Data for (Study ST001754)
(Analysis AN002857)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2^,4^-DIHYDROXYACETOPHENONE | 0.8457 | 1.1228 | 1.0676 | 1.0001 | 1.0670 | 1.5718 | 0.8177 | 0.9775 | 0.8335 | 1.0128 | 1.0608 | 1.0889 | 0.8829 | 1.0713 | 1.0437 | 0.9679 | 0.9550 | 0.9225 | 0.8028 | 1.0693 | 0.9387 | 1.0485 | 0.8379 | 1.1259 | 0.9637 | 0.9165 | 0.8717 | 1.1887 |
| 2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACID | 4.2546 | 0.7357 | 0.7551 | 0.3741 | 0.2656 | 0.7896 | 0.5275 | 1.1595 | 1.1380 | 1.5441 | 1.1386 | 0.6545 | 1.5183 | 0.6333 | 0.7449 | 1.8813 | 0.5728 | 1.2963 | 1.0153 | 1.1241 | 0.5402 | 0.4875 | 1.3369 | 0.8437 | 0.5528 | 0.9645 | 0.7042 | 0.4555 |
| 2,6-Dimethylheptanoyl Carnitine | 2.9064 | 0.6555 | 0.9922 | 0.7577 | 1.2760 | 0.5701 | 0.8013 | 0.6781 | 1.6649 | 0.8954 | 0.5555 | 0.8497 | 0.5043 | 1.2473 | 1.4432 | 0.5734 | 0.8881 | 0.6318 | 2.6715 | 0.6090 | 1.1178 | 0.2921 | 0.6227 | 0.8825 | 0.7321 | 0.9278 | 1.1630 | 1.6179 |
| 2^-DEOXYGUANOSINE;ADENOSINE | 2.2613 | NA | 0.5784 | 0.7461 | 0.1729 | NA | 0.9381 | 0.4551 | 0.9150 | 2.6163 | 0.6612 | 0.7556 | 0.9297 | 0.4585 | 0.6461 | 0.8200 | 2.1782 | 0.8333 | 2.6639 | 0.8990 | 0.4825 | 0.7645 | 0.8362 | 1.6130 | 1.3651 | 0.2779 | 0.6428 | 0.8976 |
| 2^-DEOXYURIDINE 5^-MONO-PHOS-PHATE | 0.1487 | 3.5355 | 0.3793 | 0.0308 | 4.8999 | 0.4564 | 0.0680 | 0.0304 | 0.0731 | 0.1058 | 0.0467 | 3.9225 | 0.0321 | 0.2213 | NA | NA | NA | 0.0411 | NA | NA | NA | 0.0346 | NA | NA | NA | 0.0515 | NA | NA |
| 2-hydroxyglutarate | 0.8166 | 1.0409 | 0.7611 | 0.6797 | 1.0100 | 0.9184 | 0.7248 | 1.4140 | 0.6532 | 1.2608 | 0.9292 | 1.5438 | 0.7319 | 1.0109 | 0.9895 | 0.8599 | 0.8049 | 1.4837 | 0.5716 | 0.9365 | 1.6876 | 1.4556 | 0.8474 | 0.8485 | 0.8475 | 1.2316 | 0.8572 | 0.6921 |
| 2-hydroxyglutarate+Na | 1.0498 | 1.0742 | 0.5600 | 0.5268 | 1.0445 | 0.9779 | 0.6904 | 2.1765 | 0.7096 | 2.0464 | 0.5602 | 1.6018 | 0.8380 | 0.6356 | 1.2763 | 1.0079 | 0.4701 | 0.6122 | 0.6118 | 1.0497 | 3.0068 | 0.6456 | 0.6871 | 0.8641 | 0.7116 | 0.7328 | 0.8486 | 0.6949 |
| 2-hydroxyglutarate-water | 1.0046 | 0.7326 | 0.3970 | 1.1707 | 0.3447 | 0.5513 | 0.7965 | 1.3637 | 0.7629 | 1.2215 | 2.1973 | 0.4677 | 0.5624 | 1.9543 | 0.7450 | 2.3707 | 0.2510 | 1.2683 | 0.4212 | 2.0932 | 1.8965 | 0.5332 | 0.4198 | 1.6282 | 2.6004 | 0.1998 | 0.6627 | 0.4956 |
| 2-Hydroxyphenylalanine;L-TYROSINE | 1.2427 | 1.1454 | 0.6365 | 0.8169 | 0.3512 | 0.6051 | 1.0579 | 1.0449 | 0.9952 | 1.1454 | 0.9585 | 0.8650 | 0.7380 | 0.8645 | 0.6213 | 1.0309 | 1.0730 | 1.4912 | 1.2751 | 0.8310 | 0.6202 | 1.1670 | 1.1578 | 1.1454 | 1.2535 | 0.9412 | 0.9250 | 1.9775 |
| 3-METHYL-2-OXINDOLE | 1.3517 | 1.4347 | 1.2336 | 0.4305 | 0.2310 | 0.7466 | 0.3222 | 1.5094 | 1.2546 | 1.0973 | 0.4325 | 0.8435 | 0.7738 | 1.1906 | 0.6246 | 0.9914 | 0.2214 | 0.9577 | 0.7037 | 1.3497 | 0.9759 | 0.2508 | 1.1331 | 4.6473 | 0.9454 | 0.9677 | 1.1519 | 0.2506 |
| 3-METHYLHISTAMINE | 1.3096 | 1.2286 | 0.7618 | 0.8176 | 0.4559 | 1.1146 | 1.3401 | 0.9252 | 1.0191 | 1.1340 | 0.8266 | 0.9251 | 0.7168 | 1.3536 | 1.1511 | 1.2215 | 1.3321 | 0.9436 | 0.8426 | 1.1097 | 0.7489 | 0.9466 | 1.5002 | 1.0296 | 0.5868 | 1.1971 | 0.5912 | 0.4452 |
| 3-UREIDOPROPIONATE | 2.5752 | 1.6552 | 1.5667 | 0.8148 | 1.6085 | 0.5819 | 0.7789 | 0.4699 | 0.8761 | 1.1102 | 0.8056 | 1.1445 | 0.7908 | 0.8158 | 0.9518 | 0.8900 | 0.6825 | 0.7676 | 0.7830 | 1.1545 | 0.5297 | 1.3783 | 0.6642 | 0.8373 | 0.5716 | 1.9910 | 0.4234 | 0.9724 |
| 4-AMINOBUTANOATE (GABA);2-AMINO-2-METHYLPROPANOATE;3-AMINOISOBUTANOATE | 1.1742 | 2.3817 | 1.0051 | 0.7907 | 1.2504 | 2.2340 | 1.1003 | 0.8288 | 0.6264 | 2.5484 | 1.2099 | 2.0876 | 0.8550 | 0.8550 | 0.3596 | 0.3858 | 0.5668 | 0.6764 | 1.1003 | 0.6859 | 0.5049 | 0.8074 | 0.4644 | 0.6740 | 0.4239 | 1.0980 | 0.3644 | 0.3882 |
| 4-GUANIDINOBUTANOATE | 1.9913 | 0.5167 | 0.6074 | 0.4366 | 0.8468 | 0.4021 | 1.7332 | 0.6726 | 1.9602 | 1.6603 | 0.5117 | 0.9490 | 1.6179 | 0.7846 | 1.0205 | 1.5424 | 1.1384 | 0.6632 | 1.0682 | 1.6508 | 1.2503 | 0.4164 | 0.5689 | 0.2984 | 0.4671 | 2.1854 | 0.8005 | 0.7213 |
| 4-HYDROXYBENZOATE | 4.6540 | 0.5432 | 0.4507 | 0.1905 | 0.1498 | 0.0836 | 0.7440 | 0.3418 | 0.3126 | 0.9384 | 0.8196 | 0.6614 | 0.5496 | 0.7572 | 0.3640 | 1.0706 | 0.9896 | 1.2709 | 1.1424 | 0.7431 | 0.5737 | 0.9731 | 3.3646 | 0.8566 | 1.0339 | 0.3731 | 1.4719 | 0.5503 |
| 4-IMIDAZOLEACETIC ACID | 1.2077 | 0.4224 | 0.4611 | 0.3162 | 0.6095 | 0.2870 | 1.1823 | 1.0776 | 1.0884 | 0.9517 | 0.7560 | 0.5574 | 0.5559 | 0.4648 | 0.8886 | 3.6171 | 1.1316 | 1.0576 | 1.0348 | 2.8768 | 0.7048 | 0.4877 | 1.3105 | 1.1350 | 0.8847 | 0.7849 | 1.5596 | 0.7206 |
| 5,6-DIHYDROURACIL | 1.6051 | 0.5300 | 0.6063 | 0.5590 | 0.6717 | 0.9430 | 0.8343 | 0.7571 | 0.5420 | 0.6173 | 1.7890 | 0.6908 | 0.8095 | 1.7439 | 0.9632 | 0.8442 | 0.9773 | 0.6647 | 0.7353 | 0.8508 | 1.3670 | 0.6752 | 1.5214 | 0.8220 | 0.9292 | 0.6847 | 1.0332 | 3.0206 |
| 5-AMINOLEVULINIC ACID | 0.8060 | 1.1981 | 0.5200 | 0.7055 | 1.4290 | 0.4916 | 1.6886 | 0.9824 | 0.4278 | 1.2208 | 0.7866 | 3.3798 | 0.5812 | 0.6527 | 0.3867 | 0.8381 | 0.8642 | 0.9694 | 1.1094 | 0.6916 | 0.3278 | 0.9102 | 0.9109 | 0.6618 | 0.4232 | 0.5216 | 1.1929 | 1.0313 |
| 5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hydroxy-L_Proline | 3.8801 | 0.2832 | 1.1765 | 0.1351 | 0.2424 | 0.6598 | 1.4349 | 3.4695 | 0.3782 | 3.6633 | 1.1857 | 0.2051 | 0.5444 | 1.1857 | 0.2532 | 0.6690 | 1.1673 | 1.8086 | 1.3241 | 0.8535 | 0.1362 | 0.3467 | 0.7151 | 0.4570 | 0.8397 | 0.0817 | 1.1765 | 0.8074 |
