate | 0.8283 | 0.4090 | 1.7628 |
Chrysoeriol_1 | 0.9196 | 0.0870 | 1.6501 |
Chrysoeriol_2 | 0.0019 | 0.0040 | 2.9936 |
Cibarian | 1.2338 | 0.5877 | 1.1785 |
Cinnamaldehyde_1 | 0.6020 | 2.0494 | 0.3486 |
Cinnamaldehyde_2 | 0.2990 | 1.8338 | 0.8671 |
Cinncassiol B | 1.4703 | 0.7913 | 0.7385 |
Cinncassiol E | 1.0794 | 0.8903 | 1.0304 |
Cinoxacin | 0.9643 | 1.0195 | 1.0163 |
cis-1,2-Dihydro-3-ethylcatechol_1 | 1.0997 | 0.8948 | 1.0056 |
cis-1,2-Dihydro-3-ethylcatechol_2 | 1.0408 | 0.9887 | 0.9705 |
cis-1,2-Dihydro-3-ethylcatechol_3 | 0.8685 | 1.2881 | 0.8434 |
cis-1,2-Dihydro-3-ethylcatechol_4 | 2.5126 | 0.4066 | 0.0808 |
cis-1,2-Dihydronaphthalene-1,2-diol_1 | 0.9861 | 1.0273 | 0.9866 |
cis-1,2-Dihydronaphthalene-1,2-diol_2 | 1.0151 | 0.9754 | 1.0095 |
cis-1,2-Dihydronaphthalene-1,2-diol_3 | 1.1364 | 0.8913 | 0.9723 |
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 | 0.9470 | 1.0622 | 0.9907 |
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 | 1.0559 | 0.8258 | 1.1183 |
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate | 1.3281 | 0.8006 | 0.8713 |
cis-2-Carboxycyclohexyl-acetic acid_1 | 1.4737 | 0.6439 | 0.8823 |
cis-2-Carboxycyclohexyl-acetic acid_2 | 0.6309 | 0.1515 | 2.2175 |
cis-2-Carboxycyclohexyl-acetic acid_3 | 0.0123 | 0.0321 | 2.9556 |
cis-3,4-Leucopelargonidin | 1.6511 | 0.5324 | 0.8165 |
cis-4-Carboxymethylenebut-2-en-4-olide_1 | 1.7790 | 0.8964 | 0.3246 |
cis-4-Carboxymethylenebut-2-en-4-olide_2 | 1.2381 | 0.9188 | 0.8431 |
cis-4-Carboxymethylenebut-2-en-4-olide_3 | 0.5164 | 1.8458 | 0.6378 |
cis-Aconitate_1 | 0.9385 | 1.0953 | 0.9662 |
cis-Aconitate_2 | 1.0782 | 0.8741 | 1.0477 |
cis-Aconitate_3 | 1.4394 | 0.3394 | 1.0891 |
Citalopram propionic acid | 1.4863 | 0.5133 | 1.0003 |
CITRAMALATE | 0.9741 | 1.5206 | 0.5053 |
CITRATE | 0.9129 | 1.1026 | 0.9845 |
Citrate_1 | 0.9488 | 1.0819 | 0.9692 |
Citrate_2 | 1.1100 | 0.8298 | 1.0602 |
Clavamycin D | 2.2142 | 0.3346 | 0.4513 |
Clavamycin E | 0.9544 | 1.3646 | 0.6810 |
Clavulanic acid | 1.4254 | 0.9660 | 0.6086 |
Clitidine_1 | 1.1353 | 0.8309 | 1.0338 |
Clitidine_2 | 1.2139 | 0.6379 | 1.1482 |
Clopyralid | 0.8691 | 1.1655 | 0.9653 |
Codeine-6-glucuronide | 1.2002 | 0.7534 | 0.9776 |
Codonopsine | 0.0190 | 2.9761 | 0.0048 |
Coenzyme B | 1.4754 | 1.1568 | 0.3678 |
Compactin diol lactone | 1.2950 | 0.7895 | 0.9156 |
Coniferyl alcohol_1 | 1.2389 | 0.8589 | 0.9022 |
Coniferyl alcohol_2 | 1.0124 | 0.9868 | 1.0008 |
Coniferyl alcohol_3 | 0.9969 | 0.9997 | 1.0034 |
Coniferyl alcohol_4 | 1.0256 | 0.6222 | 1.3522 |
Coproporphyrin I | 1.3044 | 0.8011 | 0.8953 |
Corticosterone_1 | 0.9541 | 0.8233 | 1.2226 |
Corticosterone_2 | 0.5823 | 1.5305 | 0.8872 |
Coumarin_1 | 1.5738 | 0.8408 | 0.5854 |
Coumarin_2 | 1.2251 | 0.6396 | 1.1353 |
Coumarin_3 | 1.1278 | 1.2095 | 0.6627 |
Coumestrol | 1.6277 | 0.8409 | 0.5314 |
CREATINE | 1.3725 | 0.8687 | 0.7588 |
CREATININE_1 | 1.0622 | 0.9430 | 0.9948 |
CREATININE_2 | 0.9103 | 1.1377 | 0.9520 |
Crotanecine_1 | 1.1773 | 0.9336 | 0.8892 |
Crotanecine_2 | 1.2403 | 0.8155 | 0.9442 |
Crotanecine_3 | 2.7295 | 0.1390 | 0.1315 |
Cuauhtemone_1 | 1.1576 | 0.9111 | 0.9313 |
Cuauhtemone_2 | 1.3686 | 0.7812 | 0.8502 |
Cuauhtemone_3 | 1.0382 | 0.8165 | 1.1453 |
Cucurbic acid_1 | 1.0660 | 0.8185 | 1.1155 |
Cucurbic acid_2 | 1.0014 | 0.9686 | 1.0300 |
Cumene_1 | 1.1839 | 0.8540 | 0.9621 |
Cumene_2 | 1.2246 | 0.7909 | 0.9845 |
Cumene_3 | 1.6309 | 0.6266 | 0.7425 |
Cumene_4 | 1.0086 | 0.9544 | 1.0370 |
Cupreine | 4.3723 | 0.0424 | 0.0287 |
Curcumin monoglucoside | 2.0274 | 0.3495 | 0.8775 |
Cyanopyrazine | 1.0224 | 0.7535 | 1.2242 |
Cyclacillin | 1.1822 | 0.9516 | 0.8662 |
Cyclamate | 0.9312 | 0.5474 | 1.5215 |
Cycloheptanecarboxylic acid_1 | 1.0041 | 0.9556 | 1.0404 |
Cycloheptanecarboxylic acid_2 | 1.1158 | 1.0030 | 0.8812 |
Cyclohexane-1,3-dione_1 | 0.9412 | 0.9023 | 1.1565 |
Cyclohexane-1,3-dione_2 | 1.2377 | 0.8937 | 0.8686 |
Cyclohexanol | 1.0394 | 0.9684 | 0.9922 |
Cyclohexanone | 1.1586 | 0.8804 | 0.9611 |
Cyclohexylamine | 1.5786 | 0.7115 | 0.7100 |
Cyclokievitone_1 | 1.0568 | 0.8726 | 1.0707 |
Cyclokievitone_2 | 3.9090 | 0.0281 | 0.0348 |
Cyclopenta[cd]pyrene | 0.8997 | 1.1788 | 0.9216 |
Cyclopentanone_1 | 1.2566 | 0.8397 | 0.9036 |
Cyclopentanone_2 | 1.2572 | 0.8642 | 0.8786 |
Cyclopentanone_3 | 1.1288 | 0.8284 | 1.0428 |
Cyclophosphamide | 0.1702 | 0.1441 | 1.9855 |
Cyclosulfamuron | 0.7805 | 0.5015 | 1.7181 |
Cysteinyldopa | 1.8497 | 0.5214 | 0.6289 |
Cytidine | 1.2489 | 0.7841 | 0.9670 |
Cytosine_1 | 0.9868 | 0.8065 | 1.2067 |
Cytosine_2 | 1.0634 | 0.9019 | 1.0347 |
D-2-Hydroxyisocaproate_1 | 0.6974 | 0.5928 | 1.7098 |
D-2-Hydroxyisocaproate_2 | 0.7466 | 1.2846 | 0.9688 |
D-2-Hydroxyisocaproate_3 | 1.3759 | 0.8417 | 0.7823 |
D-2-Hydroxyisocaproate_4 | 0.2478 | 2.0593 | 0.6172 |
D-Alanyl-D-alanine_1 | 1.4471 | 0.5980 | 0.9549 |
D-Alanyl-D-alanine_2 | 1.0156 | 0.9907 | 0.9937 |
D-Alanyl-D-serine | 1.1629 | 0.8695 | 0.9676 |
DAMGO | 1.0275 | 1.7527 | 0.3105 |
Danielone | 1.0167 | 0.1498 | 1.8335 |
D-Arabinono-1,4-lactone_1 | 0.9416 | 0.9217 | 1.1368 |
D-Arabinono-1,4-lactone_2 | 1.0409 | 0.9777 | 0.9814 |
D-(-)-ARABINOSE | 0.7304 | 1.0575 | 1.2121 |
Dasytrichone | 0.7983 | 0.9002 | 1.2801 |
Dazomet | 1.4699 | 0.9056 | 0.6245 |
D-Cathinone_1 | 0.7235 | 1.4034 | 0.8731 |
D-Cathinone_2 | 0.6686 | 0.4926 | 1.8388 |
D-Cathinone_3 | 0.3906 | 1.5238 | 1.0856 |
DCI | 0.5690 | 1.3395 | 1.0627 |
Debromoaplysiatoxin | 0.5199 | 1.9867 | 0.1202 |
Dehydroalanine_1 | 1.1564 | 0.6595 | 1.1841 |
Dehydroalanine_2 | 1.1660 | 0.9694 | 0.8646 |
Dehydrocycloguanandin | 0.8879 | 1.0437 | 1.0684 |
Dehydrojuvabione_1 | 1.0215 | 0.9866 | 0.9920 |
Dehydrojuvabione_2 | 1.2840 | 0.6101 | 1.1059 |
Dehydrojuvabione_3 | 1.2679 | 0.8699 | 0.8622 |
Dehydrovomifoliol_1 | 1.0945 | 0.7402 | 1.1653 |
Dehydrovomifoliol_2 | 1.5347 | 0.2791 | 1.1862 |
Deidaclin | 1.5509 | 0.3227 | 1.1011 |
delta-Guanidinovaleric acid | 1.2505 | 0.9707 | 0.7788 |
Demethylalangiside | 1.2266 | 0.9379 | 0.8180 |
Deoxycoformycin | 1.0960 | 0.8945 | 1.0094 |
Deoxycytidine | 1.4048 | 0.7641 | 0.8312 |
DEOXYCYTIDINE | 1.0860 | 0.8822 | 1.0318 |
Deoxyribose | 0.7010 | 1.3918 | 0.9071 |
Deoxyuridine | 1.2323 | 0.5615 | 1.2062 |
D-Erythrose | 1.2235 | 0.8110 | 0.9655 |
Deserpidine | 1.2232 | 0.8726 | 0.9043 |
Dethiobiotin | 1.1111 | 0.8826 | 1.0063 |
D-Fructose 6-phosphate | 1.0870 | 1.0260 | 0.8870 |
D-(+)-GALACTOSAMINE | 1.1512 | 0.9649 | 0.8839 |
D-Galactose 6-sulfate | 0.2729 | 0.2829 | 2.3410 |
D-Gluconic acid | 1.2012 | 0.9900 | 0.8088 |
D-Glucono-1,5-lactone | 1.3376 | 0.3898 | 1.3405 |
D-Glucose | 1.0760 | 0.9195 | 1.0045 |
