Data for (Study ST002998)
(Analysis AN004925)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 |
|---|---|---|---|---|
| 11-Dehydro-thromboxane B2 | 2.0901 | 1.0769 | 0.4250 | 0.4081 |
| 1,2-Bis(1-ethoxyethoxy)propane | 1.4324 | 1.7278 | 0.3778 | 0.2546 |
| 1,3,5-Trihydroxybenzene | 0.0286 | 1.6476 | NA | NA |
| 1,4^-Bipiperidine-1^-carboxylic acid | 0.7245 | 1.2755 | NA | NA |
| 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose | 0.7874 | 1.2203 | 0.6520 | 1.3403 |
| 17-Hydroxyprogesterone | 1.3991 | 2.0544 | 0.2413 | 0.3052 |
| 18-carboxy dinor Leukotriene B4 | 0.7937 | 0.7429 | 1.3616 | 1.1018 |
| 1-(9Z-hexadecenoyl)-glycero-3-phosphate | 1.7119 | 1.5874 | 0.0103 | 0.0306 |
| 1-Aminocyclopropanecarboxylic acid | 1.2513 | 0.9874 | 0.8848 | 0.8766 |
| 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide | 2.8994 | 0.0168 | 0.0880 | 0.0043 |
| 1b-Furanoeudesm-4(15)-en-1-ol acetate | 1.6875 | 1.6008 | 0.2030 | 0.5088 |
| 1-Hexanethiol | 1.3522 | 1.1127 | 0.8267 | 0.7084 |
| 1H-Indole-3-carboxaldehyde | 1.5407 | 2.1060 | 0.1083 | 0.2450 |
| 1-Isothiocyanato-3-phenylpropane | 0.9219 | 0.7341 | 1.2413 | 1.1027 |
| 1-Isothiocyanato-8-(methylthio)octane | 0.0782 | 0.0868 | 1.8428 | 1.9921 |
| 1-Methylguanine | 1.7804 | 0.4827 | 1.1854 | 0.5515 |
| 1-(m-Methoxycinnamoyl)pyrrolidine | 1.6323 | 1.3497 | 0.1949 | 0.8231 |
| 1-nitrosonaphthalene | 0.7163 | 2.5951 | 0.3116 | 0.3769 |
| 1-Octen-3-yl primeveroside | 1.1643 | 0.8357 | NA | NA |
| 1-Pentanesulfenothioic acid | 0.7826 | 1.6552 | 0.5676 | 0.9946 |
| 1-Pyrroline | 1.6319 | 1.5173 | 0.4211 | 0.4296 |
| 2-(1,2-Diamino-1-propenyl)phenol | 0.9440 | 1.5210 | 0.7300 | 0.8050 |
| 2,3,4,5-Tetrahydropiperidine-2-carboxylate | 1.0230 | 1.1604 | 0.8440 | 0.9726 |
| 2,3-Diethyl-5-methylpyrazine | 1.1436 | 0.9101 | 0.5352 | 1.2562 |
| 2,3-Diethylpyrazine | 1.1653 | 1.1186 | 0.5775 | 1.1385 |
| (+)-2,3-Dihydro-3-methyl-1H-pyrrole | 1.5998 | 1.4289 | 0.4573 | 0.5140 |
| 2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine | 1.3572 | 1.2889 | 0.1344 | 0.4637 |
| 2,3-Diphenylpyrazine | 1.2961 | 0.9598 | 0.9441 | 0.7999 |
| 2,4,6-Octatriynoic acid | 1.1280 | 0.8720 | NA | NA |
| 2,4-Diamino-6-nitrotoluene | 1.2982 | 0.7028 | 1.0122 | 0.9868 |
| 2-(4-Methyl-1,3-pentadienyl)anthraquinone | 0.0905 | 0.0771 | 1.9577 | 1.8747 |
| 2,5-Dihydro-2,4,5-trimethyloxazole | 1.2840 | 0.8823 | 1.0053 | 0.8285 |
| 2,5-Dimethyloxazole | 1.3518 | 0.9421 | NA | 0.1184 |
| 2,5-Dimethylpyrazine | 1.7747 | 1.9960 | 0.0663 | 0.1629 |
| 2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine | 1.1303 | 0.9499 | 0.9822 | 0.9376 |
| 2,6-diaminohexanoic acid | 1.6149 | 1.4445 | 0.4339 | 0.5066 |
| 2,6-Dimethylpyrazine | 0.0675 | 0.9891 | 0.9152 | 2.0283 |
| 2-Azetidinecarboxylic acid | 1.3236 | 1.1333 | 0.7705 | 0.7726 |
| 2-Ethyl-6-methylpyrazine | 1.0944 | 1.8633 | 0.1050 | 0.9373 |
| 2-(Ethylamino)-4,5-dihydroxybenzamide | 1.3793 | 1.2054 | 0.7914 | 0.6239 |
| 2-Hydroxycinnamic acid | 1.0181 | 0.8852 | 0.6167 | 1.4800 |
| 2-Isopropyl-3,5-dimethoxy-6-methylpyrazine | 1.9832 | 1.8847 | 0.0695 | 0.0626 |
| 2-Isopropyl-6-methoxypyrazine | 0.3435 | 0.6279 | 1.8605 | 1.1681 |
| 2-Methoxy-3-(1-methylpropyl)pyrazine | 1.5398 | 1.4514 | 0.5344 | 0.4743 |
| 2-Methoxy-3-methyl-9H-carbazole | 1.9447 | 1.5878 | 0.2326 | 0.2349 |
| 2-Methoxyestradiol | 1.5668 | 1.7348 | 0.3843 | 0.3142 |
| 2-Methyl-1-methylthio-2-butene | 1.5005 | 0.8208 | 0.9855 | 0.6933 |
| 2-Methyl-1-propylamine | 1.5117 | 0.8815 | 0.8469 | 0.7599 |
| 2-Methylbutylamine | 0.9474 | 0.6917 | 1.2246 | 1.1364 |
| 2-Methylbutyroylcarnitine | 1.5837 | 1.4607 | 0.4315 | 0.5241 |
| 2-Methylfuran | 0.6965 | 0.3345 | 1.4380 | 1.5311 |
| 2-O-Methylcytosine | 0.8663 | 0.6676 | 1.1697 | 1.2964 |
| 2-Oxoarginine | 0.4217 | 1.8446 | NA | 0.2011 |
| 2-Phenylacetamide | 0.9951 | 0.8899 | 0.6355 | 1.4796 |
| 2-Phenylethanol | 2.0390 | 1.7641 | 0.1460 | 0.0509 |
| 2-Piperidone | 1.3551 | 1.3720 | 0.6966 | 0.5763 |