| 5-HYDROXYINDOLEACETATE | 1.1553 | 0.9987 | 0.8530 | 0.3688 | 0.9751 | 0.5716 | 0.5738 | 0.7777 | 0.4084 | 1.5399 | 2.4727 | 1.3078 | 0.5196 | 1.8516 | 0.4645 | 0.3039 | 0.3945 | 2.9392 | 0.3678 | 0.5993 | 1.6703 | 1.4369 | 0.6338 | 0.4752 | 0.7946 | 2.7210 | 0.4538 | 0.4298 |
| 5-HYDROXY-L-TRYPTOPHAN_R1 | 0.9350 | 1.3251 | 0.7604 | 1.5734 | 0.9635 | 0.5020 | 1.2195 | 0.7314 | 1.2015 | 0.8132 | 1.2737 | 0.8387 | 0.6528 | 1.1546 | 0.5872 | 1.0180 | 1.2118 | 0.8406 | 0.7772 | 1.1198 | 0.6103 | 1.1309 | 0.9545 | 1.9337 | 0.8169 | 0.9988 | 0.9206 | 1.3419 |
| 5-HYDROXY-L-TRYPTOPHAN_R2 | 1.0448 | 0.4421 | 0.7873 | 1.6355 | 1.1857 | 0.6378 | 1.2624 | 0.8626 | 1.5424 | 0.5791 | 0.9592 | 0.9098 | 0.5343 | 1.2061 | 0.7114 | 0.9753 | 1.5174 | 0.9697 | 0.9996 | 1.2088 | 0.7051 | 1.0535 | 1.0358 | 0.9005 | 0.9302 | 1.0777 | 1.1885 | 1.1915 |
| 5-Hydroxymethyl-2-furaldehyde | 1.5795 | 2.2061 | 1.5329 | 0.6732 | 2.4340 | 1.7556 | 0.9581 | 1.1807 | 1.0513 | 2.3304 | 1.6365 | 1.3102 | 1.0565 | 1.8333 | 0.5144 | 0.4833 | 0.3932 | 0.5593 | 0.3376 | 0.5121 | 0.4512 | 0.5904 | 0.4709 | 0.4682 | 0.5132 | 0.5645 | 0.3977 | 0.4249 |
| 5-Hydroxy-N-formylkynurenine | 1.1464 | 0.9203 | 0.9518 | 0.9071 | 1.0480 | 0.6663 | 1.2430 | 0.7048 | 0.9276 | 0.8779 | 0.6796 | 1.1487 | 0.8482 | 0.6824 | 1.1777 | 1.0995 | 1.0164 | 0.7749 | 0.9909 | 1.0437 | 1.3711 | 0.8662 | 1.0528 | 1.4418 | 0.9464 | 1.0282 | 0.9877 | 1.2489 |
| 5-METHYLCYTOSINE HYDROCLORIDE | 1.2954 | 0.7540 | 0.9252 | 0.6773 | 0.6305 | 0.6732 | 0.9403 | 0.7779 | 0.8470 | 0.7540 | 0.7061 | 0.5613 | 1.2533 | 0.6757 | 1.6955 | 1.2628 | 1.4639 | 1.1509 | 1.2996 | 0.9761 | 0.6080 | 0.9960 | 1.2442 | 1.2627 | 1.3126 | 1.2265 | 1.2571 | 0.9672 |
| 5-OXO-L-PROLINE;Pyroglutamic Acid | 1.2001 | 0.7528 | 0.7563 | 0.7385 | 1.4487 | 0.6746 | 1.1859 | 1.1859 | 0.7918 | 0.9693 | 0.7030 | 1.0847 | 0.8770 | 0.9019 | 0.8912 | 1.1291 | 1.1007 | 1.0581 | 0.8309 | 1.5907 | 0.9729 | 0.8451 | 1.1220 | 0.8522 | 1.0439 | 0.8806 | 0.9303 | 1.2747 |
| 6C-SUGAR ALCOHOL | 3.7634 | 0.8753 | 0.7069 | 0.5975 | 1.6272 | 0.8301 | 0.6075 | 1.1817 | 0.4718 | 1.5421 | 0.9504 | 0.8593 | 0.5205 | 7.2270 | 0.3813 | 0.3454 | 0.2580 | 2.3600 | 0.3049 | 1.0005 | 0.2421 | 0.3685 | 0.2546 | 0.1758 | 0.2762 | 0.4305 | 0.3871 | 0.3408 |
| 6-DEOXY-HEXOSE | 0.2231 | 0.1289 | 0.0634 | 0.2874 | 0.1617 | 0.0913 | 0.2942 | 0.2034 | 0.0905 | 0.0560 | 0.2165 | 0.3112 | 0.1533 | 0.1360 | 2.2688 | 0.8646 | 2.0821 | 1.3951 | 0.7085 | 1.9672 | 2.0390 | 1.1422 | 2.1467 | 2.5703 | 2.6278 | 2.1539 | 1.6226 | 1.5364 |
| 6-Quinolincarboxylic Acid | 2.9225 | 0.0556 | 0.0501 | 1.4443 | 0.0814 | 0.0856 | 1.2043 | 0.8980 | 0.0486 | 0.3108 | 2.3242 | 1.2339 | 0.2154 | 0.1058 | 0.6599 | 1.3211 | 0.3160 | 2.0034 | 0.4861 | 1.2326 | 0.9304 | 2.0816 | 1.3181 | 3.1536 | 0.0459 | 0.6289 | 1.4116 | 0.8781 |
| ALANINE/SARCOSINE | 0.9139 | 0.8008 | 0.9353 | 0.9567 | 0.6602 | 0.7825 | 0.8589 | 1.8400 | 1.0881 | 1.1340 | 2.9159 | 0.6403 | 0.9261 | 1.4335 | 0.7213 | 0.6633 | 0.9689 | 0.8772 | 0.8772 | 0.8008 | 0.8008 | 1.2593 | 0.8482 | 0.9261 | 1.3265 | 0.8895 | 0.7947 | 0.8711 |
| ALDO/KETO-HEXOSE_R1 | 1.3521 | 1.9392 | 1.5495 | 0.7899 | 2.2060 | 1.5033 | 0.9785 | 1.1742 | 1.1653 | 1.7968 | 1.7719 | 1.4437 | 1.1012 | 1.6118 | 0.5657 | 0.4803 | 0.4483 | 0.7009 | 0.4430 | 0.5302 | 0.5284 | 0.6885 | 0.5035 | 0.5479 | 0.6778 | 0.6725 | 0.4732 | 0.4092 |
| ALDO/KETO-HEXOSE_R2 | 1.1287 | 2.0248 | 1.4965 | 0.7405 | 2.7500 | 1.5697 | 0.9264 | 1.2295 | 0.9780 | 1.8687 | 2.3442 | 0.8409 | 0.9984 | 2.0483 | 0.4953 | 0.4599 | 0.3891 | 0.3787 | 0.2808 | 1.2197 | 0.3704 | 0.6176 | 0.5085 | 0.8032 | 1.1092 | 0.3086 | 0.3054 | 0.4597 |
| ALLANTOIN | 2.0482 | 0.6394 | 0.9456 | 0.6279 | 0.5054 | 0.6087 | 0.7159 | 0.7198 | 0.7389 | 1.0567 | 0.6202 | 0.5972 | 1.1026 | 0.8193 | 1.5084 | 1.2098 | 1.2825 | 1.2366 | 1.0567 | 1.4433 | 1.7917 | 1.0720 | 1.1428 | 0.8461 | 1.0375 | 1.3132 | 1.0145 | 0.5590 |
| Allopurinol | 0.7864 | 1.4704 | 1.2482 | 0.6415 | 1.7893 | 1.4047 | 0.7053 | 1.1516 | 0.9932 | 1.7158 | 1.2289 | 1.2299 | 0.5178 | 2.0095 | 0.6647 | 0.7362 | 0.4425 | 1.4357 | 0.6666 | 1.1265 | 0.5546 | 1.1478 | 0.5227 | 0.5719 | 0.5971 | 1.3989 | 0.5043 | 0.9854 |
| ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE;L-2-Aminoadipic Acid | 2.9182 | 2.4678 | 1.3089 | 1.1562 | 0.6699 | 0.6108 | 1.5439 | 0.6308 | 0.8698 | 0.8078 | 1.3054 | 1.0592 | 0.4574 | 1.4614 | 0.8882 | 0.6045 | 0.8157 | 0.9575 | 0.6946 | 0.5875 | 1.6545 | 0.6291 | 0.5934 | 0.4368 | 0.4181 | 1.3569 | 0.8895 | 0.5536 |
| Anthranilate | 2.3956 | 0.9821 | 0.5895 | 0.4521 | 0.4513 | 0.7487 | 0.8811 | 0.4961 | 0.6746 | 0.7964 | 0.6879 | 0.4360 | 0.8182 | 1.5131 | 1.8723 | 0.9327 | 2.6700 | 1.2133 | 1.7101 | 0.4873 | 1.6295 | 1.0226 | 0.8950 | 1.2143 | 0.8207 | 0.6540 | 0.8992 | 0.7252 |
| ASPARTATE | 2.4767 | 1.3364 | 0.6446 | 1.1164 | 0.9602 | 0.9321 | 1.2211 | 1.1528 | 0.9069 | 0.6383 | 1.4463 | 0.7446 | 0.5726 | 0.9078 | 0.7906 | 1.2434 | 0.6063 | 0.6974 | 0.5081 | 1.1106 | 1.0558 | 0.7703 | 1.1042 | 0.9768 | 0.9019 | 1.3986 | 1.0052 | 0.9252 |
| BETAINE | 0.4003 | 1.2021 | 0.8091 | 1.0926 | 3.7476 | 0.8615 | 0.6570 | 0.6692 | 0.6193 | 0.8298 | 1.1693 | 2.5095 | 0.6303 | 0.8104 | 0.7629 | 0.6327 | 0.5840 | 0.7897 | 0.8323 | 0.6339 | 0.6984 | 0.7094 | 0.6662 | 0.8189 | 0.8177 | 0.7021 | 0.8663 | 1.3019 |