Diacetyl | 1.0658 | 0.9899 | 0.9443 |
Diamidafos | 1.0589 | 1.3430 | 0.5981 |
Dianthalexin | 1.4141 | 0.6686 | 0.9172 |
Dibasic sodium phosphate | 1.1030 | 0.9903 | 0.9067 |
Dibenzo[1,4]dioxin-2,3-dione_1 | 1.0151 | 0.7388 | 1.2461 |
Dibenzo[1,4]dioxin-2,3-dione_2 | 1.6928 | 0.2527 | 0.8203 |
Dibenzothiophene_1 | 1.3433 | 1.0113 | 0.6453 |
Dibenzothiophene_2 | 0.7658 | 1.5867 | 0.6475 |
Dibenzylsuccinate | 1.1861 | 0.9932 | 0.8202 |
Dibutyl adipate_1 | 1.0745 | 0.7891 | 1.1364 |
Dibutyl adipate_2 | 1.0061 | 0.9433 | 1.0506 |
Dichloromethane | 1.0129 | 0.9588 | 1.0283 |
Dichlorophen | 0.0778 | 0.3787 | 1.5145 |
Dichlozoline | 1.6979 | 0.9486 | 0.3932 |
Diclomezine | 0.9325 | 1.1017 | 0.9657 |
Dictamnine | 1.1631 | 0.8274 | 1.0095 |
Diethanolamine_1 | 1.0128 | 0.9404 | 1.0468 |
Diethanolamine_2 | 2.6584 | 0.0158 | 0.3258 |
Diethyl 2-methyl-3-oxosuccinate | 1.0208 | 1.0420 | 0.9372 |
Diethylene glycol_1 | 1.1142 | 0.8520 | 1.0337 |
Diethylene glycol_2 | 1.0112 | 1.0077 | 0.9811 |
Diethylene glycol_3 | 0.9720 | 1.0270 | 1.0010 |
Diethylene glycol_4 | 0.4557 | 1.7668 | 0.7775 |
Diethylene glycol_5 | 0.9590 | 0.4409 | 1.6001 |
Diethylphosphoric acid | 1.1164 | 1.1280 | 0.7556 |
Diethyl sulfate | 1.6354 | 0.6754 | 0.6892 |
Difloxacin | 1.1240 | 1.1519 | 0.7241 |
Digitalose | 0.0163 | 2.8954 | 0.0884 |
Dihomomethionine | 1.1024 | 0.7500 | 1.1477 |
Dihydro-4,4-dimethyl-2,3-furandione_1 | 1.2656 | 0.8460 | 0.8885 |
Dihydro-4,4-dimethyl-2,3-furandione_2 | 1.0386 | 1.1252 | 0.8361 |
Dihydro-4,4-dimethyl-2,3-furandione_3 | 1.0040 | 1.0654 | 0.9306 |
Dihydroaceanthrylene | 1.5217 | 0.7575 | 0.7208 |
Dihydrobiopterin_1 | 1.0698 | 0.8849 | 1.0454 |
Dihydrobiopterin_2 | 1.0638 | 0.1506 | 1.7856 |
Dihydroclavaminic acid | 0.9539 | 0.9110 | 1.1351 |
Dihydroeuparin | 1.4214 | 0.5236 | 1.0550 |
Dihydrokaempferol | 0.5363 | 0.9627 | 1.4985 |
Dihydrolipoate | 1.5480 | 0.8981 | 0.5539 |
Dihydro-O-methylsterigmatocystin | 0.0940 | 2.4335 | 0.5101 |
Dihydroxycarbazepine | 1.5225 | 0.5272 | 0.8737 |
Dihydroxyfumarate | 0.0685 | 0.0298 | 2.8371 |
Dihydrozeatin-O-glucoside | 0.4567 | 2.2116 | 0.3317 |
Dihydrozeatin riboside | 0.9682 | 1.2249 | 0.8092 |
Diisopropyl phthalate_1 | 1.2135 | 0.7630 | 1.0234 |
Diisopropyl phthalate_2 | 1.3296 | 0.7250 | 0.9454 |
Diisopropyl phthalate_3 | 0.9935 | 1.1984 | 0.8080 |
Diisopropyl sulfate | 1.1823 | 0.8396 | 0.9782 |
DIMBOA | 0.9071 | 0.8795 | 1.2134 |
Dimepiperate | 1.1622 | 0.9041 | 0.9337 |
Dimexano | 0.9616 | 1.0517 | 0.9868 |
Diphenhydramine_1 | 2.7980 | 0.0135 | 0.1885 |
Diphenhydramine_2 | 2.5963 | 0.0016 | 0.1741 |
Diphenylcarbazide | 1.1767 | 0.8199 | 1.0034 |
Dipropyl disulfide_1 | 1.0958 | 0.8714 | 1.0328 |
Dipropyl disulfide_2 | 1.1787 | 0.9157 | 0.9056 |
dl-Methylephedrine hydrochloride | 1.2745 | 0.7696 | 0.9559 |
D-Lysopine | 1.0653 | 1.0585 | 0.8762 |
D-Mannitol 1-phosphate | 2.4534 | 0.1376 | 0.2436 |
DMPP | 0.2091 | 2.3815 | 0.4094 |
D-Octopine | 1.0949 | 0.9633 | 0.9418 |
Dodecanamide | 1.0039 | 0.9916 | 1.0045 |
Dodecanedioic acid | 1.1540 | 0.7659 | 1.0801 |
Dodecylaldehyde | 0.8397 | 1.1136 | 1.1154 |
Dodemorph | 1.0093 | 0.9832 | 1.0075 |
Dolichotheline | 1.6460 | 0.6075 | 0.7004 |
Domoic acid | 1.4325 | 0.2029 | 1.3934 |
Dopamine_1 | 1.1226 | 0.8707 | 1.0068 |
Dopamine_2 | 1.5916 | 0.6735 | 0.7350 |
Dopaquinone_1 | 1.3961 | 0.7274 | 0.8765 |
Dopaquinone_2 | 1.3466 | 0.5755 | 1.0779 |
Drazoxolon_1 | 1.0882 | 0.9043 | 1.0075 |
Drazoxolon_2 | 0.9567 | 1.0577 | 0.9857 |
D-SORBITOL | 0.6158 | 1.1879 | 1.1963 |
D-Urobilin_1 | 0.0428 | 2.3239 | 0.5809 |
D-Urobilin_2 | 0.0277 | 2.3700 | 0.1161 |
D-Urobilinogen_1 | 0.8769 | 1.1173 | 0.9790 |
D-Urobilinogen_2 | 0.0127 | 3.4649 | 0.0160 |
(E)-4-(Trimethylammonio)but-2-enoate | 1.1600 | 0.7536 | 1.0864 |
E-64 | 1.1298 | 0.5674 | 1.3028 |
Ectocarpen | 1.1235 | 0.7919 | 1.0846 |
Ectoine | 1.0054 | 0.8888 | 1.1058 |
Efavirenz | 2.1849 | 0.1540 | 0.6047 |
(+)-Elaeocarpine | 2.4322 | 0.1688 | 0.2426 |
Encecalin | 1.3570 | 0.7437 | 0.8993 |
Ephedrine | 0.7797 | 1.4619 | 0.7584 |
Epithienamycin B | 2.4645 | 0.0130 | 0.4490 |
Epithienamycin F | 1.7326 | 0.0889 | 0.0797 |
Epoxiconazole | 1.1065 | 0.8834 | 1.0101 |
epsilon-Caprolactam | 0.9341 | 1.1086 | 0.9573 |
erythro-3-Hydroxy-Ls-aspartate | 1.2811 | 1.0537 | 0.6652 |
Estazolam | 2.7164 | 0.0398 | 0.0961 |
ETHANOLAMINE PHOSPHATE | 0.9828 | 1.0926 | 0.9246 |
Ethiofencarb | 1.0992 | 0.7089 | 1.1725 |
Ethionine_1 | 1.1260 | 0.8675 | 1.0065 |
Ethionine_2 | 1.0499 | 0.6016 | 1.3485 |
Ethosuximide | 1.1607 | 0.8129 | 1.0264 |
Ethyl 3-(N-butylacetamido)propionate_1 | 1.0169 | 1.0319 | 0.9512 |
Ethyl 3-(N-butylacetamido)propionate_2 | 0.8881 | 1.1479 | 0.9738 |
Ethyl 3-(N-butylacetamido)propionate_3 | 1.5250 | 0.7749 | 0.7001 |
Ethyl 3-oxohexanoate_1 | 0.9864 | 1.3476 | 0.6660 |
Ethyl 3-oxohexanoate_2 | 2.3312 | 0.3578 | 0.3110 |
Ethyl 3-oxohexanoate_3 | 2.5961 | 0.3280 | 0.0759 |
Ethyl cinnamate | 2.1503 | 0.4569 | 0.3928 |
Ethyl(E,Z)-decadienoate | 1.1608 | 0.7368 | 1.1024 |
Ethyl isovalerate | 1.1445 | 0.8481 | 1.0074 |
Ethyl (R)-3-hydroxyhexanoate | 2.2972 | 0.4464 | 0.3391 |
Ethyl tiglate_1 | 1.0995 | 0.9124 | 0.9881 |
Ethyl tiglate_2 | 0.8536 | 0.9462 | 1.2002 |
Ethyl tiglate_3 | 1.1964 | 1.2157 | 0.5879 |
Etomidate | 1.9251 | 0.5006 | 0.5742 |
Europine | 1.0607 | 0.7597 | 1.1796 |
Euxanthone | 0.9289 | 0.9961 | 1.0749 |
Fagaramide | 2.0051 | 0.0962 | 0.9766 |
Fagomine | 1.0723 | 0.9193 | 1.0084 |
Faropenem sodium_1 | 0.5949 | 1.7513 | 0.6537 |
Faropenem sodium_2 | 0.1226 | 0.1618 | 1.6901 |
Fasoracetam | 1.2252 | 0.8973 | 0.8775 |
Febrifugine | 1.1562 | 0.8548 | 0.9890 |
Fenoldopam | 1.0346 | 0.9296 | 1.0358 |
Fenoprofen | 0.9082 | 1.2322 | 0.8750 |
Fenpiclonil | 0.8876 | 0.4127 | 1.6997 |
Ferrous lactate_1 | 1.0282 | 0.8244 | 1.1473 |
Ferrous lactate_2 | 0.3562 | 1.9180 | 0.7870 |
Flavonol | 0.9181 | 0.9449 | 1.1370 |
Flucloxacillin | 1.5787 | 0.3418 | 0.9864 |
Fluorene | 2.8465 | 0.0570 | 0.0966 |
Fluoroacetamide | 1.0280 | 0.9271 | 1.0450 |
Forchlorfenuron_1 | 1.1209 | 0.9114 | 0.9676 |
Forchlorfenuron_2 | 1.2502 | 1.5380 | 0.2297 |
Formetanate | 0.7038 | 0.7418 | 1.5544 |
Formononetin | 2.0169 | 0.4999 | 0.4832 |
FORMYL-L-METHIONYL PEPTIDE | 1.0806 | 1.0128 | 0.9066 |
Fortimicin FU-10 | 1.0094 | 0.8594 | 1.1311 |
Fosetyl | 1.3049 | 0.5721 | 1.1230 |
Frutinone A | 1.0485 | 0.8920 | 1.0595 |
Fuberidazole | 1.1164 | 0.1807 | 1.5937 |
Fulvine | 1.9696 | 0.5164 | 0.5140 |
Fumarate | 1.0209 | 1.0414 | 0.9377 |
Furametpyr | 1.1592 | 0.8013 | 1.0395 |
Furfural diethyl acetal_1 | 0.9845 | 1.0503 | 0.9652 |