| 2-Propene-1-thiol | 0.4714 | 0.4974 | 1.4531 | 1.5781 |
| 2-Pyrrolidineacetic acid | 0.5190 | 0.7809 | 0.9875 | 1.7126 |
| 2-Pyrrolidinone | 0.6556 | 0.7148 | 1.3675 | 1.2621 |
| (2R,3R)-3,4^,7-Trihydroxyflavanone | 0.9929 | 0.5689 | 1.2240 | 1.2119 |
| (2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid | 0.6494 | 0.4237 | 1.4584 | 1.4685 |
| (2S,2^S)-Pyrosaccharopine | 0.9857 | 0.6590 | 1.5060 | 0.8493 |
| (2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol | 0.6293 | 0.4025 | 1.3955 | 1.5727 |
| 3,4-Dihydro-2H-1-benzopyran-2-one | 1.2846 | 1.1520 | 0.7444 | 0.8190 |
| 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide | 1.2271 | 0.7726 | 0.0407 | 1.9596 |
| 3,5-Dimethyl-2-propylpyrazine | 0.3811 | 1.2919 | 1.4422 | 0.8848 |
| 3-Acetamidobutanal | 1.6348 | 1.4161 | 0.4406 | 0.5085 |
| 3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione | 1.5019 | 1.3465 | 0.5993 | 0.5523 |
| 3-Amino-2-piperidone | 1.6163 | 1.5351 | 0.4202 | 0.4284 |
| 3-Aminobutanoic acid | 0.3517 | 0.2049 | 1.8029 | 1.6405 |
| 3-Aminopropionaldehyde | 0.5393 | 0.2795 | 1.8227 | 1.3585 |
| 3^-AMP | 1.1904 | 1.0046 | 0.7263 | 1.0787 |
| 3-Butylidene-1(3H)-isobenzofuranone | 1.3019 | 1.0282 | 0.0096 | NA |
| 3-Caffeoyl-4-feruloylquinic acid | 0.7719 | 1.2281 | NA | NA |
| 3-Dehydroxycarnitine | 1.1456 | 1.0620 | 0.8665 | 0.9258 |
| 3-Ethyl-2-methoxypyrazine | 0.3398 | 0.3169 | 1.7436 | 1.5997 |
| 3-Fucosyllactose | 0.2016 | 0.1333 | 1.4116 | 2.2535 |
| 3-Hydroxyadipic acid 3,6-lactone | 0.0408 | 1.9592 | NA | NA |
| 3-Hydroxykynurenamine | 1.4097 | 1.3680 | 0.7162 | 0.5061 |
| 3-Indoleacrylic acid | 1.4777 | 1.3704 | 0.5668 | 0.5851 |
| 3-Indolebutyric acid | 0.5443 | 0.6609 | 1.4288 | 1.3661 |
| 3-Isopropyl-2-methoxy-5-methylpyrazine | 1.3916 | 1.4854 | 0.7281 | 0.3949 |
| 3-Isoxazolidinone | 1.3072 | 0.8706 | 0.9838 | 0.8384 |
| 3-Methoxyanthranilate | 1.9246 | 1.8113 | 0.0855 | 0.1786 |
| 3-Methyladenine | 2.2558 | 1.1493 | 0.0727 | 0.2131 |
| 3^-O-Methyl-D-adenosine | 2.3263 | 1.1556 | 0.1308 | 0.3873 |
| 3-Pyridinebutanoic acid | 0.8618 | 0.8660 | 1.1494 | 1.1227 |
| (3xi,6xi)-Cyclo(alanylvalyl) | 0.8013 | 0.8420 | 1.3827 | 0.9740 |
| 4-Amino-2-methylenebutanoic acid | 1.5353 | 1.6169 | 0.3131 | 0.5348 |
| 4-Aminobutyraldehyde | 0.9503 | 0.5612 | 1.5771 | 0.9113 |
| 4-Aminohippuric acid | 2.0387 | 1.5027 | 0.1677 | 0.2908 |
| 4-Aminophenol | 1.0123 | 0.9614 | 1.0261 | 1.0002 |
| (4-Ethoxyphenyl)urea | 0.6643 | 0.7954 | 1.1645 | 1.3758 |
| 4-Guanidinobutanoic acid | 0.3196 | 0.3103 | 1.7947 | 1.5755 |
| 4-Hydroxy-2-butenoic acid gamma-lactone | 0.2782 | 0.0922 | 0.4770 | 2.6094 |
| 4-Hydroxybenzylamine | 1.8103 | 1.2282 | 0.4721 | 0.4894 |
| 4^-Hydroxyflurbiprofen | 1.8373 | 1.1971 | 0.4916 | 0.4740 |
| 4-Hydroxynornantenine | 0.2298 | 0.4857 | 1.2099 | 2.0746 |
| 4-Methylcatechol | 1.0951 | 1.0581 | 0.9909 | 0.8560 |
| 4-O-Methylmelleolide | 1.5226 | 1.7010 | 0.3029 | 0.4735 |
| 4-Oxo-1-(3-pyridyl)-1-butanone | 1.9220 | 0.7487 | 0.3406 | 0.3068 |
| 5-Acetyl-2,4-dimethyloxazole | 1.6073 | 1.4223 | 0.4455 | 0.5249 |
| 5-Aminopentanamide | 0.9371 | 0.7874 | 1.4988 | 0.7768 |
| 5^-Deoxy-5^-(methylsulfinyl)adenosine | 0.5753 | 0.5516 | 1.5329 | 1.3401 |
| 5^-Deoxyadenosine | 0.0941 | 0.2338 | 2.0014 | 1.6707 |
| 5-Hydroxydopamine | 1.7095 | 1.9077 | 0.2466 | 0.1362 |
| 5-Hydroxylysine | 0.0962 | 0.0308 | 1.9905 | 1.8825 |
| 5-Methoxyindoleacetate | 0.3369 | 0.4399 | 2.0311 | 1.5763 |
| 5-Methyl-2-furancarboxaldehyde | 0.6843 | 0.3421 | 1.4704 | 1.5031 |
| 5-Methylcytidine | 1.7628 | 1.6037 | 0.2202 | 0.4133 |
| 5-Methylcytosine | 1.4449 | 1.1322 | 0.7083 | 0.7146 |
| 5^-Methylthioadenosine | 0.0077 | 2.8588 | NA | 0.1336 |
| 5-Nitro-2-propoxyaniline | 1.4242 | 1.3507 | 0.6136 | 0.6115 |
| 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one | 0.6627 | 1.5679 | 0.8544 | 0.9151 |
| 6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one | NA | 0.3812 | 1.9408 | 0.0340 |