| BOC-D-Phenylalanine | 1.1063 | 1.0011 | 0.9170 | 0.8665 | 1.1399 | 0.7572 | 1.0306 | 0.8497 | 0.8918 | 0.9380 | 0.7319 | 1.1126 | 0.8329 | 0.7572 | 1.0095 | 0.9843 | 1.0095 | 0.7866 | 0.9759 | 1.2661 | 1.4764 | 0.8707 | 1.1105 | 1.2030 | 0.9549 | 1.0179 | 0.9927 | 1.1862 |
| BOC-L-Tyrosine_R1 | 1.1161 | 0.9466 | 0.9733 | 0.9942 | 1.1504 | 0.8095 | 1.0076 | 0.8761 | 0.9352 | 0.9714 | 0.8514 | 1.0818 | 0.9409 | 0.7676 | 1.0856 | 0.9885 | 0.9390 | 0.8171 | 0.9828 | 1.0895 | 1.3123 | 0.9599 | 1.0409 | 1.1047 | 0.9199 | 1.0361 | 1.0914 | 1.0875 |
| BOC-L-Tyrosine_R2 | 0.9166 | 0.9436 | 1.2182 | 0.8281 | 1.2926 | 0.8926 | 1.1298 | 0.7907 | 0.9862 | 1.0076 | 0.8482 | 1.0628 | 1.0425 | 0.6744 | 1.1505 | 0.8744 | 0.8843 | 0.8244 | 0.9412 | 1.0719 | 1.2195 | 0.9607 | 1.0226 | 1.1337 | 0.9796 | 1.0706 | 1.0858 | 1.0613 |
| Caffeine-D3 | 0.9542 | 1.0050 | 0.9941 | 0.9723 | 1.0485 | 0.9578 | 1.0122 | 1.0449 | 0.9614 | 0.9796 | 1.0558 | 0.9995 | 0.9469 | 1.0304 | 0.9360 | 0.9469 | 0.9215 | 1.0158 | 0.9614 | 1.0267 | 1.0848 | 1.0267 | 1.0068 | 0.9687 | 0.9687 | 1.1211 | 1.0158 | 1.0304 |
| CARNOSINE | 2.4909 | 0.4094 | 1.3128 | 0.1538 | 1.3419 | 0.9007 | 0.7634 | 1.0566 | 1.2204 | 2.3589 | 1.2547 | 1.0540 | 0.8717 | 1.3102 | 0.9958 | 0.7713 | 0.7687 | 1.2019 | 0.6340 | 0.8743 | 0.8189 | 1.2626 | 0.8598 | 0.7555 | 0.9509 | 0.7528 | 0.5943 | 0.3460 |
| Cholic Acid_R1 | 0.5685 | 0.7259 | 0.8714 | 0.3919 | 0.5842 | 3.9655 | 0.4708 | 0.0713 | 0.6500 | 0.4502 | 0.5388 | 1.6012 | 0.4832 | 0.4373 | NA | NA | 0.2247 | NA | 0.0712 | 0.0952 | 0.3116 | NA | 2.0600 | 0.1354 | NA | 0.7170 | NA | 5.5145 |
| Cholic Acid_R2 | 0.4933 | 0.6185 | 0.8668 | 0.6335 | 0.6345 | 3.5908 | 0.4377 | NA | 0.7279 | 0.3693 | 0.5273 | 1.5955 | 0.5450 | 0.4036 | 0.1078 | 0.1086 | 0.1716 | NA | NA | 0.1460 | 0.2159 | NA | 2.3193 | 0.1328 | 0.1120 | 0.9469 | NA | 5.9763 |
| Choline | 1.2401 | 1.5387 | 1.1578 | 0.8790 | 0.5576 | 1.2112 | 1.0116 | 1.0101 | 0.7907 | 1.6606 | 1.2431 | 0.7343 | 0.8486 | 1.3803 | 0.6642 | 0.9110 | 0.7252 | 1.2340 | 0.7511 | 1.0161 | 0.6490 | 1.0527 | 0.9773 | 0.7831 | 0.7160 | 1.2965 | 1.0085 | 1.2401 |
| Citrate+Na;CITRATE | 2.4486 | 0.8878 | 1.2633 | 0.4477 | 1.1449 | 0.7572 | 0.6197 | 0.6413 | 0.4677 | 1.2416 | 0.9988 | 0.5581 | 0.6514 | 0.8724 | 1.5521 | 0.6575 | 0.6017 | 1.7062 | 0.5896 | 1.3056 | 2.0628 | 1.1920 | 0.8280 | 0.6485 | 1.1047 | 2.1615 | 0.6843 | 0.5189 |
| Citrate+NH3 | 2.0926 | 0.8950 | 1.2793 | 0.4468 | 1.1851 | 0.8171 | 0.6153 | 0.6651 | 0.5168 | 1.2514 | 1.0092 | 0.5792 | 0.6802 | 0.9209 | 1.5754 | 0.7039 | 0.6310 | 1.8044 | 0.6372 | 1.1005 | 1.9304 | 1.2537 | 0.8280 | 0.6535 | 1.1779 | 2.1066 | 0.7131 | 0.5230 |
| Citrate source fragment (+H and + NH3) | 2.5298 | 0.8996 | 1.2853 | 0.4564 | 1.1548 | 0.7730 | 0.6572 | 0.6365 | 0.4841 | 1.2279 | 1.0115 | 0.5474 | 0.7229 | 0.7761 | 1.5652 | 0.6234 | 0.6159 | 1.5878 | 0.5941 | 1.4526 | 2.0463 | 1.2605 | 0.8470 | 0.6311 | 1.0521 | 1.9253 | 0.6813 | 0.5607 |
| Citrate source fragment (+NH3) | 2.3458 | 0.8942 | 1.2621 | 0.4391 | 1.1533 | 0.7906 | 0.6538 | 0.6247 | 0.4932 | 1.2596 | 1.0640 | 0.5666 | 0.6491 | 0.8658 | 1.5655 | 0.7018 | 0.5981 | 1.7785 | 0.6155 | 1.2173 | 2.0619 | 1.2097 | 0.8336 | 0.6314 | 1.0887 | 2.0299 | 0.6943 | 0.5118 |
| CITRULLINE | 1.2634 | 1.3651 | 0.8089 | 0.6257 | 0.6207 | 0.9072 | 1.2210 | 1.6449 | 0.8988 | 1.2294 | 0.8564 | 0.5198 | 1.0005 | 1.4838 | 0.7885 | 1.0514 | 0.9157 | 1.5771 | 1.3227 | 1.1023 | 0.6054 | 1.5940 | 1.0768 | 0.9412 | 0.6147 | 1.0853 | 0.6563 | 0.6266 |
| CREATINE | 0.6718 | 1.9656 | 0.5673 | 2.2045 | 1.5476 | 1.5725 | 0.8211 | 0.5076 | 0.5275 | 1.5476 | 0.6021 | 3.0181 | 0.5772 | 2.1298 | 0.2861 | 0.3105 | 0.2538 | 1.0749 | 0.5125 | 0.2802 | 0.5623 | 0.4578 | 0.3359 | 0.1821 | 0.1110 | 3.2893 | 0.5524 | 0.1772 |
| Creatine-D3_R1 | 1.0058 | 0.9708 | 1.0659 | 0.9458 | 0.9058 | 1.0108 | 1.0158 | 1.0008 | 0.9258 | 0.9008 | 1.0509 | 0.8932 | 0.9858 | 0.9608 | 0.9708 | 1.0259 | 0.9908 | 0.9708 | 0.9158 | 1.1059 | 1.1009 | 1.0359 | 1.0309 | 1.1359 | 1.1359 | 0.8257 | 1.0459 | 1.1460 |
| Creatine-D3_R2 | 0.8136 | 0.9761 | 0.8451 | 0.9544 | 0.6990 | 0.8340 | 1.1309 | 1.3579 | 0.9283 | 0.7515 | 1.1396 | 1.0346 | 0.6703 | 0.9985 | 1.0200 | 0.8509 | 1.3949 | 1.0140 | 1.1839 | 0.9161 | 0.9592 | 1.1027 | 0.9465 | 1.3035 | 0.8008 | 0.9804 | 1.1100 | 1.3023 |
| CREATININE | 2.0718 | 0.7147 | 0.6360 | 0.6140 | 0.7147 | 0.7147 | 0.9162 | 0.7242 | 0.5636 | 1.8356 | 0.6549 | 0.7336 | 0.8218 | 0.8438 | 0.9855 | 1.6499 | 1.2563 | 1.0800 | 1.1398 | 1.5649 | 1.1115 | 0.8155 | 1.2201 | 1.0013 | 0.9446 | 0.9162 | 1.0705 | 0.7305 |
| CYTIDINE_R1 | 0.7515 | 1.0937 | 1.0730 | 0.7884 | 1.4491 | 0.9870 | 0.7175 | 1.2806 | 0.5090 | 1.2557 | 1.2794 | 0.7224 | 0.6790 | 1.1459 | 0.8351 | 0.6918 | 0.5048 | 1.5376 | 0.5334 | 0.9372 | 0.8478 | 1.6451 | 0.8114 | 1.5099 | 0.6804 | 2.0381 | 0.9192 | 1.2422 |
| CYTIDINE_R2 | 0.1630 | 0.0801 | 0.0379 | 2.0404 | 3.6896 | 0.0458 | 0.0967 | 0.2407 | 1.2720 | 0.4125 | 3.5501 | 0.0240 | 0.0259 | 0.2055 | 0.0324 | 1.7481 | 0.0649 | 3.8436 | 1.3851 | 0.2659 | 0.0244 | 0.0330 | 1.4167 | 0.0483 | 0.0992 | 5.2715 | 2.3103 | 0.1315 |
| Decanoylcarnitine | 1.3881 | 2.0684 | 0.3609 | 0.6821 | 4.9544 | 0.8419 | 0.4648 | 0.4454 | 0.5429 | 0.9001 | 0.9393 | 3.0098 | 0.7949 | 0.4775 | 0.8426 | 0.3444 | 0.4544 | 0.3067 | 1.0232 | 0.8345 | 0.5823 | 0.3110 | 0.4587 | 0.7370 | 0.4119 | 1.0481 | 0.8439 | 0.4625 |