Furfural diethyl acetal_2 | 0.1888 | 0.0969 | 2.7143 |
Furfuryl alcohol_1 | 0.9310 | 1.1884 | 0.8806 |
Furfuryl alcohol_2 | 1.3649 | 0.7196 | 0.9155 |
Furfuryl alcohol_3 | 1.0293 | 0.8703 | 1.1004 |
Furmecyclox_1 | 0.8590 | 0.6610 | 1.4574 |
Furmecyclox_2 | 0.7921 | 2.0916 | 0.0532 |
Fusarin C | 2.4866 | 0.0013 | 0.1172 |
Galipine | 0.9453 | 1.1198 | 0.9349 |
gamma-Coniceine | 0.9396 | 1.0732 | 0.9872 |
gamma-Glutamyl-beta-aminopropiononitrile_1 | 1.6819 | 0.3841 | 0.8929 |
gamma-Glutamyl-beta-aminopropiononitrile_2 | 1.1975 | 0.8158 | 0.9564 |
gamma-Glutamyl-beta-aminopropiononitrile_3 | 1.9956 | 0.5900 | 0.4144 |
gamma-Glutamyl-gamma-aminobutyraldehyde_1 | 1.5165 | 0.6261 | 0.8574 |
gamma-Glutamyl-gamma-aminobutyraldehyde_2 | 1.1918 | 0.7279 | 1.0803 |
gamma-Glutamyltyramine | 0.9825 | 1.1918 | 0.8257 |
gamma-L-Glutamyl-L-cysteine | 1.0121 | 1.0013 | 0.9866 |
gamma-L-Glutamyl-L-cysteinyl-beta-alanine | 1.2119 | 1.3101 | 0.4781 |
gamma-Undecalactone | 0.8452 | 1.0014 | 1.1534 |
Gemfibrozil_1 | 0.9514 | 1.0025 | 1.0461 |
Gemfibrozil_2 | 1.0189 | 0.9904 | 0.9907 |
Gemfibrozil_3 | 0.8419 | 0.6620 | 1.4961 |
Gemfibrozil_4 | 1.1315 | 1.0252 | 0.8433 |
Genipin_1 | 1.0082 | 0.6171 | 1.3747 |
Genipin_2 | 1.4465 | 0.3074 | 1.2461 |
Gentiopicrin | 1.8765 | 0.4860 | 0.6375 |
Geranyl formate | 1.1819 | 0.7221 | 1.0959 |
Gerrardine | 1.0290 | 0.8830 | 1.0880 |
Gibberellin A8 | 2.4724 | 0.1786 | 0.2438 |
Gigantine | 2.2156 | 0.4956 | 0.1793 |
Ginkgolide B | 1.2070 | 0.8425 | 0.9505 |
Ginkgolide C | 1.3346 | 0.6954 | 0.9497 |
Glaucarubinone | 1.3193 | 0.5990 | 1.0817 |
Gliotoxin | 0.9262 | 2.2084 | 0.2017 |
Glutarate | 0.9431 | 1.0874 | 0.9694 |
Glutathionylaminopropylcadaverine | 1.0650 | 0.9784 | 0.9566 |
Glyburide | 2.9872 | 0.0008 | 0.0120 |
Glycerol_1 | 0.8908 | 0.8930 | 1.2162 |
Glycerol_2 | 0.4200 | 0.9371 | 1.9000 |
Glycerone | 0.9642 | 1.0329 | 1.0029 |
GLYCINE | 0.8818 | 1.0558 | 1.0624 |
Glycine_1 | 1.1039 | 0.6729 | 1.2231 |
Glycine_2 | 1.0737 | 0.9029 | 1.0233 |
Glycocholate | 1.3449 | 0.5782 | 1.0769 |
Glycyl-leucine_1 | 1.0452 | 0.9233 | 1.0315 |
Glycyl-leucine_2 | 2.4747 | 0.0078 | 0.5175 |
Glyphosate-isopropylammonium | 1.2719 | 1.1123 | 0.6158 |
Gossypetin | 1.0411 | 0.9242 | 1.0347 |
Guanadrel | 0.3490 | 1.8043 | 1.0081 |
GUANIDINOACETATE | 1.0216 | 1.0468 | 0.9316 |
Guanidinoethyl methyl phosphate_1 | 1.2238 | 0.7635 | 1.0127 |
Guanidinoethyl methyl phosphate_2 | 1.0243 | 1.1134 | 0.8624 |
GUANINE | 1.0334 | 0.8691 | 1.0975 |
Guanine_1 | 1.1043 | 0.8060 | 1.0897 |
Guanine_2 | 1.1094 | 0.8766 | 1.0140 |
Guanosine | 1.2921 | 0.9127 | 0.7952 |
HC Blue No.1 | 0.8884 | 1.5963 | 0.5153 |
HC Blue No. 2 | 1.0431 | 1.0428 | 0.9141 |
Heliotrine_1 | 0.6736 | 1.8516 | 0.5316 |
Heliotrine_2 | 1.3075 | 0.9001 | 0.7925 |
Helveticoside | 1.0250 | 0.8385 | 1.1257 |
Heptadecatrienoic acid | 1.9281 | 0.4484 | 0.4707 |
Hercynine | 0.9879 | 0.9404 | 1.0717 |
Hesperetin | 0.5590 | 0.9178 | 1.4315 |
Heterodendrin_1 | 1.1260 | 0.8703 | 1.0037 |
Heterodendrin_2 | 1.2086 | 0.8903 | 0.9011 |
Hexadecasphinganine | 1.0074 | 0.9819 | 1.0107 |
Hexahomomethionine | 1.1204 | 0.7683 | 1.1113 |
Hexylamine | 0.9966 | 0.9584 | 1.0450 |
Hinokitiol glucoside | 1.0949 | 0.9227 | 0.9824 |
Hippurate | 0.4509 | 0.4816 | 2.0676 |
Histamine | 1.1170 | 0.8613 | 1.0217 |
HISTAMINE | 0.8078 | 1.2436 | 0.9486 |
Homoarginine | 1.0829 | 0.9356 | 0.9815 |
Homocarnosine | 0.9174 | 1.3635 | 0.7191 |
Homogentisate_1 | 0.7315 | 0.3948 | 1.8737 |
Homogentisate_2 | 0.9821 | 0.3583 | 1.6596 |
Homogentisate_3 | 0.6941 | 1.9211 | 0.3848 |
Homostachydrine_1 | 0.9880 | 0.7702 | 1.2418 |
Homostachydrine_2 | 0.9526 | 0.7954 | 1.2520 |
Hydantoin-5-propionate_1 | 1.0969 | 0.9427 | 0.9604 |
Hydantoin-5-propionate_2 | 1.2437 | 0.8134 | 0.9429 |
Hydrocortisone succinate | 0.7290 | 1.4570 | 0.9043 |
(-)-Hygroline | 0.8290 | 1.2249 | 0.9461 |
Hymexazol O-glucoside | 1.1311 | 0.8289 | 1.0400 |
Hyoscyamine methylbromide | 1.1366 | 0.8447 | 1.0187 |
Hypaphorine | 1.3582 | 0.5834 | 1.0585 |
HYPOXANTHINE | 1.0309 | 1.0388 | 0.9303 |
Hypoxylone | 1.1221 | 0.9146 | 0.9634 |
Ibuprofen | 0.3115 | 1.3670 | 1.3215 |
Ifosfamide | 1.1119 | 0.8504 | 1.0376 |
Imazosulfuron | 0.3749 | 0.4979 | 2.1272 |
Imidazol-5-yl-pyruvate_1 | 1.0621 | 0.9346 | 1.0033 |
Imidazol-5-yl-pyruvate_2 | 1.1573 | 0.9297 | 0.9130 |
Iminoglycine_1 | 0.8134 | 1.1493 | 1.0372 |
Iminoglycine_2 | 0.6886 | 1.8305 | 0.4809 |
Indan-1-ol_1 | 0.8886 | 1.0576 | 1.0537 |
Indan-1-ol_2 | 0.3351 | 1.9625 | 0.7024 |
Indanofan | 0.7789 | 0.8712 | 1.3499 |
Indole | 0.4599 | 0.4902 | 2.0499 |
Indole-3-acetaldehyde_1 | 1.1572 | 0.7701 | 1.0728 |
Indole-3-acetaldehyde_2 | 0.3814 | 0.4707 | 2.1479 |
Indole-3-acetaldehyde_3 | 0.7410 | 0.1745 | 2.0846 |
Indole-3-acetaldoxime N-oxide | 1.3472 | 0.6436 | 1.0092 |
Indole-3-acetate_1 | 1.0594 | 0.7957 | 1.1450 |
Indole-3-acetate_2 | 0.9467 | 1.0150 | 1.0382 |
Indole-3-acetate_3 | 0.7800 | 1.2852 | 0.9348 |
Indole-5,6-quinone_1 | 1.3888 | 0.7862 | 0.8250 |
Indole-5,6-quinone_2 | 1.1919 | 0.8677 | 0.9404 |
Indole-5,6-quinone_3 | 1.1834 | 0.9178 | 0.8989 |
Indole-5,6-quinone_4 | 1.2807 | 0.7570 | 0.9623 |
Indolelactate_1 | 0.9861 | 0.9573 | 1.0567 |
Indolelactate_2 | 1.5966 | 0.7650 | 0.6384 |
Indospicine | 1.1732 | 0.9414 | 0.8854 |
Inosine | 1.0454 | 0.9251 | 1.0295 |
Inulicin | 0.9507 | 1.0637 | 0.9856 |
Iprovalicarb | 0.5096 | 1.8475 | 0.6940 |
Irisxanthone | 2.3776 | 0.0562 | 0.1617 |
Isobutyronitrile_1 | 1.0651 | 0.9738 | 0.9611 |
Isobutyronitrile_2 | 1.1022 | 0.4897 | 1.4081 |
ISOCITRIC ACID | 1.1164 | 0.8702 | 1.0135 |
Isoetharine | 1.7270 | 0.6421 | 0.6310 |
Isofenphos | 1.1258 | 0.8794 | 0.9948 |
Isoflavone | 0.2702 | 2.4976 | 0.2843 |
Isoflurophate_1 | 1.4060 | 0.7837 | 0.8103 |
Isoflurophate_2 | 0.9818 | 0.7069 | 1.3113 |
Isopentenyl diphosphate_1 | 1.1327 | 0.8008 | 1.0666 |
Isopentenyl diphosphate_2 | 0.5669 | 0.4180 | 1.8121 |
Isopentenyl diphosphate_3 | 0.8716 | 1.7020 | 0.4264 |
Isoprothiolane | 0.9648 | 0.7335 | 1.3017 |
Isoquinoline_1 | 0.9990 | 0.9195 | 1.0816 |
Isoquinoline_2 | 1.2955 | 0.8596 | 0.8449 |
Isoscoparine | 0.4231 | 1.4079 | 1.3613 |
Isosorbide mononitrate | 1.2087 | 0.7507 | 1.0406 |
Isouron | 0.6186 | 1.4831 | 0.9746 |
Isovalerylcarnitine | 0.8833 | 0.6744 | 1.4423 |
Isoxanthopterin | 1.0386 | 0.7604 | 1.2009 |
Istamycin C1 | 1.0946 | 0.8868 | 1.0187 |
Istamycin FU-10 | 2.0526 | 0.5368 | 0.4106 |
Jasmone_1 | 1.1406 | 0.8618 | 0.9976 |
Jasmone_2 | 0.1169 | 0.0582 | 2.3749 |
(-)-Jasmonic acid | 1.2846 | 0.8369 | 0.8786 |
Jatrophatrione | 1.6178 | 0.9256 | 0.4417 |
Kievitone | 2.0325 | 0.0131 | 0.2812 |