| 6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid | 0.1021 | 0.1311 | 1.4028 | 1.4758 |
| 6-(alpha-D-Glucosaminyl)-1D-myo-inositol | 0.4247 | 0.2869 | 1.7955 | 1.4929 |
| 6-Hydroxy-1H-indole-3-acetamide | 1.0231 | 2.6470 | 0.0714 | 0.2585 |
| 6-Methylquinoline | 0.8320 | 0.8078 | 1.1910 | 1.1691 |
| (8E)-Piperamide-C9:1 | 1.4584 | 1.1991 | 0.5998 | 0.7428 |
| 8-Hydroxy-2^-deoxyguanosine | 0.0949 | 0.9962 | 1.0828 | 1.8261 |
| 8-Hydroxyadenine | 0.6656 | 0.3677 | 2.6474 | 0.3193 |
| 9-Hydroxyphenanthrene | 1.5836 | 1.6031 | 0.3908 | 0.4224 |
| (±)-2-(2-Furanyl)pyrrolidine | 2.2191 | 1.7403 | 0.0225 | 0.0181 |
| (±)-2,2^-Iminobispropanoic acid | 0.9126 | 2.9468 | 0.0884 | 0.0521 |
| (±)-2-Methylthiazolidine | 1.7888 | 1.3126 | 0.4437 | 0.4549 |
| Acetamidopropanal | 1.2500 | 1.1370 | 0.9000 | 0.7129 |
| Acetaminophen | 2.0322 | 1.8879 | 0.0389 | 0.0411 |
| Acetoacetic acid | NA | 1.3222 | NA | 0.0333 |
| Acetylcholine | 1.5213 | 1.3753 | 0.6173 | 0.4861 |
| Acrylamide | 0.0401 | 0.0530 | 2.2245 | 1.3624 |
| Adenine | 0.1746 | 2.4602 | 0.7282 | 0.6370 |
| Adenosine | 0.0102 | 1.3876 | 1.0013 | 1.6009 |
| Alanyl-Aspartic acid | 0.9764 | 1.0461 | 0.5168 | 1.4606 |
| Alanyl-Leucine | 1.5865 | 2.0037 | 0.0193 | 0.3905 |
| Albanin D | 0.4747 | 0.4839 | 1.4914 | 1.5500 |
| Aldosine | 0.2032 | 0.1427 | 1.8810 | 1.7730 |
| Allysine | 0.7979 | 0.0505 | 1.6905 | 1.4611 |
| alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol | 1.1640 | 0.0904 | 2.1916 | 0.5540 |
| (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein) | 0.8659 | 1.1137 | 1.1718 | 0.8486 |
| Aminoacetone | 1.1051 | 1.0244 | 0.9887 | 0.8818 |
| Aminoadipic acid | 0.0853 | 0.1219 | 2.0718 | 1.7210 |
| Anonaine | 1.2666 | 1.1353 | 0.7982 | 0.7999 |
| Argininic acid | 3.4118 | 0.2752 | 0.2724 | 0.0406 |
| Arginyl-Methionine | 1.1400 | 1.0279 | 1.0115 | 0.8206 |
| Arginyl-Valine | 1.3475 | 1.5143 | 0.4192 | 0.7191 |
| Asparaginyl-Gamma-glutamate | 1.8957 | 2.0169 | 0.0304 | 0.0571 |
| Asparaginyl-Proline | 1.5297 | 1.4902 | 0.4149 | 0.5653 |
| Aspartyl-Arginine | 0.3774 | 1.3667 | 1.3426 | 0.9134 |
| Aspartyl-Glutamate | 1.0217 | 2.2677 | 0.2386 | 0.4720 |
| Asymmetric dimethylarginine | 1.3827 | 1.3903 | 0.6552 | 0.5718 |
| Benzaldehyde | 1.4802 | 1.0592 | 0.6746 | 0.7860 |
| benzene-1,2,4-triol | NA | NA | 0.5374 | 1.4626 |
| Benzidine | 0.0804 | 0.2188 | 1.4705 | 2.2304 |
| Bergenin | 0.0628 | 3.3344 | 0.1573 | 0.1331 |
| beta-Alanyl-L-lysine | 1.0814 | 1.7908 | 0.4503 | 0.6775 |
| beta-D-Glucosamine | 0.5494 | 0.5366 | 1.5454 | 1.3687 |
| Betaine | 1.3303 | 1.1200 | 0.8211 | 0.7286 |
| Betulin | 0.7916 | 0.7908 | 0.8177 | 1.5998 |
| Biliverdin | 2.3684 | 1.5569 | 0.0283 | 0.0463 |
| Biotin sulfone | 1.2306 | 1.0185 | 0.6074 | 1.1435 |
| Blepharin | 0.0657 | 0.1514 | 1.4825 | 2.3003 |
| Butyl -3-hydroxybutyrate glucoside | 0.1923 | 0.1860 | 2.3642 | 1.2576 |
| Butyrylcarnitine | 0.6779 | 1.0036 | 1.0257 | 1.2928 |
| Caffeine | 0.2715 | 0.2432 | 1.8485 | 1.6369 |
| Carbanilide | 0.6772 | 1.2867 | 1.1106 | 0.9255 |
| Carnosine | 1.2862 | 1.4208 | 0.6294 | 0.6635 |
| Caryophyllene alpha-oxide | 1.2434 | 1.3206 | 0.6766 | 0.7594 |
| Catechin | 0.7570 | 1.2430 | NA | NA |
| CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z)) | 2.0131 | 1.9692 | 0.0070 | 0.0106 |
| Choline | 1.1854 | 1.1362 | 0.8635 | 0.8149 |
| cis-2,3-Dimethylthiirane | 2.6145 | 1.2924 | 0.0645 | 0.0286 |
| Citrulline | 1.7715 | 1.2697 | 0.5053 | 0.4536 |
| Conhydrinone | 1.1318 | 0.5966 | 1.2942 | 0.9774 |
| Cortexolone | 0.8956 | 1.7559 | 0.5783 | 0.7702 |
| Creatinine | 1.3144 | 1.2291 | 0.7203 | 0.7361 |
| Cysteinyl-Cysteine | 0.7993 | 0.6602 | 1.3368 | 1.2037 |
| Cysteinyl-Hydroxyproline | 1.0382 | 0.9981 | 0.9666 | 0.9970 |
| Cytarabine | 0.0433 | 0.6181 | 1.5627 | 1.7759 |
| Cytidine 2^-phosphate | 1.0225 | 0.8542 | 1.0223 | 1.1010 |
| Cytosine | 0.7231 | 0.6148 | 1.3237 | 1.3385 |