| DEOXYCARNITINE;BUTYROBETAINE | 0.9256 | 0.9721 | 1.0482 | 0.9129 | 0.9341 | 1.2511 | 0.9256 | 1.0059 | 0.6044 | 1.8893 | 0.9890 | 0.8664 | 0.6255 | 1.0566 | 0.6805 | 1.1327 | 1.0270 | 0.7101 | 1.1877 | 0.9298 | 1.0355 | 0.7819 | 0.9848 | 1.0693 | 0.6847 | 0.8876 | 1.2130 | 1.8174 |
| Diphenylamine | 0.9019 | 0.8291 | 0.9733 | 0.7075 | 0.7992 | 0.5131 | 0.9630 | 1.8712 | 1.6964 | 1.1727 | 1.2515 | 0.6600 | 1.1097 | 1.0921 | 0.6385 | 0.9914 | 0.7053 | 1.2285 | 1.0652 | 1.1902 | 0.9543 | 0.5580 | 1.0474 | 1.0390 | 0.6760 | 1.5550 | 0.7939 | 1.3094 |
| DL-5-HYDROXYLYSINE | 2.3875 | 0.2825 | 0.9750 | 0.2635 | 0.2854 | 1.1818 | 1.6138 | 1.6041 | 0.6905 | 4.2301 | 0.5329 | 0.4559 | 0.3397 | 1.3778 | 0.2611 | 0.5924 | 1.7759 | 1.9719 | 2.4822 | 2.0759 | 0.2504 | 0.3864 | 0.4466 | 0.1688 | 0.3700 | 0.2861 | 0.7887 | 1.0206 |
| Dodecanoylcarnitine | 1.0924 | 1.3822 | 0.5304 | 1.0334 | 2.2845 | 1.5710 | 0.4835 | 0.9005 | 1.7765 | 1.1925 | 1.3976 | 1.4452 | 1.0871 | 0.8689 | 0.5089 | 0.5394 | 0.5185 | 0.3434 | 0.4655 | 1.3286 | 0.4704 | 0.2202 | 0.9716 | 1.1470 | 0.6915 | 1.6441 | 0.5158 | 1.1725 |
| D-Ribose;ALDOPENTOSE | 3.3199 | 1.4551 | 0.8425 | 0.7504 | 1.2167 | 1.3412 | 0.6169 | 1.0406 | 0.7454 | 1.1885 | 1.3910 | 1.1426 | 1.1118 | 1.6882 | 0.6121 | 1.2293 | 0.5337 | 0.7271 | 0.4877 | 1.0853 | 0.5316 | 0.7873 | 0.6648 | 0.5595 | 0.7824 | 0.6999 | 0.7203 | 0.9206 |
| ERYTHRITOL | 1.4313 | 2.2198 | 1.5470 | 0.6814 | 2.5240 | 1.7655 | 0.9342 | 1.1527 | 1.0627 | 2.3483 | 1.6198 | 1.3434 | 1.0970 | 1.8084 | 0.5185 | 0.4714 | 0.3833 | 0.5614 | 0.3396 | 0.4714 | 0.4585 | 0.5957 | 0.4729 | 0.4799 | 0.5314 | 0.5614 | 0.3886 | 0.4143 |
| ETHYLMALONIC ACID | 0.9175 | 1.3611 | 1.2454 | 0.7986 | 1.4829 | 1.3473 | 0.7508 | 1.0960 | 0.9095 | 1.4531 | 1.2864 | 1.2049 | 0.6029 | 1.7573 | 0.6991 | 0.9522 | 0.4677 | 1.3148 | 0.6423 | 1.1559 | 0.6945 | 1.1572 | 0.6258 | 0.6251 | 0.6415 | 1.3595 | 0.6241 | 0.9959 |
| Formylkynurenine | 1.0248 | 0.9806 | 0.9426 | 0.9843 | 1.1696 | 0.8796 | 1.0429 | 0.8120 | 0.8100 | 0.8812 | 0.8346 | 1.0561 | 0.8107 | 0.9392 | 1.0540 | 1.1022 | 1.0293 | 0.9484 | 1.0850 | 1.0243 | 1.0258 | 0.9500 | 0.9786 | 1.3115 | 0.9250 | 1.0302 | 1.1469 | 1.1860 |
| GLUCOSAMINE/MANNOSAMINE | 0.8470 | 1.9482 | 1.6289 | 0.7689 | 2.4173 | 1.7723 | 0.8601 | 1.1403 | 1.1012 | 1.9352 | 1.5247 | 1.4823 | 1.1663 | 1.7202 | 0.6351 | 0.5174 | 0.4319 | 0.6216 | 0.3979 | 0.4087 | 0.5504 | 0.7298 | 0.5375 | 0.5932 | 0.5859 | 0.6711 | 0.4687 | 0.5181 |
| Glutathione Disulfide | 0.6446 | 0.8330 | 0.6743 | 0.2854 | 0.8720 | 0.4002 | 1.1622 | 1.0741 | 0.4475 | 3.8195 | 0.9929 | 0.6265 | 0.4313 | 1.0613 | 0.4814 | 0.3842 | 0.6803 | 2.5993 | 0.5326 | 1.4805 | 0.5124 | 1.4541 | 0.9715 | 0.3799 | 0.7964 | 2.3711 | 1.9377 | 0.4957 |
| Glycerophosphocholine | 1.1451 | 0.3771 | 1.4733 | 0.3736 | 1.0579 | 1.4803 | 0.8693 | 0.6668 | 0.5342 | 7.1222 | 1.9586 | 0.7571 | 0.6529 | 2.3776 | 0.1954 | 0.2814 | 0.3945 | 1.5431 | 0.3353 | 0.7436 | 0.3408 | 0.7820 | 0.3818 | 0.1854 | 0.2796 | 1.2569 | 0.9007 | 0.3945 |
| GLYCINE | 1.2248 | 0.7485 | 0.8141 | 0.4386 | 0.5362 | 0.4507 | 0.9249 | 1.4074 | 0.6210 | 1.9908 | 0.8255 | 0.8065 | 0.7574 | 0.7190 | 0.5397 | 1.3293 | 1.5119 | 1.0166 | 1.4283 | 0.9640 | 0.7004 | 0.8756 | 1.3226 | 1.0860 | 1.0852 | 0.7709 | 1.7159 | 1.2589 |
| Glycoursodeoxycholic acid (G-UDCA)_R1 | 0.2236 | 6.0953 | 0.4166 | 2.2894 | 0.3023 | 0.2774 | NA | 0.3512 | 1.2580 | 0.9064 | 0.4239 | 1.7643 | 0.3170 | 0.6054 | 0.3134 | 0.4024 | 0.3034 | 0.2838 | 1.3690 | 0.3488 | 0.2915 | 1.3610 | 1.0995 | 0.2862 | 0.6293 | 2.5358 | 0.9603 | 1.4850 |
| Glycoursodeoxycholic acid (G-UDCA)_R2 | 0.3043 | 7.0165 | 0.3719 | 2.5835 | NA | 0.2841 | NA | 0.3963 | 0.2422 | 0.2452 | 0.4784 | 0.9253 | 0.3578 | 0.6832 | NA | 0.4541 | 0.2342 | 0.2897 | 0.6776 | 0.3586 | NA | 0.4621 | 1.2652 | 0.2236 | 0.2659 | 2.8616 | 1.0837 | 1.6700 |
| Glycoursodeoxycholic acid (G-UDCA)_R3 | NA | 5.6459 | 0.3849 | 1.5197 | 0.4575 | 0.6238 | NA | NA | 0.5168 | 0.4552 | 0.4932 | 0.5532 | 0.5377 | 0.4889 | 0.3924 | 0.3717 | 0.4681 | 0.6395 | 0.9724 | 0.3411 | NA | 0.6210 | 1.8320 | 0.5115 | 0.4129 | 2.3470 | 0.4792 | 2.9346 |
| Glycyl-L-leucine | 1.2435 | 0.6611 | 1.0231 | 0.6411 | 0.8373 | 1.0465 | 1.2093 | 1.1541 | 0.6619 | 2.6625 | 1.2399 | 1.0748 | 0.6819 | 1.4859 | 0.4168 | 0.7644 | 0.9024 | 1.8791 | 0.8124 | 1.0896 | 0.6335 | 1.0030 | 0.8838 | 0.5294 | 0.6035 | 0.7386 | 1.2808 | 0.8810 |
| GUANIDINOACETATE | 0.2514 | 0.6165 | 0.7569 | 0.7104 | 0.3499 | 0.6815 | 1.1504 | 2.2372 | 0.6301 | 1.7849 | 0.8348 | 0.4283 | 1.4059 | 0.7633 | 0.5826 | 1.5526 | 1.2959 | 1.6138 | 1.6260 | 1.0189 | 1.1764 | 1.1095 | 1.1876 | 0.5509 | 0.5491 | 0.6344 | 1.2470 | 1.6382 |
| GUANINE_R1 | 0.4481 | 1.2918 | 0.5409 | 0.8496 | 0.4882 | 0.5464 | 0.8891 | 1.0194 | 0.4169 | 1.4924 | 2.3370 | 0.6459 | 0.5356 | 1.1496 | 0.3906 | 0.8687 | 0.9581 | 3.1838 | 0.6539 | 0.8526 | 0.4567 | 1.7114 | 0.8384 | 1.0715 | 0.9580 | 2.5005 | 0.4869 | 0.9336 |
| GUANINE_R2 | 1.5091 | 1.0195 | 1.3276 | 0.9822 | 0.9806 | 0.8546 | 0.5812 | 0.5627 | 0.6492 | 1.0327 | 0.5925 | 1.0723 | 1.5413 | 0.9257 | 0.9676 | 0.9327 | 0.5762 | 1.3865 | 0.8213 | 1.3208 | 1.3930 | 0.9111 | 1.2326 | 1.0377 | 1.0187 | 1.2694 | 0.7762 | 0.4200 |
| GUANOSINE | 0.6672 | 1.4297 | 1.3499 | 0.5360 | 2.2427 | 1.4017 | 0.6186 | 1.1242 | 1.1226 | 1.5559 | 1.2446 | 1.3156 | 0.4974 | 1.9764 | 0.7064 | 0.7073 | 0.4332 | 1.2908 | 0.9292 | 0.9334 | 0.6016 | 0.9953 | 0.4763 | 0.6368 | 0.7779 | 1.2774 | 0.4117 | 0.9483 |