Kikkanol A | 1.1299 | 1.0434 | 0.8268 |
Kurarinol | 1.9722 | 0.1702 | 0.6145 |
L-2,3-Dihydrodipicolinate | 0.6518 | 1.5820 | 0.7662 |
L-2-Amino-4-(hydroxymethylphosphinyl)butanoate | 1.7436 | 1.0325 | 0.2238 |
L-2-Aminoadipate | 1.1607 | 0.8373 | 1.0020 |
L-Adrenaline_1 | 0.2167 | 0.3293 | 2.4539 |
L-Adrenaline_2 | 1.4710 | 0.6260 | 0.9029 |
L-ALLOTHREONINE | 0.9547 | 1.0617 | 0.9837 |
Lamioside | 0.8941 | 1.0199 | 1.0860 |
L-ARGININE | 1.0716 | 0.9847 | 0.9437 |
L-Arogenate_1 | 1.0325 | 0.9449 | 1.0227 |
L-Arogenate_2 | 1.1133 | 0.8855 | 1.0012 |
L-Aspartate | 1.0739 | 0.9146 | 1.0115 |
L-Aspartate 4-semialdehyde | 1.8648 | 0.6109 | 0.5243 |
Latia luciferin_1 | 1.2088 | 0.8083 | 0.9829 |
Latia luciferin_2 | 1.0383 | 0.9271 | 1.0346 |
L-CARNITINE | 0.8541 | 0.9449 | 1.2010 |
L-Citrulline | 1.1667 | 0.9060 | 0.9273 |
L-Cladinose_1 | 1.1687 | 0.8070 | 1.0242 |
L-Cladinose_2 | 0.5869 | 1.8289 | 0.5843 |
L-Cysteine | 1.2061 | 0.9110 | 0.8828 |
LEUCINE | 1.0777 | 0.9357 | 0.9866 |
Leukotriene A4 | 2.2557 | 0.3463 | 0.3980 |
Levamisole hydrochloride | 0.7857 | 1.1425 | 1.0717 |
Levetiracetam_1 | 1.0373 | 0.7114 | 1.2513 |
Levetiracetam_2 | 0.9697 | 1.1692 | 0.8610 |
L-Formylkynurenine_1 | 1.1251 | 0.8876 | 0.9873 |
L-Formylkynurenine_2 | 1.1038 | 0.8253 | 1.0709 |
L-Formylkynurenine_3 | 1.2650 | 0.7403 | 0.9947 |
L-Glutamate | 1.4319 | 0.6496 | 0.9185 |
L-Glutamine | 1.1858 | 0.8501 | 0.9641 |
L-GLUTAMINE | 0.9146 | 1.0089 | 1.0766 |
L-HISTIDINE | 0.9552 | 0.9518 | 1.0930 |
L-Histidinol | 1.5744 | 1.1277 | 0.2979 |
L-Homocitrulline_1 | 0.8854 | 1.3431 | 0.7716 |
L-Homocitrulline_2 | 1.0897 | 0.9027 | 1.0077 |
Lichenin_1 | 1.1648 | 0.7863 | 1.0489 |
Lichenin_2 | 0.7090 | 0.4600 | 1.8310 |
L-Iduronate 2-sulfate | 1.1248 | 0.8197 | 1.0555 |
(-)-Limonene_1 | 0.9737 | 0.9088 | 1.1175 |
(-)-Limonene_2 | 1.6946 | 0.5828 | 0.7227 |
(-)-Limonene_3 | 0.9433 | 1.0249 | 1.0318 |
Linamarin | 1.1328 | 0.8837 | 0.9835 |
Lindheimerine | 1.8421 | 0.0356 | 0.2802 |
Linoleate | 1.0042 | 0.9908 | 1.0051 |
Linuron | 0.5407 | 1.8084 | 0.6510 |
Lipoamide | 1.1433 | 0.8355 | 1.0212 |
Liriodenine | 0.3581 | 2.0717 | 0.6008 |
L-Kynurenine | 1.7085 | 0.8127 | 0.4788 |
LL-2,6-Diaminoheptanedioate_1 | 1.1051 | 0.8136 | 1.0812 |
LL-2,6-Diaminoheptanedioate_2 | 1.2309 | 0.8574 | 0.9117 |
L-Leucine | 1.2187 | 0.9347 | 0.8466 |
L-Lysinamide | 1.8380 | 0.9266 | 0.1755 |
L-LYSINE | 1.0127 | 1.0193 | 0.9680 |
L-Lysine 1,6-lactam | 1.0617 | 0.9770 | 0.9613 |
L-Metanephrine_1 | 0.7405 | 1.1716 | 1.0880 |
L-Metanephrine_2 | 1.1789 | 1.0535 | 0.7676 |
L-Methionine | 1.0871 | 0.8994 | 1.0135 |
L-Methionine S-oxide | 1.1703 | 0.9129 | 0.9168 |
L-Mimosine_1 | 1.8694 | 0.4960 | 0.6346 |
L-Mimosine_2 | 0.8379 | 0.1282 | 2.1134 |
L-Octanoylcarnitine | 1.2515 | 0.8262 | 0.9223 |
Lophophorine | 1.4405 | 0.7730 | 0.7865 |
L-ORNITHINE | 0.9191 | 1.0305 | 1.0503 |
L-Phenylalanine_1 | 1.1126 | 0.8679 | 1.0196 |
L-Phenylalanine_2 | 1.0877 | 0.8376 | 1.0748 |
L-Pipecolate | 1.3349 | 0.7117 | 0.9534 |
L-Proline | 1.3828 | 0.9005 | 0.7167 |
L-SERINE | 0.9382 | 0.9984 | 1.0633 |
L-Threonine | 0.9537 | 0.9599 | 1.0863 |
L-Tryptophan | 1.0491 | 0.8436 | 1.1073 |
L-Tryptophanamide | 1.1770 | 0.8520 | 0.9710 |
L-Tyrosine_1 | 1.0950 | 0.8596 | 1.0454 |
L-Tyrosine_2 | 0.2437 | 0.3253 | 2.4310 |
L-Tyrosine methyl ester_1 | 1.4861 | 0.6648 | 0.8492 |
L-Tyrosine methyl ester_2 | 0.4948 | 0.4763 | 2.0289 |
L-Tyrosine methyl ester 4-sulfate | 1.4032 | 0.4717 | 1.1252 |
Lumichrome | 2.4216 | 0.1622 | 0.4162 |
L-Urobilin | 0.4565 | 1.2860 | 1.2318 |
Luteolin | 0.9803 | 1.1458 | 0.8739 |
L-Valine | 1.0728 | 0.9693 | 0.9580 |
M1 | 1.0309 | 0.3706 | 1.5985 |
Maclurin | 1.0160 | 0.8966 | 1.0874 |
Maleimide | 0.8339 | 1.2099 | 0.9562 |
Mallotophenone | 1.5469 | 0.6436 | 0.8094 |
MANNOSE | 1.1663 | 0.8699 | 0.9637 |
m-Chlorophenylpiperazine | 0.8858 | 1.7102 | 0.4040 |
(+)-Medicarpin | 0.2793 | 0.1627 | 2.3093 |
Melamine | 0.9559 | 1.0088 | 1.0353 |
Melicopine | 2.2039 | 0.0990 | 0.6971 |
Menadiol_1 | 1.3803 | 0.6954 | 0.9244 |
Menadiol_2 | 1.4439 | 0.9321 | 0.6240 |
Menadiol_3 | 1.4254 | 0.7549 | 0.8197 |
Menadione | 1.0201 | 0.7013 | 1.2785 |
Menadione sodium bisulfite | 1.9835 | 0.7173 | 0.2993 |
(-)-Menthone_1 | 0.7466 | 1.2735 | 0.9799 |
(-)-Menthone_2 | 1.2550 | 0.7800 | 0.9650 |
(-)-Menthyl acetate_1 | 1.0198 | 0.9765 | 1.0038 |
(-)-Menthyl acetate_2 | 1.0060 | 0.9708 | 1.0232 |
(-)-Menthyl acetate_3 | 0.9481 | 0.9731 | 1.0788 |
(-)-Menthyl acetate_4 | 1.3125 | 0.8719 | 0.8156 |
Meperidine | 0.1992 | 2.9905 | 0.0315 |
Mescaline_1 | 1.0317 | 0.7845 | 1.1838 |
Mescaline_2 | 1.0803 | 1.0897 | 0.8300 |
Mescaline_3 | 1.0742 | 1.3324 | 0.5934 |
Metaxalone_1 | 1.0610 | 1.0205 | 0.9185 |
Metaxalone_2 | 1.0068 | 0.8130 | 1.1802 |
Metazachlor | 1.1651 | 0.8825 | 0.9524 |
Meteloidine | 2.8559 | 0.0645 | 0.0786 |
Methamphetamine | 1.1959 | 1.1999 | 0.6042 |
Methasulfocarb | 0.9769 | 1.0387 | 0.9854 |
Methohexital | 0.9888 | 0.9672 | 1.0441 |
Methyl 2-diazoacetamidohexonate | 1.2744 | 0.4058 | 1.3198 |
METHYL BETA-D-GALACTOSIDE | 0.3137 | 0.4741 | 2.2121 |
Methyldopa anhydrous_1 | 1.0710 | 0.8894 | 1.0395 |
Methyldopa anhydrous_2 | 1.2156 | 1.2258 | 0.5586 |
Methyldopa anhydrous_3 | 0.5707 | 0.4925 | 1.9368 |
Methyleugenol_1 | 1.0327 | 0.9677 | 0.9996 |
Methyleugenol_2 | 1.1543 | 0.7919 | 1.0538 |
Methyl farnesoate_1 | 1.1145 | 0.7980 | 1.0875 |
Methyl farnesoate_2 | 1.2785 | 1.3054 | 0.4162 |
METHYLMALONATE | 1.1349 | 0.8529 | 1.0122 |
Methylripariochromene A | 0.3240 | 2.4655 | 0.2105 |
Methyltrienolone | 1.0784 | 0.7425 | 1.2031 |
Metipranolol | 1.1114 | 0.8651 | 1.0235 |
Metoprolol | 0.0003 | 1.8330 | 0.0004 |
Metronidazole | 1.2161 | 0.8618 | 0.9221 |
Mexiletine | 1.2863 | 1.0202 | 0.6935 |
Midazolam_1 | 1.4147 | 0.8635 | 0.7218 |
Midazolam_2 | 1.4465 | 0.8520 | 0.7015 |
Midodrine_1 | 1.0822 | 0.8039 | 1.1138 |
Midodrine_2 | 1.4127 | 0.8406 | 0.7360 |
Miotine_1 | 1.5173 | 0.7018 | 0.7809 |
Miotine_2 | 0.4341 | 2.2096 | 0.3027 |
Miraxanthin-II | 2.2193 | 0.1351 | 0.0724 |
Montanin A | 1.0081 | 0.9883 | 1.0036 |
Monuron | 1.2854 | 0.8312 | 0.8834 |
MTIC | 0.9018 | 0.8057 | 1.2925 |
Mukaadial | 0.9390 | 1.5898 | 0.4712 |
MYO-INOSITOL | 1.0898 | 0.9999 | 0.9104 |
Myriocin_1 | 1.5172 | 0.5992 | 0.8836 |
Myriocin_2 | 1.1546 | 0.7782 | 1.0672 |
Myristoleic acid_1 | 0.9778 | 1.0249 | 0.9973 |
Myristoleic acid_2 | 1.4863 | 0.6559 | 0.8578 |
N1-Acetylspermidine_1 | 1.0231 | 0.9456 | 1.0313 |
N1-Acetylspermidine_2 | 1.4023 | 0.5472 | 1.0504 |
N1-Acetyl-tabtoxinine-beta-lactam | 1.0246 | 1.0103 | 0.9651 |