| D-1-Piperideine-2-carboxylic acid | 1.0378 | 0.8704 | 0.9479 | 1.1439 |
| Dambonitol | 1.6208 | 1.4444 | 0.4698 | 0.4650 |
| D-Arginine | 1.2326 | 1.1464 | 0.8246 | 0.7964 |
| D-Aspartic acid | 1.3257 | 0.8702 | 0.9634 | 0.8407 |
| Decarbamoylsaxitoxin | 0.2170 | 0.1350 | 1.8893 | 1.7586 |
| Dehydroisochalciporone | 1.9539 | 1.8606 | 0.0709 | 0.1146 |
| Demethylated antipyrine | 1.3228 | 1.9664 | 0.3655 | 0.3453 |
| Denudatine | 0.5238 | 2.3184 | 0.2683 | 0.8895 |
| Deoxyguanosine | 0.0453 | 3.0350 | 0.3699 | 0.5499 |
| desmethylclomipramine | 0.4994 | 0.9292 | 1.3227 | 1.2486 |
| Deterrol | 1.6824 | 1.7630 | 0.2177 | 0.3370 |
| Dethiobiotin | 1.4091 | 1.2682 | 0.6188 | 0.7039 |
| D-Galactose | 1.1946 | 2.6106 | 0.1268 | 0.0680 |
| Diethanolamine | 1.0223 | 0.9727 | 0.9869 | 1.0181 |
| Dihydroferuperine | 1.2165 | 1.5556 | 0.3777 | 0.8502 |
| Dihydrouracil | 1.5803 | 1.5844 | 0.1418 | 0.1113 |
| Dimethylglycine | 0.7043 | 0.7352 | 1.2989 | 1.2617 |
| Distichonic acid A | 1.5310 | 1.5149 | 0.2909 | 0.6632 |
| DL-Phenylalanine | 1.3111 | 1.1745 | 0.7199 | 0.7946 |
| Dopamine | 1.5977 | 1.9852 | 0.2087 | 0.2083 |
| D-Serine | 0.5590 | 1.3860 | 1.1105 | 0.9445 |
| (E)-1-Cinnamoylpyrrolidine | 1.2639 | 1.0388 | 0.6926 | 1.0047 |
| (E)-2^,4,4^,6^-Tetrahydroxy-3^,5^-diprenylchalcone | 0.1808 | 0.2237 | 1.8422 | 1.7533 |
| (E,E)-Trichostachine | 0.2087 | 0.1675 | 1.8414 | 1.7824 |
| Eicosadienoic acid | 0.0007 | NA | 0.6508 | 1.6823 |
| Endomorphin-1 | 0.0946 | 0.0723 | 2.1168 | 1.7163 |
| Endomorphin-2 | 1.6221 | 1.5068 | 0.3970 | 0.4740 |
| Eremopetasin sulfoxide | 1.8298 | 1.1552 | 0.4052 | 0.4115 |
| Erinacine D | NA | 0.0133 | 1.8426 | 0.8152 |
| Erythroskyrin | 0.3137 | 0.2970 | 2.0118 | 1.3775 |
| Ethenyl acetate | 0.5379 | 0.4977 | 1.5480 | 1.4163 |
| Ethiin | 0.9521 | 1.0072 | 0.9368 | 1.1038 |
| Ethoxyquin | 0.7299 | 1.5718 | 0.7138 | 0.9845 |
| Ethyl 2-aminobenzoate | 0.6246 | 1.0970 | 1.7502 | 0.5282 |
| Ethylphosphate | 2.4617 | 1.1341 | 0.2198 | 0.1844 |
| Ethyl propyl disulfide | 0.0320 | 0.8734 | 1.5662 | 0.8830 |
| exo-Dehydrochalepin | 2.0874 | 1.3858 | 0.2063 | 0.3205 |
| FAPy-adenine | 0.9799 | 0.7896 | 1.2140 | 1.0165 |
| (-)-Fumigaclavine B | 1.5823 | 1.5055 | 0.4861 | 0.4262 |
| Fumitremorgin C | 0.5404 | 0.8444 | 1.1399 | 1.4752 |
| gamma-Glutamylisoleucine | 1.3904 | 1.4946 | 0.8401 | 0.2749 |
| gamma-Glutamylleucine | 1.8510 | 1.8821 | 0.0284 | 0.2385 |
| Gentiatibetine | 1.4496 | 1.6485 | 0.4496 | 0.4524 |
| Glaucarubin | 0.0759 | 0.1236 | 1.6263 | 1.8662 |
| Glutaminylalanine | 1.3146 | 1.5064 | 0.7002 | 0.4788 |
| Glutaminyl-Gamma-glutamate | 1.9863 | 1.6576 | 0.1548 | 0.2014 |
| Glutaminyllysine | 0.7692 | 1.9844 | 0.5562 | 0.6901 |
| Glutaminylproline | 1.5017 | 0.8858 | 0.8348 | 0.7777 |
| Glutamyllysine | 1.6817 | 1.6467 | 0.2544 | 0.4173 |
| Glycerol 3-phosphate | 2.2635 | 1.5598 | 0.1202 | 0.0565 |
| Glycerophosphocholine | 1.0350 | 1.0109 | 0.9860 | 0.9681 |
| Glycine | 1.2281 | 0.8439 | 1.1941 | 0.7339 |
| Glycyl-glycine | 1.4557 | 1.3026 | 0.2972 | 0.9445 |
| Glycyl-Histidine | 0.3192 | 0.1068 | 2.2744 | 1.2997 |
| Glycylleucine | 1.6731 | 1.7869 | 0.1402 | 0.3997 |
| Glycyl-L-Leucine | 1.3213 | 1.2911 | 0.0517 | 1.3359 |
| Glycylproline | 1.5821 | 1.5601 | 0.3977 | 0.4601 |
| Glycyl-Valine | 0.8572 | 0.7638 | 1.3577 | 1.0213 |
| Gravelliferone | 1.1056 | 0.8944 | NA | NA |
| Graveoline | 0.8945 | 0.7322 | 1.2988 | 1.0745 |
| Guanosine | 1.2803 | 1.2009 | 0.8276 | 0.6912 |
| Guanosine monophosphate | 0.8636 | 0.7109 | 0.9560 | 1.4695 |
| Gyromitrin | 0.1279 | 0.8927 | 0.5765 | 2.1122 |
| Haematopodin | 1.7419 | 1.4571 | 0.0440 | 0.1197 |
| Harman | 1.3745 | 2.2031 | 0.2059 | 0.2166 |
| Harmanine | 1.1453 | 1.6064 | 0.6935 | 0.5548 |
| Histamine | 0.6356 | 0.5136 | 1.3580 | 1.4928 |
| Histidinal | 1.1570 | 1.6941 | 0.4767 | 0.6722 |
| Histidinyl-Glutamine | 0.8516 | 2.4545 | 0.1096 | 0.5842 |
| Histidinyl-Isoleucine | 1.1453 | 1.9693 | 0.2326 | 0.6527 |