| Hippuric Acid_R1 | 0.6741 | 0.9990 | 1.0115 | 0.9587 | 1.1678 | 0.9206 | 0.9212 | 1.2272 | 0.9113 | 1.0672 | 0.9628 | 1.0079 | 0.9417 | 1.0709 | 0.9672 | 0.8788 | 0.9586 | 1.0334 | 0.8845 | 1.0840 | 1.2394 | 0.9755 | 0.9864 | 0.9113 | 0.9368 | 0.8929 | 1.2487 | 1.1663 |
| Hippuric Acid_R2 | 25.2326 | 0.2986 | 0.0396 | 0.0564 | 0.4135 | 0.0841 | 0.0354 | 0.0779 | 0.0124 | 0.1153 | 0.0907 | 0.4502 | 0.0229 | 0.0493 | 0.0112 | 0.4183 | 0.1340 | 0.2167 | 0.2022 | 0.2315 | 0.0372 | 0.0661 | 0.2729 | 0.0365 | 0.0707 | 0.0941 | 0.3964 | 0.1105 |
| Homocystine | 1.9188 | 0.5027 | 0.8670 | 0.8143 | 0.4235 | 0.1804 | 1.2723 | 1.1033 | 0.7631 | 3.5517 | 0.8630 | 0.9803 | 1.9996 | 1.1238 | 0.2075 | 1.8500 | 0.8704 | 1.0501 | 0.4553 | 2.8064 | 0.8657 | 0.4484 | 0.7284 | 0.8055 | 0.8368 | 0.3878 | 0.1622 | 0.4529 |
| Hydroxyhippuric acid | 13.3190 | NA | NA | NA | 0.1596 | NA | NA | NA | NA | NA | NA | 0.5406 | 0.1088 | 0.1497 | 0.1303 | 0.1668 | 0.3477 | 0.1363 | 0.1236 | NA | 0.1353 | NA | 0.1202 | 0.1347 | NA | NA | 0.1800 | 0.1273 |
| HYPOXANTHINE | 0.6953 | 1.5939 | 0.9684 | 0.3397 | 2.3972 | 1.4605 | 0.8858 | 1.0319 | 0.7684 | 1.2891 | 1.6288 | 1.0033 | 0.2593 | 1.6098 | 0.7525 | 0.6731 | 0.5017 | 1.3430 | 0.6509 | 0.9684 | 0.6350 | 1.4256 | 0.7001 | 0.4572 | 0.5779 | 1.9082 | 0.8096 | 0.9620 |
| INOSINE | 0.7985 | 1.4384 | 1.2634 | 0.6289 | 1.8048 | 1.4766 | 0.7000 | 1.1704 | 1.0118 | 1.7884 | 1.1923 | 1.2415 | 0.5106 | 1.9689 | 0.6454 | 0.7274 | 0.4491 | 1.4274 | 0.6727 | 1.0993 | 0.5469 | 1.1485 | 0.5057 | 0.5852 | 0.6016 | 1.4001 | 0.5139 | 0.9352 |
| Isobutyrylcarnitine;Butyrylcarnitine | 1.9562 | 1.6476 | 0.8419 | 1.1245 | 1.8118 | 1.0951 | 0.8173 | 0.4984 | 0.7962 | 0.9939 | 1.0833 | 1.7904 | 0.9540 | 1.2248 | 0.6124 | 0.3199 | 0.4808 | 1.5053 | 1.3637 | 0.7922 | 0.4584 | 0.5268 | 0.8903 | 0.3373 | 0.4522 | 1.6551 | 0.5876 | 0.7020 |
| ISOCITRIC ACID | 1.2630 | 1.0253 | 1.0533 | 0.8604 | 1.0323 | 1.0682 | 0.9874 | 0.9253 | 0.8861 | 0.9258 | 1.1064 | 1.0771 | 0.9189 | 1.0781 | 0.9000 | 1.0788 | 0.8699 | 0.8873 | 0.8578 | 0.9865 | 1.1396 | 0.9546 | 1.0179 | 0.9305 | 0.9092 | 1.1126 | 1.0608 | 0.9917 |
| Isocytosine | 0.8383 | 1.1227 | 1.0916 | 0.7533 | 1.3106 | 0.9688 | 0.7524 | 1.2711 | 0.4930 | 1.1982 | 1.3503 | 0.7390 | 0.6432 | 1.1911 | 0.7703 | 0.7374 | 0.4627 | 1.4556 | 0.4722 | 0.9650 | 0.9303 | 1.6356 | 0.8415 | 1.5397 | 0.6212 | 2.0335 | 0.9382 | 1.2925 |
| Isovalerylcarnitine;Valerylcarnitine | 1.4704 | 0.5086 | 0.7507 | 1.0756 | 0.3129 | 2.7588 | 1.1520 | 0.6074 | 0.5431 | 1.0647 | 1.1063 | 0.3746 | 0.6594 | 1.6105 | 0.6692 | 0.1768 | 1.8065 | 1.4284 | 0.7748 | 1.0966 | 0.4597 | 0.5449 | 1.0696 | 0.9479 | 0.5501 | 1.8065 | 2.5627 | 0.6669 |
| Kynurenic Acid | 4.4028 | 3.4252 | 0.6099 | 0.7103 | 0.1932 | 0.2393 | 0.7537 | 0.3998 | 0.8134 | 0.4643 | 1.4402 | 0.5398 | 0.3148 | 0.5411 | 0.4895 | 0.6041 | 0.1482 | 0.3130 | 0.2437 | 0.4603 | 0.8433 | 1.9925 | 1.7611 | 1.9850 | 0.6129 | 2.4104 | 0.8806 | 0.1069 |
| L-ANSERINE | 1.8009 | 0.8030 | 0.9406 | 0.6194 | 2.9136 | 1.1241 | 0.5735 | 0.6882 | 0.7724 | 0.8985 | 0.8183 | 1.5830 | 0.6347 | 0.7800 | 1.0783 | 1.0247 | 0.6538 | 0.9483 | 0.9138 | 0.8259 | 0.9674 | 1.1356 | 0.8393 | 0.9635 | 1.1356 | 0.9941 | 0.5315 | 0.6156 |
| L-ARGININE | 1.2047 | 1.4306 | 0.9035 | 0.8967 | 0.6982 | 0.8625 | 1.2663 | 1.5059 | 0.9104 | 1.6496 | 1.1020 | 1.1260 | 0.9241 | 1.0062 | 0.7598 | 0.9309 | 0.7529 | 0.9925 | 1.2321 | 0.8282 | 0.8762 | 0.9035 | 0.9001 | 1.0336 | 0.8214 | 0.6763 | 0.9241 | 0.8556 |
| L-ASPARAGINE | 0.8641 | 1.6897 | 0.6993 | 0.5523 | 0.7517 | 0.7481 | 1.5788 | 1.2070 | 0.6080 | 1.3196 | 1.2259 | 1.1575 | 0.6023 | 0.9695 | 0.4702 | 0.9698 | 1.5689 | 0.8318 | 1.3766 | 0.8158 | 0.6412 | 0.8861 | 1.0213 | 1.1224 | 0.6322 | 0.7317 | 1.2755 | 1.5039 |
| L-CARNITINE | 0.9449 | 1.0675 | 0.7986 | 1.7910 | 0.7314 | 1.1465 | 0.8303 | 0.8619 | 0.8579 | 1.0596 | 1.3521 | 0.9607 | 0.8500 | 1.3363 | 0.8658 | 0.5377 | 0.9133 | 0.9528 | 1.1110 | 1.1703 | 0.8935 | 0.7275 | 1.0517 | 0.9172 | 0.7512 | 1.3917 | 0.9805 | 1.1347 |
| L-CYSTEINE | 1.1706 | 0.6243 | 0.7580 | 0.7493 | 0.8445 | 1.4483 | 0.2551 | 1.0432 | 1.0670 | 0.7362 | 0.7821 | 0.5482 | 1.1026 | 1.1339 | 0.6580 | 0.7128 | 1.0598 | 3.1311 | 1.1453 | 1.1034 | 1.1114 | 1.7902 | 0.7827 | 0.9135 | 1.0738 | 1.9117 | 0.5090 | 0.5031 |
| L-Cystine | 1.4431 | 0.5380 | 0.4518 | 0.6485 | 2.4897 | 0.5718 | 0.4412 | 0.7232 | 0.4086 | 1.2443 | 0.7197 | 2.1188 | 0.9566 | 0.6445 | 0.9618 | 1.2723 | 0.7841 | 1.0867 | 0.8259 | 1.4417 | 1.5165 | 0.7644 | 0.7810 | 0.5008 | 1.0125 | 1.5256 | 0.9107 | 0.3160 |
| L-GLUTAMINE | 0.9751 | 1.1767 | 1.1510 | 0.7955 | 1.0630 | 1.1694 | 1.2867 | 1.5066 | 0.9971 | 1.4809 | 1.0044 | 0.8963 | 1.0924 | 1.1950 | 0.8321 | 0.8578 | 0.9494 | 0.6415 | 0.9018 | 0.7771 | 0.8504 | 0.9238 | 0.9146 | 0.9934 | 0.8248 | 0.7588 | 0.8248 | 1.3490 |
| L-HISTIDINE | 0.7707 | 0.9530 | 0.7273 | 0.9856 | 0.5644 | 0.7946 | 1.2070 | 1.1289 | 1.0312 | 0.7381 | 1.0051 | 1.0008 | 0.5753 | 0.9183 | 0.9617 | 1.0247 | 1.5305 | 1.0681 | 1.1875 | 0.9031 | 1.0703 | 1.1115 | 1.0551 | 1.4176 | 0.9074 | 0.8532 | 1.1658 | 1.2874 |
| L-HOMOCYSTEINE THIOLACTONE | 0.6090 | 2.6081 | 1.1583 | 0.8431 | 0.3699 | 1.8808 | 1.1465 | 0.5079 | 0.9305 | 1.2029 | 0.4572 | 2.1701 | 0.7807 | 1.4858 | NA | 0.8650 | 0.6556 | 0.8397 | 0.8759 | 0.7910 | 0.8133 | 0.8645 | 0.2682 | 1.2044 | 0.7513 | 0.5881 | 0.5810 | 1.3126 |