N1-Methyl-2-pyridone-5-carboxamide | 1.0450 | 0.8342 | 1.1208 |
N1,N12-Diacetylspermine | 1.1567 | 0.8644 | 0.9789 |
N2^-Acetylgentamicin C1a | 0.9425 | 0.7496 | 1.3079 |
N2-Acetyl-L-aminoadipate_1 | 0.9804 | 0.9713 | 1.0483 |
N2-Acetyl-L-aminoadipate_2 | 1.2220 | 0.7397 | 1.0383 |
N2-Acetyl-L-aminoadipate_3 | 1.7053 | 0.5974 | 0.6973 |
N2-Acetyl-L-aminoadipate_4 | 0.9677 | 0.4693 | 1.5630 |
N2-Acetyl-L-aminoadipate_5 | 1.2882 | 0.9611 | 0.7507 |
N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine | 2.3265 | 0.1438 | 0.5298 |
N-(2-Methoxyphenyl)-N^-(2-naphtyl)urea | 0.9505 | 0.8748 | 1.1748 |
N-(3-Oxododecanoyl)homoserine lactone | 1.2604 | 0.9114 | 0.8281 |
N-(3-Oxohexanoyl)homoserine lactone | 1.3107 | 0.7283 | 0.9610 |
N-(3-Oxooctanoyl)homoserine lactone | 2.1478 | 0.3915 | 0.4608 |
N6-Acetyl-N6-hydroxy-L-lysine | 0.6713 | 1.5114 | 0.7954 |
N-(6-Aminohexanoyl)-6-aminohexanoate_1 | 0.9513 | 1.0297 | 1.0190 |
N-(6-Aminohexanoyl)-6-aminohexanoate_2 | 1.3807 | 0.8737 | 0.7456 |
N6-Methyl-L-lysine_1 | 0.9756 | 0.9417 | 1.0827 |
N6-Methyl-L-lysine_2 | 1.0419 | 0.9728 | 0.9852 |
N6,N6-Dimethyladenosine | 1.0970 | 0.8861 | 1.0170 |
N-Acetoxy-4-aminobiphenyl | 0.8095 | 1.2211 | 0.9694 |
N-Acetylaspartylglutamate | 1.1235 | 0.8856 | 0.9908 |
N-Acetyl-D-fucosamine | 1.2774 | 0.8414 | 0.8812 |
N-ACETYL-D-GALACTOSAMINE | 1.0877 | 0.9114 | 1.0010 |
N-Acetyl-D-glucosaminate | 0.8722 | 1.1533 | 0.9744 |
N-ACETYL-DL-GLUTAMIC ACID | 1.0309 | 0.9085 | 1.0606 |
N-ACETYL-DL-SERINE | 1.1251 | 0.8868 | 0.9880 |
N-Acetyl-D-tryptophan | 0.9600 | 1.0676 | 0.9724 |
N-ACETYL-L-ASPARTIC ACID | 1.0769 | 0.8807 | 1.0424 |
N-Acetyl-L-citrulline | 0.9635 | 0.9221 | 1.1144 |
N-Acetyl-L-glutamate_1 | 1.0386 | 0.9733 | 0.9882 |
N-Acetyl-L-glutamate_2 | 1.4276 | 0.7365 | 0.8359 |
N-Acetyl-L-glutamate 5-semialdehyde_1 | 1.0823 | 0.9051 | 1.0127 |
N-Acetyl-L-glutamate 5-semialdehyde_2 | 0.9558 | 0.9321 | 1.1121 |
N-Acetyl-L-glutamate 5-semialdehyde_3 | 1.1668 | 0.8068 | 1.0264 |
N-Acetyl-L-histidine_1 | 0.9915 | 0.9371 | 1.0713 |
N-Acetyl-L-histidine_2 | 0.6406 | 1.9456 | 0.4138 |
N-ACETYL-L-LEUCINE | 1.0710 | 1.1314 | 0.7975 |
N-Acetyl-L-leucine_1 | 1.0966 | 0.9580 | 0.9454 |
N-Acetyl-L-leucine_2 | 2.0571 | 0.5087 | 0.4342 |
N-Acetyl-L-phenylalanine_1 | 1.1980 | 0.7492 | 1.0528 |
N-Acetyl-L-phenylalanine_2 | 1.1398 | 1.0079 | 0.8523 |
N-Acetylmethionine_1 | 0.9805 | 1.0796 | 0.9399 |
N-Acetylmethionine_2 | 0.6746 | 0.7356 | 1.5898 |
N-Acetylmuramic acid 6-phosphate | 1.0578 | 0.7845 | 1.1578 |
N-ACETYLNEURAMINATE | 1.0253 | 0.9028 | 1.0719 |
N-Acetylornithine_1 | 0.8767 | 1.7200 | 0.4033 |
N-Acetylornithine_2 | 1.8562 | 0.2062 | 0.9376 |
N-(Acetyloxy)benzenamine_1 | 0.6038 | 0.4674 | 1.9288 |
N-(Acetyloxy)benzenamine_2 | 2.6775 | 0.0137 | 0.3088 |
N-(Acetyloxy)benzenamine_3 | 1.4461 | 0.9908 | 0.5631 |
N-(Acetyloxy)benzenamine_4 | 1.6049 | 0.4940 | 0.9011 |
N-ACETYLPUTRESCINE | 1.0417 | 0.9662 | 0.9922 |
N(alpha)-Benzyloxycarbonyl-L-leucine_1 | 0.5021 | 0.4194 | 2.0786 |
N(alpha)-Benzyloxycarbonyl-L-leucine_2 | 0.6872 | 1.6114 | 0.7014 |
N-Amidino-L-glutamate | 1.1115 | 0.8756 | 1.0130 |
Naphthalene-1,2-diol | 1.1364 | 0.7983 | 1.0653 |
Naringenin | 0.5191 | 1.0153 | 1.4666 |
Naringenin 7-O-beta-D-glucoside | 0.5295 | 1.1265 | 1.5068 |
N-Benzyloxycarbonylglycine | 1.4258 | 0.7124 | 0.8618 |
NBMPR | 0.1459 | 2.3106 | 0.0870 |
N-Caffeoylputrescine | 1.2580 | 1.4765 | 0.2655 |
N-Carbamoyl-L-aspartate | 1.0968 | 0.8975 | 1.0057 |
N-Carbamyl-L-glutamate | 1.1629 | 1.2692 | 0.5679 |
N-Cyclohexylformamide_1 | 0.9881 | 0.8730 | 1.1389 |
N-Cyclohexylformamide_2 | 1.4671 | 0.8734 | 0.6595 |
N-Cyclopropylammeline | 0.7371 | 0.9924 | 1.2706 |
n-Decanohydroxamic acid_1 | 0.5729 | 1.1982 | 1.2595 |
n-Decanohydroxamic acid_2 | 0.2349 | 1.6929 | 1.4548 |
N-D-Glucosylarylamine_1 | 0.6312 | 1.5190 | 0.8499 |
N-D-Glucosylarylamine_2 | 0.8756 | 0.8268 | 1.2976 |
N-D-Glucosylarylamine_3 | 1.8606 | 0.3084 | 0.6213 |
N-Dimethyl-2-aminoethylphosphonate | 0.9674 | 0.9249 | 1.1078 |
Nebularine | 0.8885 | 1.3095 | 0.8020 |
Neopterin_1 | 1.1928 | 0.7792 | 1.0281 |
Neopterin_2 | 0.9964 | 0.8340 | 1.1693 |
Neostigmine bromide | 1.2829 | 0.4726 | 1.2445 |
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 1.0230 | 0.9691 | 1.0078 |
N-Ethylmaleimide-S-glutathione | 0.8794 | 1.4114 | 0.7092 |
Netilmicin | 1.4710 | 1.1105 | 0.4185 |
Nevirapine_1 | 1.4193 | 0.8938 | 0.6869 |
Nevirapine_2 | 1.1145 | 0.7664 | 1.1191 |
N-Feruloylglycine | 1.0617 | 0.6441 | 1.2942 |
N-Formimino-L-aspartate | 1.4984 | 0.7896 | 0.7121 |
N-Formimino-L-glutamate | 0.8954 | 0.9262 | 1.1783 |
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine | 0.8094 | 0.7638 | 1.4268 |
N-Formyl-L-aspartate | 0.2199 | 0.1348 | 2.5355 |
N-Formylmethionine_1 | 1.4383 | 0.6625 | 0.8991 |
N-Formylmethionine_2 | 1.2134 | 0.5617 | 1.1957 |
N-Guanylhistamine | 2.3323 | 0.0947 | 0.0451 |
N-Heptanoylhomoserine lactone | 1.4590 | 0.8334 | 0.7076 |
N-Hydroxy-4-aminobiphenyl | 0.8096 | 1.8319 | 0.3457 |
N-Hydroxy-L-valine | 1.1755 | 0.9821 | 0.8424 |
Nicarbazin | 2.9226 | 0.0225 | 0.0468 |
Nicotianamine | 1.1666 | 1.0434 | 0.7900 |
Nicotinamide | 1.0916 | 0.9494 | 0.9589 |
Nicotine | 1.9681 | 0.4041 | 0.5881 |
Nicotinurate | 1.0915 | 0.8904 | 1.0181 |
Nicotyrine_1 | 1.1281 | 0.8395 | 1.0324 |
Nicotyrine_2 | 1.1111 | 0.8556 | 1.0333 |
Nifedipine | 1.0220 | 0.9721 | 1.0059 |
Nifuradene | 1.0756 | 1.0259 | 0.8985 |
Nifurthiazole | 0.1772 | 0.2274 | 2.2536 |
N-Isopropylammelide_1 | 0.9419 | 1.4016 | 0.6566 |
N-Isopropylammelide_2 | 1.0987 | 1.0545 | 0.8359 |
N-Isopropylammelide_3 | 1.5859 | 0.9170 | 0.4971 |
N-Isopropylammelide_4 | 1.1993 | 0.9794 | 0.8070 |
Nithiazide | 1.0975 | 1.0525 | 0.8500 |
Nitralin | 0.8862 | 1.1210 | 0.9928 |
Nitramine | 0.0075 | 0.0097 | 2.1896 |
Nitrovin | 0.3311 | 2.2447 | 0.0685 |
N-(L-Arginino)succinate | 2.3372 | 0.1198 | 0.0927 |
N-Methyl-2-pyrrolidinone_1 | 1.3029 | 1.0793 | 0.6179 |
N-Methyl-2-pyrrolidinone_2 | 1.0955 | 0.8250 | 1.0795 |
N-Methylaniline | 0.6539 | 0.8595 | 1.4866 |
N-Methylethanolamine phosphate | 0.9683 | 1.0703 | 0.9614 |
N-Methylhexanamide_1 | 1.0370 | 0.7417 | 1.2212 |
N-Methylhexanamide_2 | 1.6136 | 0.5135 | 0.8729 |
N-Methylpelletierine_1 | 0.6548 | 0.8621 | 1.4278 |
N-Methylpelletierine_2 | 0.5934 | 0.7142 | 1.6923 |
N-Methyl-(R,S)-tetrahydrobenzylisoquinoline | 0.9600 | 0.9954 | 1.0446 |
N-Methyltryptamine | 1.0812 | 0.7691 | 1.1497 |
N-Monomethyl-2-aminoethylphosphonate | 0.9156 | 1.0128 | 1.0716 |
N,N-Dihydroxy-L-tyrosine | 0.3401 | 0.3482 | 2.2185 |
N,N^-Dimethylurea | 1.3870 | 0.9452 | 0.6678 |