| Histidinyl-Lysine | 0.9343 | 2.5610 | 0.2659 | 0.2387 |
| Histidinyl-Phenylalanine | 1.1089 | 2.1028 | 0.0855 | 0.7028 |
| Histidinyl-Proline | 0.3129 | 0.3417 | 1.8060 | 1.5394 |
| Histidinyl-Serine | 0.5510 | 2.7549 | 0.2825 | 0.4116 |
| H-LEU-VAL-OH | 1.4591 | 1.8716 | 0.2087 | 0.4607 |
| Hoduloside VII | NA | 0.0501 | 1.8573 | 0.4593 |
| Homocitrulline | 0.6796 | 0.6051 | 1.4947 | 1.2206 |
| Humilixanthin | NA | 0.1554 | 1.0699 | 1.2116 |
| Hydrocotarnine | 1.1283 | 0.2296 | 1.4654 | 1.1767 |
| Hydroxyprolyl-Hydroxyproline | 0.2750 | 0.1263 | 1.6949 | 1.9038 |
| Hydroxyprolyl-Leucine | 1.0043 | 1.1046 | 0.7901 | 1.1011 |
| Hydroxyprolyl-Lysine | 1.3476 | 1.6304 | 0.0458 | 0.9762 |
| Hydroxyprolyl-Proline | 0.7255 | 0.9003 | 1.2026 | 1.1716 |
| Hydroxyprolyl-Threonine | 1.4763 | 1.5685 | 0.1029 | 0.8523 |
| Imidazoleacetic acid | 0.1165 | 0.1055 | 1.7414 | 2.0367 |
| Imidazolone | 0.7922 | 0.6540 | 1.1509 | 1.4029 |
| Indole-5,6-quinone | 0.8066 | 2.5021 | 0.2739 | 0.4174 |
| Isobornyl propionate | 1.0268 | 1.0449 | 0.8855 | 1.0429 |
| Isofebrifugine | 1.0083 | 1.3653 | 0.2490 | 1.3774 |
| Isoleucyl-Phenylalanine | 0.1771 | 1.6605 | 0.0363 | 2.1261 |
| Isoleucyl-Threonine | 1.4610 | 1.3998 | 0.1372 | 1.0020 |
| Isoleucyl-Tryptophan | 1.2688 | 2.2565 | 0.0452 | 0.4294 |
| Isopropyl formate | 0.0971 | 0.1235 | 2.1916 | 1.5877 |
| Isopropylpyrazine | 1.0549 | 1.2714 | NA | 0.0210 |
| Isowillardiine | 1.0435 | 1.0899 | 0.8218 | 1.0449 |
| Janthitrem E | 0.0005 | 0.0003 | 2.4099 | 1.2561 |
| Koenimbine | 0.1283 | 0.2923 | 2.3686 | 1.2109 |
| Kojibiose | 1.4607 | 2.3351 | 0.0426 | 0.1615 |
| L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid | 0.2524 | 0.1564 | 2.1946 | 1.3966 |
| Laccarin | 1.3246 | 1.2319 | 0.7622 | 0.6813 |
| L-Acetopine | 1.0752 | 1.3978 | 0.6672 | 0.8599 |
| Lactaroviolin | 0.6087 | 0.6404 | 1.2931 | 1.4578 |
| L-Alanine | 0.7026 | 0.8438 | 2.2244 | 0.2293 |
| L-alpha-Amino-1H-pyrrole-1-hexanoic acid | 1.9947 | 1.8742 | 0.0366 | 0.0945 |
| L-beta-aspartyl-L-aspartic acid | 0.5000 | 0.5880 | 1.4996 | 1.4123 |
| L-beta-aspartyl-L-glycine | 0.2275 | 0.4579 | 1.5642 | 1.7504 |
| L-beta-aspartyl-L-threonine | 1.2368 | 1.0125 | 0.9275 | 0.8232 |
| L-Carnitine | 0.9200 | 0.8813 | 1.2195 | 0.9792 |
| L-Cystine | 0.0010 | 1.9993 | 0.0006 | 0.0007 |
| Leucyl-Arginine | 1.2033 | 1.5168 | 0.4093 | 0.8706 |
| Leucyl-Asparagine | 1.5065 | 1.2134 | 0.1161 | 1.1639 |
| Leucyl-Aspartate | 1.4151 | 1.5938 | 0.3470 | 0.6441 |
| Leucyl-Gamma-glutamate | 1.5390 | 1.8844 | 0.2004 | 0.3762 |
| Leucyl-Hydroxyproline | 2.0417 | 1.5156 | 0.3871 | 0.0556 |
| Leucyl-Isoleucine | 0.3298 | 2.7772 | 0.0143 | 0.8787 |
| Leucyl-Lysine | 0.7500 | 1.8198 | 0.2769 | 1.1532 |
| Leucyl-Methionine | 1.5904 | 2.3633 | 0.0268 | 0.0195 |
| Leucyl-phenylalanine | 1.2823 | 1.0565 | 0.6613 | NA |
| Leucyl-Serine | 1.6134 | 1.7356 | 0.0323 | 0.6186 |
| L-Furosine | 0.9819 | 0.9238 | 1.1027 | 0.9915 |
| L-Glutamine | 3.2359 | 0.3864 | 0.1724 | 0.2053 |
| L-Histidine | 1.6528 | 1.0410 | 0.6159 | 0.6903 |
| L-Iditol | 1.5196 | 1.1987 | 0.5376 | 0.7441 |
| Liensinine | 1.2679 | 1.6070 | 0.5789 | 0.5462 |
| Linatine | 1.9050 | 1.2391 | 0.1399 | 0.7161 |
| L-Kynurenine | 1.3083 | 1.2694 | 0.1356 | 0.1313 |
| L,L-Cyclo(leucylprolyl) | 1.5815 | 1.9619 | 0.1861 | 0.2706 |
| L-Lysine | 0.3345 | 0.7226 | 1.3571 | 1.5858 |
| L-Methionine | 2.1702 | 1.7055 | 0.0404 | 0.0839 |
| L-Norleucine | 1.1024 | 1.0219 | 0.7716 | 1.1041 |
| L-Phenylalanine | 1.3194 | 1.7221 | 0.5895 | 0.3689 |
| L-Pipecolic acid | 1.5177 | 1.0137 | 0.2305 | 0.1753 |
| L-Proline | 1.2103 | 1.1921 | 0.8377 | 0.7600 |
| L-prolyl-L-proline | 0.3400 | 0.3699 | 1.6929 | 1.5973 |
| L-Pyroglutamic acid | 1.2809 | 1.0050 | 0.8829 | 0.8311 |
| L-Targinine | 1.5982 | 1.2796 | 0.6214 | 0.5008 |
| L-Theanine | 1.1027 | 1.0485 | 0.9422 | 0.9066 |
| L-Threo-3-Phenylserine | 0.7123 | 1.0152 | 1.2078 | 1.0646 |
| L-Threonine | 1.2113 | 0.8768 | 1.0152 | 0.8966 |