| L-Isoleucine | 1.1809 | 2.6557 | 0.8510 | 0.6709 | 0.9619 | 1.3445 | 1.2336 | 1.0479 | 1.0894 | 1.6744 | 1.1892 | 1.3944 | 0.7512 | 1.5302 | 0.3936 | 0.6182 | 0.7928 | 0.9702 | 0.9536 | 0.7790 | 0.5295 | 1.0451 | 0.6168 | 1.0978 | 0.4879 | 0.7707 | 0.7817 | 0.5766 |
| L-KYNURENINE | 1.1495 | 0.5566 | 0.5807 | 0.8457 | 0.2551 | 0.6050 | 0.7539 | 0.9433 | 1.4737 | 0.6144 | 0.7296 | 0.4860 | 0.6400 | 1.6309 | 0.8128 | 1.2772 | 2.4169 | 2.2597 | 1.6408 | 0.8239 | 0.7325 | 1.4443 | 1.0758 | 1.2379 | 0.8869 | 0.9619 | 0.9004 | 0.7024 |
| LL-2,6-DIAMINOHEPTANEDIOATE | 1.3815 | 0.3981 | 0.7026 | 0.4527 | 0.5725 | 0.3663 | 0.5795 | 0.6308 | 2.6322 | 1.0597 | 0.4315 | 0.5419 | 0.6215 | 0.6863 | 0.7693 | 4.0929 | 0.8000 | 1.1033 | 0.9381 | 4.2930 | 0.8653 | 0.5455 | 0.8080 | 0.6382 | 0.6442 | 0.7358 | 0.8213 | 0.5381 |
| L-(+)-Lactic Acid | 1.5546 | 2.3083 | 1.4398 | 0.5669 | 2.4792 | 1.5474 | 1.0692 | 1.0986 | 1.0576 | 2.4936 | 1.5318 | 1.2963 | 1.1061 | 1.6412 | 0.5632 | 0.4798 | 0.4934 | 0.5358 | 0.3582 | 0.5533 | 0.4130 | 0.6118 | 0.5492 | 0.5312 | 0.5179 | 0.5555 | 0.4204 | 0.3810 |
| L-LEUCINE | 1.0687 | 1.9161 | 0.9101 | 0.8176 | 0.8804 | 1.2686 | 1.2488 | 0.9448 | 1.1364 | 1.4255 | 1.1744 | 1.3107 | 0.8424 | 1.3181 | 0.4509 | 0.6442 | 1.1331 | 0.9663 | 1.1447 | 0.7615 | 0.5269 | 1.0274 | 0.7012 | 1.1018 | 0.7202 | 0.7896 | 0.8936 | 0.8639 |
| L-Leucine 13C6 | 1.0088 | 0.5929 | 1.0000 | 1.1018 | 0.9912 | 0.8363 | 0.8894 | 1.0000 | 0.8938 | 0.7301 | 0.9513 | 0.8894 | 1.0265 | 0.7965 | 1.0752 | 1.3097 | 0.8274 | 0.9469 | 0.8009 | 1.3009 | 1.3850 | 1.0133 | 1.1770 | 0.9867 | 1.0398 | 1.1372 | 1.0265 | 1.1991 |
| L-Leucine-D10 | 1.0491 | 0.9527 | 1.0453 | 1.0491 | 0.9643 | 0.9797 | 1.0568 | 0.9835 | 1.0298 | 0.9257 | 1.0298 | 1.0240 | 0.9527 | 1.0260 | 0.7868 | 0.9758 | 1.0028 | 0.9604 | 0.9681 | 1.0298 | 0.9913 | 1.0337 | 1.0144 | 1.0530 | 0.9373 | 1.0028 | 1.0723 | 1.0645 |
| L-LYSINE | 0.7038 | 1.3811 | 1.1327 | 0.7562 | 0.5764 | 0.9122 | 1.2475 | 1.0082 | 0.6643 | 2.2425 | 1.4084 | 2.2346 | 0.8681 | 1.5178 | 0.3077 | 1.1065 | 0.6892 | 0.9620 | 1.0034 | 1.1950 | 0.6693 | 0.7233 | 0.6070 | 0.7478 | 0.2363 | 0.9267 | 0.6222 | 0.7078 |
| L-METHIONINE | 0.4636 | 1.2984 | 0.5542 | 0.8488 | 0.4810 | 0.5577 | 0.9150 | 1.0091 | 0.4357 | 1.4170 | 2.3529 | 0.6527 | 0.5473 | 1.1642 | 0.3956 | 0.8767 | 0.9272 | 3.0849 | 0.6518 | 0.8435 | 0.4653 | 1.6958 | 0.8549 | 1.0928 | 0.9621 | 2.4923 | 0.4932 | 0.9586 |
| L-Phenylalanine 13C6 | 0.9862 | 0.8867 | 1.0078 | 1.0251 | 1.0337 | 0.9775 | 0.9991 | 1.0467 | 1.0554 | 1.0164 | 1.0164 | 0.9883 | 1.0467 | 0.9602 | 1.0251 | 0.9948 | 0.9472 | 0.9602 | 1.0381 | 1.0208 | 1.0424 | 0.9689 | 1.0099 | 1.0337 | 1.0467 | 0.9386 | 1.0597 | 0.8694 |
| L-PROLINE | 1.0341 | 0.7995 | 0.6004 | 0.6544 | 0.3843 | 0.5448 | 1.4353 | 1.6823 | 0.7979 | 1.1853 | 1.6360 | 0.6660 | 0.6096 | 1.0001 | 0.5479 | 0.8442 | 1.5017 | 1.4091 | 1.4894 | 0.9245 | 0.6065 | 1.0865 | 1.1460 | 0.9847 | 1.2903 | 0.6189 | 1.2301 | 1.4785 |
| L-SERINE | 1.1170 | 1.2282 | 0.6906 | 0.7066 | 0.6202 | 0.9086 | 1.5088 | 1.2940 | 0.7673 | 1.2488 | 1.1214 | 1.0127 | 0.7930 | 0.9020 | 0.5896 | 0.9393 | 1.2470 | 0.9851 | 1.2862 | 0.6904 | 0.5645 | 0.6056 | 1.2961 | 1.0579 | 0.8642 | 0.6699 | 1.4622 | 1.5141 |
| L-Tyrosine 13C6 | 1.0428 | 0.9913 | 1.0010 | 1.0185 | 0.9437 | 0.9683 | 0.9916 | 1.0110 | 0.9641 | 0.9924 | 1.0020 | 1.0192 | 0.9782 | 0.9892 | 0.9599 | 0.9806 | 0.9394 | 0.9711 | 1.0359 | 1.0645 | 1.0512 | 0.9912 | 0.9982 | 1.0302 | 0.9790 | 1.0212 | 1.0391 | 1.0078 |
| LysoPC (16:0) | 1.0757 | 0.1766 | 0.9943 | 1.0552 | 0.5236 | 0.9577 | 0.9469 | 2.7848 | 2.7320 | 1.4270 | 1.3177 | 0.2876 | 1.2164 | 1.6501 | 0.2879 | 0.9983 | 0.5347 | 0.7078 | 0.7393 | 0.6479 | 0.2606 | 0.2344 | 1.3176 | 1.4708 | 1.1233 | 1.5276 | 0.3268 | 1.0722 |
| LysoPC (16:1) | 1.2618 | 0.2447 | 0.8132 | 0.7816 | 1.0517 | 0.9955 | 0.7948 | 2.2615 | 2.9077 | 1.2075 | 0.8131 | 0.9629 | 1.2065 | 0.8895 | 0.4146 | 0.9745 | 0.2912 | 0.4349 | 0.6008 | 0.9612 | 0.3301 | 0.1802 | 0.8130 | 0.9074 | 0.6271 | 3.1580 | 0.2763 | 2.0626 |
| LysoPC (18:0) | 0.7120 | 0.3738 | 0.8338 | 1.3444 | 0.6277 | 1.2507 | 0.8853 | 2.5202 | 2.6467 | 1.8691 | 2.0892 | 0.3492 | 1.6395 | 1.7847 | 0.2552 | 1.0680 | 0.4317 | 0.8151 | 0.6839 | 0.6652 | 0.1867 | 0.2720 | 0.7940 | 1.2929 | 0.9369 | 1.4428 | 0.2570 | 0.8291 |
| LysoPC (18:1) | 1.1497 | 0.1673 | 0.8727 | 0.6582 | 0.4964 | 0.7700 | 0.7182 | 4.8817 | 2.4762 | 1.0649 | 1.2377 | 0.3414 | 1.0198 | 1.2721 | 0.2336 | 1.7023 | 0.3884 | 0.5961 | 0.4435 | 0.9128 | 0.2382 | 0.1795 | 1.1233 | 1.5132 | 1.0629 | 1.2827 | 0.3576 | 1.3749 |
| LysoPC (22:6) | 0.7198 | 0.2227 | 0.2252 | 1.6628 | 0.0841 | 0.1970 | 0.4905 | 2.3485 | 7.6812 | 1.6373 | 2.0877 | 0.1226 | 0.3250 | 1.4937 | 0.1977 | 3.1089 | 0.6458 | 0.4280 | 0.9103 | 1.1593 | 0.0395 | 0.0917 | 0.5879 | 0.5565 | 0.1941 | 0.4151 | 0.2433 | 1.4130 |
| LysoPE (18:0)_R1 | 0.9858 | 0.4276 | 1.1082 | 1.1693 | 0.9335 | 1.2766 | 0.9644 | 2.3441 | 2.0596 | 1.8963 | 1.3250 | 0.3747 | 1.3242 | 1.3041 | 0.4146 | 0.7828 | 0.6650 | 0.7214 | 0.9842 | 0.6587 | 0.3604 | 0.3354 | 1.0371 | 1.3852 | 0.9229 | 1.6108 | 0.3124 | 0.9039 |
| LysoPE (18:0)_R2 | 0.5915 | 0.1916 | 0.6167 | 0.6759 | 0.4071 | 0.7095 | 0.6225 | 1.5965 | 1.2036 | 1.1074 | 0.6952 | 1.4482 | 0.7092 | 0.7642 | 0.2040 | 0.4575 | 0.3890 | 4.5494 | 0.6357 | 4.0858 | 0.2010 | 0.1866 | 0.7145 | 0.8430 | 0.5990 | 0.9777 | 2.0386 | 0.6167 |