N^-Nitrosoanabasine | 2.3811 | 0.1242 | 0.3070 |
N^-Nitrosoanatabine | 1.0767 | 0.8260 | 1.0973 |
N-Nitrosodiethylamine | 0.8576 | 0.9387 | 1.2038 |
N-Nitrosodi-n-butylamine_1 | 1.1535 | 0.8349 | 1.0116 |
N-Nitrosodi-n-butylamine_2 | 2.0397 | 0.5564 | 0.4039 |
N-Nitrosoguvacoline | 1.2690 | 0.8968 | 0.8342 |
N-Nitrosopiperidine | 1.1003 | 0.9482 | 0.9515 |
N-Nitrosoproline | 1.7143 | 0.6327 | 0.6530 |
Nona-2,6-dienal | 1.1328 | 0.8044 | 1.0628 |
Nonane-4,6-dione_1 | 1.0285 | 0.9893 | 0.9822 |
Nonane-4,6-dione_2 | 1.1687 | 0.7976 | 1.0337 |
Nonanoic acid_1 | 1.0186 | 0.9636 | 1.0178 |
Nonanoic acid_2 | 1.3940 | 0.8956 | 0.6897 |
(+)-Norephedrine_1 | 0.8264 | 1.4386 | 0.7350 |
(+)-Norephedrine_2 | 0.3512 | 1.4244 | 1.2243 |
Northienamycin_1 | 1.4120 | 0.9545 | 0.6335 |
Northienamycin_2 | 1.1380 | 0.6916 | 1.1705 |
N(PAI)-METHYL-L-HISTIDINE | 1.1129 | 0.9561 | 0.9310 |
N(pi)-Methyl-L-histidine | 1.1888 | 0.8793 | 0.9319 |
N-((R)-Pantothenoyl)-L-cysteine_1 | 1.1677 | 0.8626 | 0.9698 |
N-((R)-Pantothenoyl)-L-cysteine_2 | 0.9608 | 0.9425 | 1.0967 |
N-Succinyl-L-glutamate | 1.0963 | 0.9755 | 0.9282 |
N-Succinyl-LL-2,6-diaminoheptanedioate | 1.2544 | 0.7426 | 1.0030 |
N-Sulfo-D-glucosamine_1 | 1.0915 | 0.8252 | 1.0832 |
N-Sulfo-D-glucosamine_2 | 0.6154 | 0.5206 | 1.8640 |
N-Trimethyl-2-aminoethylphosphonate_1 | 1.0517 | 0.8451 | 1.1032 |
N-Trimethyl-2-aminoethylphosphonate_2 | 0.3212 | 0.1404 | 2.5384 |
Nupharamine | 0.3958 | 2.6331 | 0.0418 |
N-Vinyl-2-pyrrolidone_1 | 1.6682 | 0.4305 | 0.9012 |
N-Vinyl-2-pyrrolidone_2 | 0.5851 | 0.6112 | 1.8037 |
Oblongolide_1 | 1.0718 | 1.0016 | 0.9266 |
Oblongolide_2 | 0.9191 | 1.0773 | 1.0036 |
O-Butanoylcarnitine | 1.1685 | 0.8680 | 0.9635 |
O-Carbamoyl-L-serine | 0.9512 | 1.0063 | 1.0425 |
Octylamine | 1.0341 | 1.0022 | 0.9636 |
O-Decanoyl-L-carnitine | 0.9988 | 0.9713 | 1.0300 |
Omethoate | 1.4395 | 0.6009 | 0.9596 |
O-Phospho-L-homoserine | 1.0230 | 0.7335 | 1.2434 |
O-Propanoylcarnitine_1 | 1.0977 | 0.8861 | 1.0162 |
O-Propanoylcarnitine_2 | 1.1814 | 0.7705 | 1.0482 |
Orcinol_1 | 0.9825 | 0.8683 | 1.1492 |
Orcinol_2 | 0.5985 | 0.4662 | 1.9354 |
Orcinol_3 | 0.2801 | 0.2666 | 2.4533 |
ortho-Anisidine | 0.8044 | 1.3602 | 0.8354 |
Orthophosphate | 0.9103 | 1.0637 | 1.0259 |
Oryzalin | 1.3477 | 0.9065 | 0.7459 |
Oseltamivir | 1.4674 | 0.7174 | 0.7963 |
O-Succinyl-L-homoserine | 1.1828 | 0.8706 | 0.9466 |
Otonecine_1 | 0.2684 | 0.3896 | 2.3420 |
Otonecine_2 | 1.2265 | 0.9090 | 0.8644 |
Otonecine_3 | 1.1606 | 0.7661 | 1.0733 |
Oxidized Latia luciferin_1 | 1.0082 | 0.9840 | 1.0078 |
Oxidized Latia luciferin_2 | 0.9920 | 1.0007 | 1.0073 |
Oxidized Latia luciferin_3 | 1.0805 | 1.0647 | 0.8548 |
Oxidized Oplophorus luciferin | 0.7836 | 1.3107 | 0.9056 |
Ozagrel hydrochloride | 1.0047 | 0.9225 | 1.0676 |
p-Aminobenzamidine dihydrochloride | 1.2778 | 0.8827 | 0.8396 |
Panfuran S | 1.1232 | 0.9170 | 0.9598 |
Pantothenate | 0.9753 | 0.8084 | 1.2163 |
Pantothenol | 0.6888 | 1.9444 | 0.3216 |
Paramethadione_1 | 1.1626 | 0.9130 | 0.9244 |
Paramethadione_2 | 1.1394 | 0.8734 | 0.9872 |
Parsonsine | 3.6148 | 0.0194 | 0.0195 |
p-Benzoquinone | 1.0235 | 0.9763 | 1.0001 |
p-Benzosemiquinone | 1.4909 | 0.8192 | 0.6899 |
p-Cumate_1 | 0.9088 | 0.9654 | 1.1259 |
p-Cumate_2 | 1.1917 | 0.9251 | 0.8832 |
p-Cumate_3 | 1.1669 | 0.8854 | 0.9477 |
p-Cumate_4 | 0.9645 | 1.0372 | 0.9983 |
p-Cymene_1 | 1.1267 | 0.9819 | 0.8914 |
p-Cymene_2 | 0.9823 | 1.2179 | 0.7998 |
p-Cymene_3 | 1.1088 | 0.7499 | 1.1413 |
Pendimethalin | 1.2541 | 0.8483 | 0.8977 |
Penicillenic acid_1 | 0.4563 | 0.0889 | 2.3719 |
Penicillenic acid_2 | 0.2259 | 0.0967 | 2.2616 |
Pentahomomethionine | 1.1106 | 0.8936 | 0.9958 |
Pentalenene | 1.1227 | 1.2710 | 0.6064 |
Pentanoate_1 | 1.0010 | 1.0194 | 0.9796 |
Pentanoate_2 | 0.6024 | 0.3385 | 2.0591 |
Pentanoate_3 | 1.7344 | 0.4565 | 0.8091 |
Pentobarbital_1 | 1.1348 | 0.9020 | 0.9632 |
Pentobarbital_2 | 1.3725 | 0.9148 | 0.7127 |
Phaseollidin | 1.0304 | 0.9963 | 0.9733 |
Phaseollidin hydrate | 1.0225 | 0.9366 | 1.0409 |
Phenacetin_1 | 1.4761 | 0.8234 | 0.7004 |
Phenacetin_2 | 1.7256 | 0.8319 | 0.4425 |
Phenanthrene-4,5-dicarboxylate | 1.0325 | 0.9909 | 0.9765 |
Phendimetrazine_1 | 1.0009 | 1.0313 | 0.9679 |
Phendimetrazine_2 | 0.9516 | 0.9828 | 1.0656 |
Phenmetrazine | 0.9744 | 1.0227 | 1.0029 |
Phenol | 0.4289 | 0.5246 | 2.0465 |
Phenolphthalin | 1.0138 | 0.9529 | 1.0333 |
Phensuximide | 1.0038 | 0.8970 | 1.0992 |
Phenylacetaldehyde_1 | 1.0887 | 0.8873 | 1.0240 |
Phenylacetaldehyde_2 | 1.1837 | 0.8267 | 0.9896 |
Phenylacetaldehyde_3 | 1.3771 | 0.8324 | 0.7905 |
Phenylacetaldehyde_4 | 2.2757 | 0.3685 | 0.3558 |
Phenyl acetate_1 | 1.1115 | 0.8125 | 1.0759 |
Phenyl acetate_2 | 1.1016 | 0.9074 | 0.9911 |
Phenyl acetate_3 | 1.3792 | 0.8245 | 0.7963 |
Phenylacetylglutamine | 1.3175 | 0.8553 | 0.8272 |
Phenylamil | 1.0273 | 0.8677 | 1.1050 |
Phenylethyl alcohol_1 | 1.0088 | 0.9755 | 1.0157 |
Phenylethyl alcohol_2 | 1.0493 | 0.8893 | 1.0614 |
Phenylethyl alcohol_3 | 1.6398 | 0.4506 | 0.9096 |
Phenylpyruvate_1 | 1.5441 | 0.7980 | 0.6578 |
Phenylpyruvate_2 | 0.5060 | 0.3568 | 2.1372 |
Phenylpyruvate_3 | 1.0839 | 0.8554 | 1.0607 |
Phosphamidon | 0.9594 | 1.2732 | 0.7898 |
Phosphoagmatine | 0.6021 | 0.3749 | 2.0230 |
PHOSPHOCHOLINE | 1.2183 | 0.9062 | 0.8755 |
Phosphocreatine_1 | 1.6525 | 0.5372 | 0.8103 |
Phosphocreatine_2 | 2.8050 | 0.1658 | 0.1681 |
Phosphoenolpyruvate | 0.9382 | 0.8445 | 1.2173 |
Photinus luciferin | 0.0398 | 0.0200 | 3.1802 |
Phthalate_1 | 1.0086 | 0.9903 | 1.0011 |
Phthalate_2 | 0.6418 | 0.7321 | 1.6261 |
p-Hydroxyphenylacetothiohydroximate_1 | 1.2423 | 0.1695 | 1.5462 |
p-Hydroxyphenylacetothiohydroximate_2 | 2.7945 | 0.2494 | 0.0757 |
Phytuberin | 0.9943 | 1.0004 | 1.0053 |
Piceatannol | 1.2143 | 0.8814 | 0.8885 |
Pilocarpine | 1.2641 | 0.9060 | 0.8300 |
Pimelate_1 | 0.9114 | 0.9900 | 1.0986 |
Pimelate_2 | 0.2254 | 0.1553 | 2.6193 |
Pimelate_3 | 1.1118 | 0.6785 | 1.2097 |
Pimelate_4 | 0.1669 | 0.1244 | 2.7087 |
Pimelate_5 | 0.1747 | 0.0913 | 2.7340 |
Pimelate_6 | 0.0137 | 2.8494 | 0.0753 |
Pimozide | 1.0256 | 0.9219 | 1.0524 |
PIPECOLATE | 1.0769 | 0.8880 | 1.0351 |
Piperazine adipate | 1.6193 | 0.6999 | 0.6808 |
Piperidione_1 | 1.1017 | 1.0289 | 0.8694 |
Piperidione_2 | 0.3760 | 1.8941 | 0.7299 |
Pirbuterol | 1.0864 | 0.9012 | 1.0123 |
Podocarpic acid | 1.3564 | 0.7737 | 0.8699 |
Podophyllotoxone | 1.0272 | 0.9148 | 1.0580 |
Polysulfide | 0.9595 | 0.9334 | 1.1072 |
Porphobilinogen_1 | 1.3912 | 0.8551 | 0.7537 |
Porphobilinogen_2 | 1.2440 | 0.8144 | 0.9416 |
Potassium dibasic phosphate | 1.0364 | 0.9317 | 1.0320 |