| L-Tryptophan | 1.4904 | 1.3484 | 0.5537 | 0.6076 |
| L-Tyrosine | 1.0365 | 0.9124 | 0.6451 | 1.4060 |
| L-Valine | 1.2807 | 1.0549 | 0.8745 | 0.7899 |
| Lysyl-Aspartate | 0.2418 | 0.3358 | 0.5865 | 2.8358 |
| Lysyl-Glycine | 0.9352 | 1.5771 | 0.8679 | 0.6199 |
| Lysyl-Histidine | 0.9726 | 1.6977 | 0.6487 | 0.6810 |
| Lysyl-Leucine | 0.7466 | 1.1131 | 1.1462 | 0.9941 |
| Lysyl-Phenylalanine | 0.8576 | 2.0886 | 0.5026 | 0.5512 |
| Lysyl-Threonine | 0.3609 | 2.7368 | 0.3207 | 0.5816 |
| Lysyl-Tryptophan | 1.5750 | 1.3465 | 0.5352 | 0.5433 |
| Maltol | 1.9224 | 0.2443 | 1.1543 | 0.0369 |
| Malvidin 3-(6-acetylglucoside) | 1.2825 | 1.4837 | 0.4366 | 0.7973 |
| Marmeline | 1.8911 | 1.3177 | 0.2970 | 0.4942 |
| Melamine | 1.2877 | 1.3396 | 0.7014 | 0.6713 |
| Meta-Tyrosine | 0.7967 | 0.7792 | 0.7612 | 1.6630 |
| Metenamine | 0.5132 | 0.5362 | 1.6956 | 1.2549 |
| Methionine sulfoxide | 0.5027 | 0.5133 | 1.4014 | 1.5826 |
| Methionyl-Gamma-glutamate | 1.1588 | 2.1956 | 0.2021 | 0.1654 |
| Methionyl-Methionine | 1.1786 | 2.5975 | 0.1722 | 0.0516 |
| Methoxypyrazine | 0.6602 | 0.7270 | 1.6187 | 0.9941 |
| Methyl 2-aminobenzoate | 0.7354 | 0.6147 | 1.4081 | 1.2418 |
| Methyl 3-carbazolecarboxylate | 0.1308 | 0.5531 | 0.4915 | 2.8246 |
| Methyl acrylate | 0.3433 | 0.2267 | 1.8079 | 1.6221 |
| Methylguanidine | 1.2966 | 1.1190 | 0.6935 | 0.8909 |
| Methylimidazole acetaldehyde | 1.2382 | 1.1893 | 0.7316 | 0.8410 |
| Methylpyrazine | NA | 0.1014 | 1.2877 | 1.6109 |
| Millefin | 0.3703 | 0.3265 | 1.2834 | 2.0198 |
| Monoglyceride citrate | 0.6417 | 0.9411 | 1.1867 | 1.2306 |
| Morphine | 1.1759 | 1.1121 | 0.8564 | 0.8557 |
| Morpholine | 2.6761 | 0.0339 | 0.0519 | 0.2839 |
| Mukoline | 0.1430 | 0.1193 | 1.8983 | 1.8394 |
| Mukonal | 1.9081 | 1.5546 | 0.3610 | 0.1763 |
| Muramic acid | 0.2962 | 0.4301 | 1.6930 | 1.5807 |
| N1-Acetylspermidine | 0.3117 | 1.4821 | 0.6204 | 1.5858 |
| N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide | 1.2202 | 2.5389 | 0.0493 | 0.1916 |
| N2-Methylguanine | 1.1969 | 0.7973 | 1.0643 | 0.9415 |
| N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine | 0.6299 | 0.2658 | 1.5441 | 1.5602 |
| N6-Isopentenyladenosine | 0.2282 | 2.4781 | 0.8169 | 0.4768 |
| N6-Methyladenosine | 0.1346 | 1.4537 | 1.4901 | 0.9215 |
| N-a-Acetyl-L-arginine | 0.5553 | 0.5071 | 1.9734 | 0.9642 |
| N-Acetylarylamine | 1.4263 | 1.3432 | 0.2760 | 0.1395 |
| N-Acetylhistamine | 1.8926 | 0.4371 | 1.5739 | 0.0964 |
| N-Acetylneuraminic acid | 0.0743 | 0.2721 | 1.7261 | 1.9275 |
| N-Acetylputrescine | 0.8978 | 0.8280 | 1.2069 | 1.0673 |
| N-Alpha-acetyllysine | 1.2586 | 1.0071 | 0.8804 | 0.8539 |
| N-Carboxyethyl-g-aminobutyric acid | 1.2573 | 1.6528 | 0.4218 | 0.2129 |
| Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] | NA | 0.0056 | 1.5237 | 0.8078 |
| Neuraminic acid | 0.3193 | 0.6283 | 1.6464 | 1.4059 |
| N^-Formylkynurenine | 0.3329 | 0.3096 | 1.4604 | 1.8971 |
| N-(gamma-Glutamyl)ethanolamine | 1.8769 | 1.5859 | 0.0369 | 0.5003 |
| N-gamma-Glutamylglutamine | 0.5529 | 2.1874 | 0.4311 | 0.8286 |
| Nicotinamide | 1.4205 | 1.4575 | 0.0120 | 0.7807 |
| Nicotinic acid | 0.9024 | 0.9615 | 1.5742 | 0.5619 |
| N-Methylsalsolinol | 0.7614 | 0.6908 | 1.2815 | 1.2663 |
| N-methylvaline | 2.3042 | 0.6731 | 0.5151 | 0.5077 |
| N,N-Dimethylguanosine | 0.0843 | 0.6284 | 2.1804 | 0.8016 |
| N^-nitrosonornicotine | 1.2208 | 1.0832 | 0.7926 | 0.9035 |
| N-Nitroso-pyrrolidine | 1.1218 | 2.3523 | 0.2429 | 0.2831 |
| Norcotinine | 1.7107 | 0.8394 | 0.6907 | 0.7592 |
| Norepinephrine | 1.4969 | 1.6900 | 0.4088 | 0.4042 |
| Nornicotine | 1.2584 | 1.4360 | 0.5418 | 0.7639 |
| Nor-psi-tropine | 1.2503 | 1.1662 | 0.3753 | NA |
| Norvaline | 1.3383 | 1.0198 | 0.8852 | 0.7567 |
| Notoginsenoside Fe | NA | NA | 1.0451 | 0.9549 |
| O-Desmethylcarvedilol | 0.0646 | 0.1370 | 1.3215 | 2.1651 |
| Ophthalmic acid | 1.1948 | 1.1084 | 0.7221 | 0.9747 |