| LysoPE (18:1) | 1.3389 | 0.1944 | 0.9476 | 0.4385 | 0.7786 | 1.5054 | 0.6890 | 5.6055 | 1.9578 | 1.2584 | 1.1588 | 0.4399 | 0.8063 | 1.0400 | 0.3028 | 1.1043 | 0.5313 | 0.5843 | 0.3852 | 1.2388 | 0.4621 | 0.2261 | 0.7798 | 1.0819 | 1.0127 | 1.2566 | 0.4553 | 1.1999 |
| LysoPE (20:4) | 1.2881 | 0.3025 | 1.2566 | 0.5371 | 0.9568 | 2.2109 | 0.8023 | 3.5767 | 2.4433 | 1.5837 | 1.0827 | 0.4131 | 0.9969 | 1.2811 | 0.4872 | 0.5139 | 0.4195 | 1.0160 | 0.4516 | 0.6383 | 0.4820 | 0.3150 | 0.7464 | 1.0900 | 0.8686 | 1.5388 | 0.3318 | 1.2097 |
| LysoPE (22:6) | 1.3503 | 0.3082 | 0.2917 | 1.1791 | 0.3039 | 0.5581 | 0.9485 | 2.0469 | 4.6010 | 1.8279 | 1.2682 | 0.1396 | 0.3429 | 2.3766 | 0.4726 | 2.5362 | 0.8970 | 0.6126 | 0.7909 | 1.5257 | 0.1463 | 0.1979 | 0.6674 | 0.7030 | 0.2402 | 0.5910 | 0.3161 | 1.9531 |
| Methionine Sulfoxide | 0.8688 | 1.2548 | 1.0718 | 0.8418 | 0.9150 | 0.7904 | 1.3943 | 0.9237 | 0.8069 | 1.8822 | 1.1938 | 0.8605 | 0.9585 | 1.1677 | 0.6056 | 1.0805 | 1.3681 | 0.5028 | 1.1154 | 0.9847 | 0.6623 | 0.9760 | 0.9860 | 1.1503 | 0.7991 | 0.3172 | 1.0718 | 1.6034 |
| METHYL BETA-D-GALACTOSIDE | 0.2949 | 0.4930 | 0.1677 | 0.5700 | 0.3590 | 0.3783 | 0.2492 | 0.4906 | 0.4474 | 0.0980 | 1.9289 | 0.2478 | 0.1591 | 0.5206 | 0.6024 | 4.9141 | 0.6634 | 2.7229 | 2.9496 | 3.3795 | 0.2568 | 1.1346 | 1.3644 | 0.2579 | 0.6298 | 1.9243 | 0.6973 | 0.4860 |
| METHYL INDOLE-3-ACETATE | 1.4893 | 0.1347 | 0.0150 | 0.6684 | 0.1325 | 0.0365 | 0.5131 | 0.7094 | 0.0568 | 0.1804 | 0.9477 | 0.2833 | 0.2883 | 0.0934 | 0.0877 | 1.3549 | 0.8681 | 1.4910 | 1.8175 | 1.6017 | 1.5161 | 0.8683 | 2.0999 | 5.6304 | 0.0440 | 0.0561 | 2.0066 | 2.6260 |
| Myristoylcarnitine | 1.3744 | 1.0626 | 0.8033 | 0.9993 | 1.7261 | 1.8878 | 0.5500 | 1.4342 | 2.2655 | 1.3973 | 1.5922 | 0.9695 | 0.8144 | 1.4614 | 0.3910 | 0.4513 | 0.3103 | 0.5281 | 0.3656 | 0.6615 | 0.3318 | 0.2394 | 0.8664 | 1.3952 | 0.4965 | 1.9136 | 0.3075 | 1.5680 |
| N1-Methyl-2-pyridone-5-carboxamide | 0.8944 | 1.3202 | 1.7614 | 1.0060 | 0.4983 | 0.9437 | 0.5695 | 0.8243 | 0.6611 | 1.9994 | 1.0620 | 0.7727 | 0.7356 | 1.0557 | 1.0435 | 0.8467 | 0.8838 | 0.8978 | 1.0431 | 0.7191 | 1.2543 | 0.8979 | 1.4983 | 0.6913 | 0.6181 | 1.8330 | 0.8510 | 0.5468 |
| N1-Methyl-4-pyridone-5-carboxamide | 0.9574 | 1.6905 | 1.6840 | 0.8376 | 0.5148 | 0.9925 | 0.4566 | 0.6118 | 0.7546 | 2.7378 | 1.1291 | 0.6460 | 0.6269 | 1.0368 | 0.9304 | 0.6907 | 0.7679 | 0.8813 | 1.4356 | 0.6005 | 1.5673 | 0.8193 | 1.4780 | 0.4459 | 0.4316 | 2.0590 | 0.7716 | 0.3205 |
| N-Acetyl-Arginine | 1.6757 | 0.5180 | 0.8201 | 0.7893 | 0.6568 | 0.4393 | 1.1198 | 1.6536 | 0.7603 | 1.0590 | 0.8796 | 0.7224 | 0.9202 | 1.1947 | 0.8017 | 0.8041 | 0.9796 | 2.2801 | 0.9510 | 1.2474 | 0.9050 | 1.0905 | 0.9971 | 0.5902 | 0.7833 | 1.4529 | 1.1829 | 1.0057 |
| N-ACETYL-DL-GLUTAMIC ACID | 3.0744 | 1.3053 | 1.5669 | 0.3955 | 0.8420 | 0.7339 | 0.6678 | 0.7740 | 0.6949 | 2.2704 | 1.0881 | 2.6454 | 0.4183 | 1.6121 | 0.5284 | 0.4756 | 0.5802 | 1.1662 | 0.5938 | 0.9100 | 0.5408 | 0.5938 | 0.6211 | 0.4129 | 0.4514 | 0.5524 | 0.6846 | 0.5333 |
| N-ACETYL-L-ALANINE | 2.1095 | 1.2453 | 1.1636 | 0.6798 | 1.1346 | 0.9646 | 0.9246 | 0.9395 | 0.7359 | 1.3128 | 1.4306 | 1.3609 | 0.9000 | 1.1774 | 0.7689 | 0.6668 | 0.7712 | 1.1195 | 0.7251 | 1.1157 | 0.7524 | 1.0172 | 0.8129 | 0.7198 | 0.8607 | 1.0888 | 0.8312 | 0.4970 |
| N-ACETYL-L-ASPARTIC ACID_R1 | 0.9159 | 0.8750 | 0.7579 | 0.6130 | 0.6266 | 0.7812 | 1.1403 | 0.7039 | 0.7439 | 1.1056 | 0.7268 | 0.7250 | 0.5278 | 1.0154 | 1.5357 | 0.8400 | 1.8346 | 0.8926 | 1.1689 | 0.7943 | 1.4735 | 0.8989 | 1.2025 | 1.0037 | 1.3302 | 0.8811 | 1.9196 | 1.0386 |
| N-ACETYL-L-ASPARTIC ACID_R2 | 1.1542 | 1.8145 | 0.6433 | 1.2312 | 1.7413 | 1.6227 | 0.5545 | 0.4290 | 1.0202 | 0.5135 | 0.3550 | 1.0440 | 0.3730 | 2.4325 | 4.2503 | 0.4631 | 0.8884 | 0.5682 | 0.4554 | 0.6185 | 2.6213 | 0.3234 | 0.4353 | 0.3789 | 0.4935 | 0.8890 | 0.6732 | 0.5334 |
| N-ACETYLPUTRESCINE | 1.1387 | 0.6768 | 0.8939 | 0.5240 | 0.7635 | 0.6747 | 1.0505 | 1.3458 | 0.7050 | 0.9691 | 0.9926 | 0.8206 | 0.6465 | 0.8603 | 0.9572 | 0.8835 | 1.0696 | 1.2545 | 1.1505 | 1.2444 | 0.9979 | 1.1259 | 1.7827 | 0.6208 | 1.2525 | 0.9145 | 1.0986 | 0.9822 |
| N-ACETYLSEROTONIN | 1.2631 | 1.2838 | 1.2409 | 0.5567 | 1.2421 | 0.9585 | 1.0250 | 0.7392 | 0.5621 | 1.0209 | 1.1397 | 0.8507 | 1.0551 | 0.6123 | 1.4760 | 0.9687 | 0.7788 | 0.4360 | 0.9241 | 0.9417 | 1.8851 | 1.0800 | 1.0954 | 1.1019 | 0.6507 | 0.7016 | 1.4230 | 1.0407 |
| N-ALPHA-ACETYL-L-LYSINE | 1.5582 | 1.0426 | 1.9838 | 1.4219 | 0.4862 | 0.8448 | 0.9892 | 0.7154 | 0.7727 | 1.5837 | 1.4948 | 2.1716 | 0.5314 | 1.4598 | 0.4030 | 0.8112 | 0.3339 | 3.1391 | 0.5254 | 1.1037 | 0.3173 | 0.8517 | 0.4203 | 0.2940 | 0.1774 | 1.3315 | 0.3869 | 0.2566 |
| N-BOC-L-Aspartic Acid_R1 | 1.0381 | 0.9314 | 0.9842 | 1.0332 | 0.9937 | 1.0090 | 1.0889 | 1.0737 | 0.9061 | 0.9267 | 1.0369 | 1.1428 | 0.8766 | 0.9767 | 0.8822 | 0.8812 | 0.8889 | 0.8922 | 0.9261 | 1.0510 | 1.1509 | 1.0010 | 1.0400 | 1.0540 | 0.9452 | 0.9264 | 1.1123 | 1.0480 |
| N-BOC-L-Aspartic Acid_R2 | 1.1180 | 0.9847 | 0.9398 | 1.0312 | 0.9948 | 0.8654 | 1.0149 | 1.0030 | 0.9775 | 0.9070 | 1.0272 | 1.0719 | 0.9429 | 1.0847 | 0.9839 | 0.9653 | 0.8745 | 0.9139 | 0.9282 | 1.0206 | 0.9931 | 1.0827 | 1.0396 | 1.0916 | 0.9408 | 0.9599 | 1.0798 | 1.0517 |