Potassium sulfate | 1.1888 | 0.7553 | 1.0559 |
Precocene II_1 | 0.9968 | 1.0042 | 0.9989 |
Precocene II_2 | 1.5080 | 0.6811 | 0.8109 |
Pregnan-21-al | 0.7556 | 0.4513 | 1.7156 |
Pregnenolone | 1.1254 | 0.6432 | 1.2314 |
Prenyl caffeate | 1.0989 | 0.8342 | 1.0669 |
Procarbazine | 0.8929 | 0.5442 | 1.5629 |
Proclavaminic acid_1 | 1.0463 | 0.9300 | 1.0237 |
Proclavaminic acid_2 | 1.2939 | 0.7268 | 0.9793 |
Progesterone | 1.0532 | 0.7493 | 1.1974 |
Proglinazine | 1.0914 | 0.8638 | 1.0448 |
Promacyl | 1.6566 | 0.6234 | 0.5792 |
Propane-1,2-diol | 0.8206 | 1.7084 | 0.5972 |
Propanoate_1 | 1.0783 | 0.9129 | 1.0089 |
Propanoate_2 | 0.4940 | 0.2501 | 2.2559 |
Propiomazine | 2.4317 | 0.0754 | 0.0306 |
Propofol | 1.3578 | 0.9227 | 0.7196 |
Propyl cinnamate_1 | 1.2863 | 0.8255 | 0.8882 |
Propyl cinnamate_2 | 1.3647 | 0.7495 | 0.8857 |
Propynoate | 0.9934 | 0.5193 | 1.4872 |
Prosulfocarb | 1.4810 | 0.5562 | 0.9628 |
Prosulfuron | 2.3903 | 0.1969 | 0.4128 |
Prothiocarb | 0.2473 | 0.3173 | 2.4354 |
Protopine | 1.1071 | 0.8812 | 1.0118 |
Protoporphyrinogen IX | 1.3458 | 0.7444 | 0.9098 |
Pseudopelletierine | 0.2778 | 0.2902 | 2.3839 |
Psicofuranine_1 | 1.0975 | 0.8888 | 1.0137 |
Psicofuranine_2 | 1.2917 | 0.7297 | 0.9785 |
Pterin | 1.1035 | 0.7024 | 1.1942 |
Pulcherriminic acid | 1.2095 | 0.8387 | 0.9518 |
PUTRESCINE | 1.3946 | 0.7828 | 0.8226 |
p-Xylene_1 | 1.1648 | 0.9563 | 0.8789 |
p-Xylene_2 | 1.2194 | 0.8958 | 0.8848 |
p-Xylene_3 | 1.5046 | 1.2735 | 0.2219 |
Pymetrozine | 1.1919 | 0.7051 | 1.1030 |
Pyocyanine | 1.0093 | 1.0239 | 0.9667 |
Pyrazinamide | 1.2700 | 1.1440 | 0.5860 |
Pyrazinoic acid | 1.0674 | 0.8549 | 1.0777 |
Pyridine | 1.3874 | 0.8327 | 0.7799 |
Pyridoxal | 1.3200 | 0.7139 | 0.9661 |
PYRIDOXAL | 0.8981 | 1.1657 | 0.9361 |
Pyridoxamine | 1.0863 | 1.0448 | 0.8689 |
Pyridoxine_1 | 1.4782 | 0.7836 | 0.7382 |
Pyridoxine_2 | 0.9486 | 1.1486 | 0.9028 |
Pyridoxine_3 | 0.5858 | 2.1008 | 0.3134 |
Pyruvate_1 | 1.0712 | 0.7339 | 1.1949 |
Pyruvate_2 | 0.8048 | 0.5227 | 1.6725 |
Pyruvate oxime | 1.0597 | 1.2330 | 0.7074 |
Quercitrin | 0.6928 | 1.1293 | 1.1998 |
Quinolinate | 1.1484 | 0.8461 | 1.0055 |
(R)-2,3-Dihydroxypropane-1-sulfonate | 0.9932 | 0.5070 | 1.4998 |
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_1 | 1.0301 | 0.9660 | 1.0039 |
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_2 | 0.0492 | 0.1084 | 2.7829 |
Radium-226 | 0.9414 | 0.3037 | 1.7550 |
Reduced FMN | 1.1649 | 0.8834 | 0.9517 |
Resveratrol_1 | 1.4046 | 1.0837 | 0.5116 |
Resveratrol_2 | 1.4519 | 0.6982 | 0.8391 |
Retinoate | 0.9485 | 0.9694 | 1.0822 |
Retinol | 0.9812 | 0.9978 | 1.0207 |
Retronecine_1 | 1.0484 | 1.1989 | 0.7527 |
Retronecine_2 | 1.9974 | 0.4530 | 0.5496 |
Retronecine_3 | 1.0375 | 1.6446 | 0.3179 |
Rhein | 0.5943 | 1.7034 | 0.7024 |
Rhododendrin | 1.1631 | 0.9467 | 0.8902 |
(R)-(Homo)2-citrate | 1.2653 | 0.6382 | 1.0965 |
(R)-(Homo)3-citrate_1 | 1.1464 | 1.2112 | 0.6424 |
(R)-(Homo)3-citrate_2 | 1.0441 | 0.5755 | 1.3804 |
Riboflavin | 1.2519 | 0.5684 | 1.1796 |
Ricinine | 1.0963 | 0.8867 | 1.0170 |
Rilmenidine | 0.5059 | 0.2595 | 2.2345 |
Ripazepam | 1.2262 | 0.7427 | 1.0311 |
Rishitin | 1.0568 | 0.8663 | 1.0768 |
(R)-Mevalonate_1 | 0.6129 | 1.7264 | 0.6606 |
(R)-Mevalonate_2 | 0.5464 | 1.1135 | 1.3401 |
(R)-Mevalonate_3 | 1.2408 | 0.8545 | 0.9047 |
Robustaol A | 3.1560 | 0.0506 | 0.0308 |
Ruscopine | 1.0279 | 1.0873 | 0.8848 |
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate | 1.2662 | 0.8628 | 0.8711 |
S-(2-Chloroacetyl)glutathione | 1.3961 | 0.9587 | 0.6452 |
(S)-2-Chloropropanoate | 1.8110 | 0.6229 | 0.5352 |
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine | 1.3309 | 0.9212 | 0.7480 |
S-(2-Methylpropanoyl)-dihydrolipoamide | 1.2076 | 0.8236 | 0.9688 |
(S)-6-Hydroxynicotine_1 | 1.0571 | 0.9070 | 1.0358 |
(S)-6-Hydroxynicotine_2 | 2.0980 | 0.8268 | 0.0752 |
S-Acetyldihydrolipoamide | 1.0819 | 0.8546 | 1.0634 |
S-Acetylphosphopantetheine_1 | 1.2390 | 0.9127 | 0.8483 |
S-Acetylphosphopantetheine_2 | 1.3111 | 0.9348 | 0.7542 |
S-Adenosyl-L-homocysteine | 1.1911 | 0.8755 | 0.9334 |
Sakuranin | 1.5864 | 0.5951 | 0.7915 |
S-Allyl-L-cysteine_1 | 0.5467 | 1.5319 | 0.9214 |
S-Allyl-L-cysteine_2 | 0.9879 | 0.9557 | 1.0564 |
(S)-ATPA_1 | 1.0588 | 0.9775 | 0.9637 |
(S)-ATPA_2 | 1.2364 | 1.0126 | 0.7510 |
Savinin | 0.8667 | 0.9980 | 1.2692 |
(S)-beta-Methylindolepyruvate | 0.9996 | 0.6241 | 1.3763 |
Scopoletin_1 | 1.1103 | 0.7404 | 1.1493 |
Scopoletin_2 | 2.6577 | 0.2070 | 0.1353 |
Scorpioidin | 1.2126 | 0.5841 | 1.2034 |
Scytalone_1 | 1.1261 | 0.6132 | 1.2607 |
Scytalone_2 | 1.1089 | 0.7911 | 1.1000 |
Scytalone_3 | 0.9767 | 1.5044 | 0.5190 |
(S)-Dihydroorotate | 1.3129 | 0.8620 | 0.8251 |
Sebacic acid_1 | 1.1461 | 0.8348 | 1.0191 |
Sebacic acid_2 | 0.8819 | 0.9439 | 1.1742 |
Semicarbazide hydrochloride | 1.4860 | 0.2569 | 1.2572 |
Sepiapterin | 1.2534 | 0.5534 | 1.1932 |
Sergeolide | 1.8825 | 0.8047 | 0.6066 |
Serotonin | 1.1124 | 0.8555 | 1.0321 |
Shikimate_1 | 0.4971 | 0.3404 | 2.1625 |
Shikimate_2 | 0.4899 | 1.0541 | 1.4561 |
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine_1 | 2.7351 | 0.0229 | 0.2420 |
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine_2 | 1.2994 | 0.5226 | 1.1780 |
Sinapyl alcohol | 1.5553 | 0.5337 | 0.9110 |
Slaframine | 1.1268 | 0.8098 | 1.0634 |
S-Methyl-1-thio-D-glycerate | 1.5570 | 0.7120 | 0.7310 |
sn-Glycero-3-phosphocholine | 2.2141 | 0.1002 | 0.5990 |
Sodium ortho-phenylphenate | 0.9390 | 1.3663 | 0.6946 |
Sodium salicylate | 0.9226 | 1.2822 | 0.7953 |
Sodium sulfate | 1.1791 | 0.8936 | 0.9273 |
Sorgolactone | 1.3449 | 0.8783 | 0.7768 |
Spectinomycin dihydrochloride | 1.5526 | 1.0892 | 0.4378 |
Spermidine | 0.9488 | 1.3407 | 0.7386 |
SPERMIDINE | 1.1179 | 0.9137 | 0.9684 |
S-(Phenylacetothiohydroximoyl)-L-cysteine | 1.1514 | 0.8624 | 0.9862 |
S-Ribosyl-L-homocysteine_1 | 0.9339 | 1.0514 | 1.0146 |
S-Ribosyl-L-homocysteine_2 | 0.9848 | 1.0893 | 0.9258 |
S,S-Dimethyl-beta-propiothetin | 1.0252 | 0.8956 | 1.0792 |
S-Succinyldihydrolipoamide | 0.0274 | 4.9026 | 0.0152 |
Stearidonic acid | 1.2638 | 1.0258 | 0.7122 |
Sterigmatocystin | 0.1996 | 0.2590 | 2.2427 |
Streptobiosamine_1 | 1.3193 | 0.8217 | 0.8590 |
Streptobiosamine_2 | 0.0355 | 0.1026 | 1.5135 |
Strigolactone ABC-rings_1 | 1.2753 | 0.7056 | 1.0191 |
Strigolactone ABC-rings_2 | 1.0739 | 0.7912 | 1.1349 |
Stylopine | 0.9227 | 0.9614 | 1.1159 |
Styrene | 1.6911 | 0.3950 | 0.9139 |
Suberic acid_1 | 1.0264 | 0.9649 | 1.0087 |
Suberic acid_2 | 0.8180 | 0.6741 | 1.5079 |
Succinate_1 | 0.9442 | 1.1612 | 0.8946 |