| Ornithine | 1.1945 | 1.2065 | 0.8331 | 0.7660 |
| Oxidized-adrenal-ferredoxin | 1.1548 | 1.1161 | 0.7921 | 0.9370 |
| PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) | 1.9657 | 1.7723 | 0.1652 | 0.0968 |
| PA(21:0/12:0) | 0.0652 | 0.0763 | 2.1092 | 1.7493 |
| PA(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) | 0.0009 | 0.0013 | 1.6140 | 1.3848 |
| PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) | NA | NA | 0.7724 | 1.2276 |
| PC(16:1(9Z)/20:2(11Z,14Z)) | 0.0062 | 0.0079 | 0.5539 | 3.4320 |
| PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) | NA | 0.0031 | 1.3883 | 1.6086 |
| Pentanenitrile | 1.8856 | 1.5296 | 0.2932 | 0.2916 |
| Pentosidine | 0.5184 | 0.4664 | 0.8541 | 2.1612 |
| Phenylacetaldehyde | 2.2087 | 1.7384 | 0.0318 | 0.0212 |
| Phenylalanyl-Alanine | 1.7047 | 1.6561 | 0.3337 | 0.3054 |
| Phenylalanyl-Arginine | 1.2853 | 2.3428 | 0.1227 | 0.2493 |
| Phenylalanyl-Asparagine | 1.0725 | 2.0663 | 0.2144 | 0.6467 |
| Phenylalanyl-Gamma-glutamate | 1.4696 | 2.2721 | 0.0182 | 0.2400 |
| Phenylalanyl-Glycine | 1.7484 | 2.0566 | 0.0151 | 0.1799 |
| Phenylalanyl-Methionine | 0.2073 | 3.5558 | 0.1440 | 0.0929 |
| Phenylalanylphenylalanine | 0.1333 | 2.6974 | NA | 0.1693 |
| Phenylalanyl-Tryptophan | 0.0594 | 3.2388 | 0.0577 | 0.3306 |
| Phenylethylamine | 1.9117 | 1.6965 | 0.1425 | 0.2493 |
| Phosphorylcholine | 1.3511 | 1.2365 | 0.7088 | 0.7037 |
| Phytolaccinic acid | 0.0080 | 0.0167 | 0.7651 | 2.4706 |
| PI(16:1(9Z)/18:1(11Z)) | NA | NA | 0.7822 | 1.2178 |
| Piceatannol 4^-galloylglucoside | NA | 0.1165 | 1.8831 | 1.0004 |
| Pipecolic acid | 1.0873 | 1.0912 | 0.8940 | 0.9275 |
| Piperanine | 1.5203 | 1.3362 | 0.3142 | 0.8293 |
| Piperettine | 1.0660 | 0.9468 | 0.6462 | 1.3411 |
| Piperidine | 1.8564 | 1.3884 | 0.4732 | 0.2819 |
| Pipernonaline | 1.8575 | 1.9208 | 0.0284 | 0.1933 |
| Piperolein B | 2.2366 | 0.8018 | 0.4872 | 0.4745 |
| Piplartine | 0.6060 | 0.8125 | 1.2168 | 1.3647 |
| Porphobilinogen | 0.8225 | 0.6921 | 0.8491 | 1.6363 |
| Proline betaine | 0.7389 | 1.0433 | 1.1503 | 1.0675 |
| Prolyl-Alanine | 0.9906 | 1.0142 | 0.9723 | 1.0229 |
| Prolyl-Arginine | 1.2300 | 1.7919 | 0.1600 | 0.8181 |
| Prolyl-Asparagine | 1.6852 | 1.7264 | 0.2147 | 0.3737 |
| Prolyl-Aspartate | 1.6044 | 1.4325 | 0.4749 | 0.4882 |
| Prolyl-Gamma-glutamate | 0.1555 | 0.2870 | 2.6768 | 0.8806 |
| Prolyl-Glutamine | 1.6978 | 1.7025 | 0.2519 | 0.3478 |
| Prolyl-Histidine | 1.7684 | 1.6248 | 0.2921 | 0.3147 |
| Prolylhydroxyproline | 1.2150 | 1.0773 | 0.8884 | 0.7821 |
| Prolyl-Lysine | 1.8104 | 1.3546 | 0.3878 | 0.4472 |
| Prolyl-Methionine | 1.0282 | 1.0564 | 0.6002 | 1.3152 |
| Prolylphenylalanine | 1.9482 | 1.9704 | 0.0593 | 0.0221 |
| Prolyl-Threonine | 1.1398 | 0.9166 | 0.9899 | 0.9536 |
| Prolyl-Tyrosine | 1.3599 | 1.2704 | 0.4176 | 0.9521 |
| Prostaglandin E2 | 1.3188 | 1.8019 | 0.5107 | 0.3686 |
| Prostaglandin F1a | 0.0004 | 0.0006 | 2.3552 | 1.3107 |
| Prostaglandin J2 | 1.1653 | 1.9221 | 0.4532 | 0.4594 |
| PS(14:0/20:2(11Z,14Z)) | 0.0025 | 0.0028 | 1.4832 | 1.5142 |
| PS(20:2(11Z,14Z)/18:2(9Z,12Z)) | NA | NA | 0.7444 | 1.2556 |
| PS(22:0/20:2(11Z,14Z)) | 0.0004 | 0.0020 | 0.7845 | 2.2141 |
| PS(22:2(13Z,16Z)/20:2(11Z,14Z)) | NA | 0.0004 | 0.4172 | 1.9160 |
| PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) | 0.0182 | 0.0158 | 1.0701 | 1.5852 |
| Pseudomonine | 0.4815 | 0.4581 | 1.7551 | 1.3053 |
| Pterin | 0.0624 | 0.7633 | 1.5650 | 1.6092 |
| Pterolactam | 1.2568 | 1.3816 | 0.4586 | 0.9030 |
| Pyridoxal | 0.0931 | 0.3905 | 1.2447 | 1.2607 |
| Pyridoxamine | 1.3809 | 1.3093 | 0.6174 | 0.6924 |
| Pyridoxine | 2.0338 | 1.8844 | 0.0354 | 0.0465 |
| Pyrimidine | 2.7931 | 0.4514 | 0.0244 | 0.0807 |
| Pyrrolidine | 1.3468 | 1.1144 | 0.8067 | 0.7322 |
| (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol | 0.7480 | 0.5302 | 0.7275 | 1.7537 |
| Riboflavin | 0.7402 | 0.9491 | 0.3073 | 2.0034 |
| Riboflavin reduced | 0.0510 | 0.0437 | 1.9362 | 1.9691 |