Succinate_2 | 0.4775 | 0.2982 | 2.2243 |
Succinic anhydride_1 | 1.0652 | 0.8905 | 1.0443 |
Succinic anhydride_2 | 1.0437 | 0.9888 | 0.9675 |
Succinimide | 0.7053 | 0.6395 | 1.6552 |
Succinylproline_1 | 1.0956 | 0.9300 | 0.9744 |
Succinylproline_2 | 1.2900 | 0.4334 | 1.2010 |
Sulbactam | 1.8223 | 0.5743 | 0.6034 |
Sulbactam sodium | 1.9416 | 0.5693 | 0.4891 |
Sulcatone_1 | 1.1606 | 0.8738 | 0.9655 |
Sulcatone_2 | 1.0754 | 0.9551 | 0.9695 |
Sulcatone_3 | 0.8538 | 1.0409 | 1.1053 |
Sulfoquinovose_1 | 0.0703 | 0.0548 | 2.8749 |
Sulfoquinovose_2 | 0.0960 | 0.0954 | 2.7263 |
(-)-Sympatol | 1.1594 | 0.7737 | 1.0669 |
Syringin | 1.0826 | 0.9320 | 0.9854 |
Tabtoxin | 0.9053 | 1.4854 | 0.6093 |
Tabtoxinine-beta-lactam | 0.9414 | 0.9041 | 1.1545 |
Taurine | 0.9454 | 0.4224 | 1.6321 |
TAURINE | 0.9961 | 1.1174 | 0.8865 |
Tauropine_1 | 1.1929 | 0.8387 | 0.9684 |
Tauropine_2 | 0.8078 | 1.0891 | 1.1090 |
Tebuconazole_1 | 1.3555 | 0.7956 | 0.8490 |
Tebuconazole_2 | 1.4629 | 0.7529 | 0.7842 |
Tebuconazole_3 | 0.1419 | 2.6127 | 0.4758 |
Temazepam | 1.0197 | 0.9951 | 0.9852 |
Terbutaline_1 | 0.6486 | 1.5488 | 0.8026 |
Terbutaline_2 | 1.1142 | 1.2281 | 0.6577 |
Testolate | 1.1779 | 0.9222 | 0.8999 |
Testololactone | 1.0905 | 1.3672 | 0.5423 |
Testosterone glucuronide | 1.0494 | 0.8926 | 1.0579 |
Tetrahomomethionine | 1.1040 | 0.9517 | 0.9443 |
Tetrahydrocortisone | 0.9735 | 0.8437 | 1.1829 |
Tetralin_1 | 1.1416 | 0.9961 | 0.8623 |
Tetralin_2 | 1.6562 | 0.4136 | 0.9301 |
Tetralin_3 | 1.1263 | 1.0161 | 0.8576 |
Tetralin_4 | 1.0993 | 1.0584 | 0.8423 |
Tetraneurin A | 1.6590 | 0.4964 | 0.7638 |
Thalidomide | 2.4059 | 0.3516 | 0.2065 |
Theophylline_1 | 1.0231 | 1.1058 | 0.8711 |
Theophylline_2 | 1.1519 | 1.1225 | 0.7256 |
Thiamphenicol | 2.0261 | 0.1581 | 0.6165 |
Thidiazuron_1 | 1.6261 | 0.7423 | 0.5948 |
Thidiazuron_2 | 1.3003 | 0.8050 | 0.8887 |
Thiobenzamide S,S-dioxide | 0.5967 | 0.5176 | 1.8857 |
Thiomorpholine 3-carboxylate | 1.1786 | 0.9161 | 0.9053 |
Thiorphan | 0.6311 | 0.9681 | 1.4007 |
THTA | 1.1220 | 0.8637 | 1.0143 |
Thymidine | 1.0599 | 0.9685 | 0.9716 |
THYMINE_1 | 1.1107 | 0.9462 | 0.9432 |
THYMINE_2 | 0.7419 | 1.0968 | 1.1613 |
Thymyl acetate_1 | 1.2264 | 0.7732 | 1.0003 |
Thymyl acetate_2 | 1.0044 | 0.9907 | 1.0049 |
Thymyl acetate_3 | 1.0829 | 0.9115 | 1.0055 |
Tioconazole | 0.2225 | 0.0529 | 2.6468 |
Tocainide | 2.6314 | 0.1428 | 0.2258 |
Toluene_1 | 1.3564 | 0.7711 | 0.8725 |
Toluene_2 | 1.0599 | 0.8892 | 1.0508 |
Toluene-cis-dihydrodiol_1 | 1.0783 | 0.8725 | 1.0492 |
Toluene-cis-dihydrodiol_2 | 0.2182 | 0.2617 | 2.5201 |
Toluene-cis-dihydrodiol_3 | 0.9422 | 0.7700 | 1.2879 |
Tolylacetate_1 | 1.2330 | 0.9007 | 0.8663 |
Tolylacetate_2 | 0.4120 | 0.3670 | 2.2211 |
Tolylacetate_3 | 1.0483 | 0.9415 | 1.0101 |
Topiramate | 1.1374 | 0.9185 | 0.9441 |
Tos-Arg-CH2Cl | 1.0711 | 0.9741 | 0.9549 |
Tos-Lys-CH2Cl | 1.0001 | 0.9914 | 1.0085 |
trans-1,2-Dichloroethene | 1.0003 | 0.9968 | 1.0029 |
trans-4-Hydroxycyclohexanecarboxylate | 1.1672 | 0.8965 | 0.9363 |
TRANS-4-HYDROXYPROLINE | 0.9377 | 1.0227 | 1.0396 |
TRANS-CINNAMATE | 1.1632 | 1.0346 | 0.8022 |
trans,trans-Farnesyl phosphate | 0.0947 | 2.1861 | 0.9664 |
Tranylcypromine | 1.5327 | 1.0149 | 0.4524 |
Traumatic acid_1 | 1.1917 | 0.7483 | 1.0600 |
Traumatic acid_2 | 1.1380 | 0.9934 | 0.8686 |
Tributyl phosphate | 0.9797 | 0.9922 | 1.0281 |
Tributyrin | 1.8117 | 0.6302 | 0.4288 |
Triethanolamine | 1.9054 | 0.4838 | 0.5829 |
Triglochinin | 0.1422 | 0.0113 | 3.6607 |
Trihomomethionine_1 | 0.9378 | 0.8439 | 1.2184 |
Trihomomethionine_2 | 1.1260 | 0.7629 | 1.1111 |
Trimethylamine N-oxide | 1.1575 | 0.8055 | 1.0370 |
Triphenylsilanol | 1.1828 | 0.5330 | 1.2842 |
Tris(butoxyethyl)phosphate | 1.0115 | 0.9846 | 1.0039 |
Triticonazole | 1.1215 | 0.9966 | 0.8819 |
Tropine_1 | 1.1315 | 1.4779 | 0.3906 |
Tropine_2 | 1.0919 | 0.7980 | 1.1100 |
Tropine_3 | 1.2725 | 0.3475 | 1.3800 |
Tropinone | 0.9722 | 0.8088 | 1.2190 |
Trp-P-1 | 0.9981 | 1.0132 | 0.9887 |
Tryptamine | 1.1133 | 0.7183 | 1.1684 |
Tuberonic acid glucoside | 1.1135 | 0.8007 | 1.0857 |
Tussilagine_1 | 1.1205 | 0.8852 | 0.9943 |
Tussilagine_2 | 0.0188 | 2.9298 | 0.0514 |
Tussilagine_3 | 0.0677 | 2.8448 | 0.0875 |
Tyramine_1 | 1.1002 | 0.8750 | 1.0248 |
Tyramine_2 | 1.1783 | 0.8604 | 0.9613 |
Tyr-OEt | 0.9544 | 1.0220 | 1.0236 |
Umbelliferone | 1.1940 | 0.9488 | 0.8572 |
URACIL | 1.0144 | 0.9561 | 1.0295 |
Uracil mustard | 0.0955 | 0.1414 | 1.8815 |
URATE | 1.0169 | 0.9211 | 1.0620 |
Urate_1 | 1.1137 | 0.9285 | 0.9578 |
Urate_2 | 0.4764 | 0.7412 | 1.7824 |
Urate-3-ribonucleoside | 1.0912 | 0.9101 | 0.9988 |
Ureidoacrylate | 0.8074 | 1.1961 | 0.9966 |
Uridine | 1.1096 | 0.8847 | 1.0057 |
Urocanate | 1.3576 | 0.8873 | 0.7550 |
UROCANATE | 1.0367 | 0.9683 | 0.9950 |
Valclavam | 1.1213 | 0.9629 | 0.9158 |
Valine | 0.9448 | 0.9743 | 1.0809 |
Vanillyl alcohol_1 | 1.1043 | 0.8078 | 1.0879 |
Vanillyl alcohol_2 | 1.2565 | 0.7178 | 1.0256 |
Velloquercetin | 0.3089 | 0.5179 | 2.1411 |
Vermelone_1 | 0.9476 | 1.0376 | 1.0148 |
Vermelone_2 | 1.4286 | 0.6784 | 0.8930 |
Verrucarin A | 0.6589 | 1.0707 | 1.2704 |
Versicolorin B_1 | 1.1622 | 0.3017 | 1.5360 |
Versicolorin B_2 | 0.1268 | 0.1421 | 2.6453 |
(-)-Vestitone_1 | 0.3015 | 1.3024 | 1.2743 |
(-)-Vestitone_2 | 3.0420 | 0.0090 | 0.0198 |
Virol B | 1.6190 | 0.7617 | 0.6193 |
Vitexin | 1.1320 | 0.5477 | 1.3255 |
Warfarin | 0.9622 | 1.0422 | 0.9956 |
Wedelolactone | 0.7540 | 1.3631 | 0.8828 |
WIN VI | 3.2663 | 0.0575 | 0.0501 |
Wyerone | 0.8864 | 0.8271 | 1.2634 |
Xanthan_1 | 1.0064 | 0.9948 | 0.9988 |
Xanthan_2 | 2.4926 | 0.0207 | 0.4867 |
Xanthine_1 | 1.0505 | 0.8787 | 1.0708 |
Xanthine_2 | 1.1921 | 1.0034 | 0.8045 |
Xanthosine | 1.0991 | 0.9199 | 0.9810 |
Xanthosine 5^-phosphate | 2.4356 | 0.0159 | 0.0483 |
Xanthurenic acid | 1.1272 | 0.8362 | 1.0366 |
Xylitol | 0.7685 | 1.0082 | 1.2233 |
XYLITOL | 0.9458 | 1.0535 | 1.0008 |
Xylobiose | 1.1061 | 0.8629 | 1.0311 |
Yersiniabactin_1 | 1.2893 | 1.0954 | 0.6153 |
Yersiniabactin_2 | 0.8105 | 0.8531 | 1.3364 |
Zalcitabine_1 | 1.1121 | 0.9324 | 0.9555 |
Zalcitabine_2 | 1.4161 | 0.8641 | 0.7198 |
(Z)-But-1-ene-1,2,4-tricarboxylate | 0.9958 | 1.2837 | 0.7206 |
Zingerone_1 | 0.9969 | 1.0079 | 0.9952 |
Zingerone_2 | 1.3330 | 0.9796 | 0.6874 |
Zingerone_3 | 0.1444 | 0.1330 | 2.7226 |
Zinnimidine_1 | 1.0090 | 0.9876 | 1.0034 |
Zinnimidine_2 | 1.0031 | 0.9955 | 1.0015 |
Zinnimidine_3 | 0.0209 | 3.9264 | 0.0279 |
Zoxamide | 2.3276 | 0.4035 | 0.1741 |
Factors:
F1 | Treatment :Baseline urine |
F2 | Treatment :Urine after drinking apple juice |
F3 | Treatment :Urine after drinking cranberry juice |