| Ribothymidine | 0.6668 | 1.1775 | 1.0673 | 1.0884 |
| (R)-Marmin | 0.4785 | 0.4362 | 1.5548 | 1.5305 |
| Saccharopine | 1.4568 | 1.2949 | 0.6373 | 0.6110 |
| S-Allylcysteine | 1.4108 | 1.5201 | 0.4496 | 0.6194 |
| Salviaflaside methyl ester | NA | 0.2609 | 2.0655 | 0.6736 |
| Sarcosine | 0.9194 | 0.9428 | 0.8761 | 1.2618 |
| Saxitoxin | 2.3398 | 1.4659 | 0.0917 | 0.1027 |
| Schinifoline | 1.5259 | 0.4310 | 1.0879 | 0.9552 |
| S-Cysteinosuccinic acid | 1.1547 | 1.0303 | 0.9355 | 0.8795 |
| Serinyl-Gamma-glutamate | 1.8223 | 1.7547 | 0.0922 | 0.3308 |
| Serylaspartic acid | 1.5740 | 1.6108 | 0.2608 | 0.5543 |
| Serylleucine | 1.5969 | 1.5827 | 0.3805 | 0.4399 |
| Serylmethionine | 0.7874 | 0.9423 | 0.4811 | 1.7892 |
| Serylphenylalanine | 1.3236 | 1.4239 | 0.0905 | 1.1620 |
| Serylthreonine | 1.7412 | 1.7061 | 0.0419 | 0.5107 |
| (+)-Setoclavine | 0.8834 | 1.8957 | 0.3176 | 0.9033 |
| (S,E)-Zearalenone | 0.6611 | 0.5529 | 1.5833 | 1.2026 |
| Simulenoline | 0.9720 | 1.0280 | NA | NA |
| Soyasaponin II | NA | NA | 1.3267 | 0.6733 |
| Spinacine | 1.0476 | 1.0214 | 0.9714 | 0.9597 |
| Squamolone | 1.2940 | 0.3211 | 0.6475 | 1.7374 |
| Stearyl citrate | 0.1104 | 2.1460 | 0.5491 | 1.1946 |
| Subaphylline | 0.6978 | 2.5416 | 0.0104 | 0.7502 |
| Sucrose | 0.1930 | 0.6137 | 1.6635 | 1.5298 |
| Sulfolithocholic acid | 1.1223 | 1.3570 | 0.3102 | 1.2105 |
| Syndesine | 1.4733 | 1.5177 | 0.2459 | 0.7631 |
| Tetraacetylethylenediamine | 0.0701 | 0.2084 | 1.8797 | 1.8418 |
| Tetramethylpyrazine | 1.2092 | 1.3005 | 0.7293 | 0.7610 |
| Theophylline | 1.7898 | 1.2569 | 0.4295 | 0.5238 |
| Thiamine | 0.6598 | 0.4169 | 0.9655 | 1.9578 |
| Thiomorpholine 3-carboxylate | 1.0844 | 0.9719 | NA | NA |
| (+)-threo-2-Amino-3,4-dihydroxybutanoic acid | 0.1637 | 1.8047 | 1.0049 | 1.0266 |
| Threoninyl-Aspartate | 1.6889 | 1.6650 | 0.1740 | 0.4721 |
| Threoninyl-Glutamine | 1.1996 | 0.9261 | 0.8275 | 1.0469 |
| Threoninyl-Glycine | 1.8453 | 1.4319 | 0.1411 | 0.5817 |
| Threoninyl-Methionine | 2.0843 | 1.5677 | 0.1737 | 0.1743 |
| Threoninyl-Proline | 0.3677 | 0.2669 | 1.9518 | 1.4136 |
| Threoninyl-Threonine | 1.9785 | 1.2852 | 0.1026 | 0.6336 |
| Threoninyl-Tryptophan | 1.5582 | 1.5382 | 0.0475 | 0.2211 |
| Tocopheronic acid | 0.3235 | 0.5742 | 1.5739 | 1.5285 |
| trans-S-(1-Propenyl)-L-cysteine | 0.1680 | 0.1500 | 2.9924 | 0.0687 |
| Triethylamine | 1.4066 | 0.8161 | 0.5951 | 1.1822 |
| Trigonelline | 1.6333 | 1.4461 | 0.4716 | 0.4490 |
| Trimethylpyrazine | 0.0715 | 1.1510 | 1.4807 | 1.2967 |
| Triphasiol | 1.5514 | 0.5090 | 0.9084 | 1.0312 |
| Tromethamine | 1.0368 | 0.9868 | 0.9676 | 1.0088 |
| Tryptophyl-Glycine | 1.5098 | 1.4583 | 0.3179 | 0.7140 |
| Tryptophyl-Methionine | 1.7773 | 2.0053 | 0.1928 | 0.0246 |
| Tryptophyl-Valine | 0.3681 | 0.1938 | 1.7669 | 1.6713 |
| Tyrosyl-Gamma-glutamate | 0.3931 | 0.4989 | 0.7067 | 2.4012 |
| Tyrosyl-Histidine | NA | 0.2608 | 1.5417 | 1.1975 |
| Tyrosyl-Leucine | 1.8899 | 1.6773 | 0.0194 | 0.4135 |
| Tyrosyl-Lysine | 0.1811 | 1.6696 | NA | 1.1493 |
| Tyrosyl-Phenylalanine | 1.5180 | 2.2080 | 0.0037 | 0.2702 |
| Tyrosyl-Threonine | 1.8083 | 1.7890 | 0.0783 | 0.3244 |
| Tyrosyl-Tryptophan | 1.3702 | 1.1228 | NA | 0.5070 |
| Tyrosyl-Valine | 0.5960 | 3.0541 | 0.2683 | 0.0815 |
| Valyl-Lysine | 1.4883 | 1.3855 | 0.6046 | 0.5216 |
| Valyl-Methionine | 1.8883 | 2.0972 | 0.0058 | 0.0086 |
| Valyl-Proline | 0.4347 | 0.4285 | 1.5736 | 1.5632 |
| Valyl-Tryptophan | 1.5766 | 1.9746 | 0.0041 | 0.4447 |
| Valyl-Tyrosine | 0.3537 | 0.4142 | 1.4667 | 1.7655 |
| Valyl-Valine | 1.1601 | 1.4166 | 0.0162 | 0.7512 |
| Vinylacetylglycine | 0.0886 | 0.0901 | 1.8318 | 1.9894 |
| (x)-1,2-Propanediol 1-O-b-D-glucopyranoside | 1.4021 | 0.8825 | 0.9088 | 0.8065 |
| Xanthurenic acid | 1.5247 | 1.5077 | 0.3801 | 0.5875 |
| z-Clausenamide | 0.3644 | 0.4353 | 1.5244 | 1.6759 |
Factors:
| F1 | Treatment:FP |
| F2 | Treatment:FP_medium |
| F3 | Treatment:LGG |
| F4 | Treatment:LGG_medium |