| N-BOC-L-tert-Leucine | 1.0841 | 0.9534 | 1.0213 | 0.8850 | 1.0746 | 0.9297 | 1.0034 | 0.9411 | 0.9263 | 0.8910 | 0.9980 | 1.0330 | 0.9361 | 0.8854 | 0.9396 | 1.0635 | 0.9578 | 0.8737 | 0.9495 | 1.2228 | 1.2560 | 0.9694 | 1.0452 | 1.0931 | 0.9538 | 0.9866 | 1.0225 | 1.0259 |
| N-BOC-L-Tryptophan_R1 | 1.2983 | 0.9947 | 0.7891 | 0.6898 | 1.5022 | 0.6001 | 1.0991 | 0.8759 | 0.9959 | 0.9705 | 0.6192 | 1.3368 | 0.7172 | 0.5949 | 1.3182 | 1.0014 | 0.9412 | 0.5702 | 0.9503 | 0.8771 | 1.3126 | 0.6030 | 1.1202 | 1.6091 | 0.7943 | 1.1209 | 0.9319 | 1.3089 |
| N-BOC-L-Tryptophan_R2 | 1.2605 | 0.9948 | 0.6935 | 0.6641 | 1.6264 | 0.4945 | 1.0279 | 0.7468 | 0.8916 | 0.9168 | 0.5745 | 1.4796 | 0.6741 | 0.5365 | 1.4052 | 1.0140 | 0.9791 | 0.5323 | 0.9308 | 0.8000 | 1.2972 | 0.5957 | 1.1981 | 1.7304 | 0.8401 | 1.1250 | 0.8877 | 1.4051 |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 1.6719 | 0.5214 | 0.5685 | 0.6963 | 0.4945 | 0.8376 | 1.0126 | 0.5820 | 0.7367 | 1.1034 | 0.4373 | 0.9840 | 0.7434 | 0.8275 | 1.0428 | 1.8334 | 1.3019 | 1.3052 | 1.2110 | 1.8401 | 0.7973 | 0.8141 | 1.4263 | 0.8444 | 0.9554 | 1.1168 | 1.1337 | 0.7502 |
| N-formyl-L-methionine | 0.7386 | 1.1339 | 1.3138 | 0.6898 | 0.5029 | 0.6288 | 0.4729 | 0.6541 | 0.4655 | 0.9980 | 1.5562 | 0.9703 | 0.4389 | 1.2224 | 0.6219 | 0.5025 | 0.3812 | 2.8063 | 0.2829 | 1.3806 | 0.5481 | 1.6755 | 0.8747 | 0.7196 | 1.7210 | 4.0674 | 0.4465 | 0.3406 |
| NICOTINAMIDE;NIACINAMIDE | 0.3040 | 0.9759 | 0.3306 | 1.7289 | 0.2225 | 0.4969 | 0.5128 | 0.6675 | 0.2165 | 1.7786 | 0.6494 | 0.6346 | 0.1089 | 1.3557 | 1.2173 | 0.2405 | 0.9766 | 2.1020 | 1.9154 | 0.3809 | 4.2413 | 0.3535 | 1.1451 | 0.6351 | 0.1088 | 0.4070 | 3.9801 | 0.5338 |
| N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;L-GLUTAMIC ACID;O-Acetyl-L-Serine | 1.4891 | 1.6418 | 1.0347 | 0.5307 | 2.0771 | 1.3592 | 1.2142 | 0.8018 | 1.3822 | 1.9587 | 1.5425 | 1.0271 | 0.5918 | 2.7414 | 0.5002 | 0.4353 | 0.5956 | 0.8209 | 0.9927 | 0.4276 | 0.5536 | 0.9889 | 0.5403 | 0.2755 | 0.3746 | 1.1645 | 0.6491 | 0.7216 |
| N-Methylnicotinamide | 0.2496 | 1.0036 | 0.9541 | 0.4907 | 0.0586 | 1.0742 | 0.5448 | 1.3287 | 0.3316 | 3.6114 | 1.3287 | 0.2834 | 0.4490 | 0.7138 | 0.9894 | 1.3499 | 1.4418 | 1.3569 | 1.6820 | 0.5598 | 1.1873 | 0.9329 | 1.8623 | 1.1591 | 0.7491 | 0.3626 | 1.1520 | 0.6471 |
| N(PAI)-METHYL-L-HISTIDINE | 0.6773 | 0.6034 | 0.4994 | 0.9040 | 0.9973 | 1.0619 | 0.9327 | 0.3150 | 0.5539 | 1.3560 | 0.4456 | 1.4027 | 0.8825 | 1.9300 | 1.0045 | 1.4063 | 1.1480 | 0.9542 | 1.3991 | 1.2269 | 0.8323 | 0.7318 | 1.2879 | 0.8466 | 0.6608 | 1.3847 | 1.2412 | 0.6235 |
| O-ACETYL-L-SERINE;N-ACETYL-DL-SERINE | 2.2153 | 0.6307 | 1.2770 | 0.4805 | 0.8358 | 0.5929 | 1.6388 | 0.9265 | 0.4339 | 1.2846 | 0.5993 | 0.8475 | 0.6564 | 0.8393 | 0.8583 | 0.6577 | 1.4662 | 0.8664 | 1.7590 | 1.0091 | 0.6589 | 0.6319 | 0.7819 | 0.4615 | 0.7715 | 0.8740 | 3.1329 | 1.1828 |
| Octanoylcarnitine | 1.2808 | 2.1787 | 0.4088 | 0.6790 | 4.0886 | 0.8918 | 0.5123 | 0.3558 | 0.5200 | 0.9269 | 1.1184 | 3.3186 | 0.8769 | 0.7868 | 0.7167 | 0.2595 | 0.3029 | 0.4964 | 1.2612 | 0.7250 | 0.4361 | 0.5189 | 0.4267 | 0.4466 | 0.3627 | 1.0717 | 0.9143 | 0.3726 |
| ORNITHINE_R1 | 1.2191 | 1.3288 | 0.7567 | 0.4431 | 0.4233 | 0.6590 | 1.4899 | 1.2569 | 0.5781 | 1.6396 | 0.8101 | 1.4961 | 0.4154 | 1.4010 | 0.4274 | 0.8721 | 1.0909 | 0.9876 | 1.2183 | 1.1751 | 0.7603 | 1.1589 | 0.8555 | 0.7386 | 0.4353 | 2.1512 | 0.9809 | 0.8791 |
| ORNITHINE_R2 | 1.4227 | 1.5349 | 0.8310 | 0.6402 | 0.5710 | 0.9402 | 1.3169 | 1.6818 | 0.9027 | 1.0872 | 1.0130 | 0.6081 | 0.8907 | 1.6597 | 0.6770 | 0.1322 | 0.8067 | 1.4992 | 1.0394 | 1.1753 | 0.7353 | 1.6883 | 1.1594 | 0.9687 | 0.6521 | 1.1572 | 0.7100 | 0.7315 |
| PANTOLACTONE;2-HYDROXYPHENYLACETIC ACID | 1.0378 | 1.3679 | 1.0174 | 0.6025 | 1.2353 | 0.9549 | 0.7660 | 1.2680 | 0.4980 | 1.2626 | 1.1861 | 1.1015 | 1.0078 | 0.8116 | 0.9753 | 0.9496 | 0.7745 | 0.3847 | 0.7088 | 1.4023 | 1.1283 | 0.8130 | 1.2447 | 1.1143 | 0.9805 | 1.1715 | 0.8669 | 1.0219 |
| Pantothenic Acid | 0.3373 | 0.3217 | 0.6947 | 0.5319 | 0.4068 | 0.3841 | 0.8062 | 2.4233 | 0.4514 | 0.7692 | 0.6746 | 0.6214 | 0.3915 | 0.4758 | 0.6626 | 0.2679 | 1.3489 | 4.4815 | 0.8442 | 0.7067 | 2.2201 | 2.3610 | 0.9353 | 0.2974 | 0.3532 | 1.7136 | 1.7328 | 1.2282 |
| Phenylalanine | 0.8714 | 1.3686 | 0.8636 | 0.8165 | 0.7877 | 0.9866 | 1.1226 | 1.0180 | 1.0023 | 1.0860 | 1.0284 | 1.1226 | 0.7275 | 1.0703 | 0.7223 | 0.8557 | 0.9839 | 1.1200 | 0.9552 | 1.0625 | 0.7615 | 1.2038 | 0.8335 | 1.1514 | 0.8819 | 1.0441 | 0.9133 | 1.6827 |
| PHOSPHOCHOLINE | 0.5553 | 0.5967 | 0.7814 | 1.5290 | 0.3409 | 0.2243 | 1.7668 | 0.4563 | 0.5208 | 0.4494 | 0.2522 | 1.0410 | 0.6470 | 0.6190 | 1.3843 | 0.5221 | 1.7799 | 1.8349 | 1.8797 | 0.5892 | 2.0799 | 0.5256 | 0.6793 | 1.8589 | 0.7160 | 0.2030 | 2.5785 | 1.8683 |
| PIPECOLATE/L-PIPECOLIC ACID | 0.8404 | 0.8049 | 0.9313 | 0.7273 | 0.6909 | 0.5575 | 0.9635 | 1.5192 | 1.5606 | 1.3125 | 1.1265 | 0.9893 | 0.9298 | 0.9478 | 0.4857 | 1.5709 | 1.0748 | 1.6846 | 1.1058 | 1.4986 | 0.9971 | 1.0748 | 0.8772 | 0.7861 | 0.6603 | 0.7909 | 0.8795 | 0.7458 |
| Proprionylcarnitine | 1.5416 | 0.9465 | 0.4991 | 1.0755 | 0.9178 | 2.5096 | 1.0397 | 1.3122 | 0.7601 | 2.3949 | 1.4627 | 0.9749 | 0.4469 | 1.9790 | 0.3648 | 0.2366 | 0.6084 | 1.9718 | 0.5445 | 1.3050 | 0.3187 | 0.6365 | 0.5880 | 0.2817 | 0.4295 | 1.4484 | 0.9393 | 0.9035 |
| PUTRESCINE | 1.0566 | 1.5305 | 1.1103 | 0.5828 | 0.9536 | 0.5970 | 0.8823 | 0.9402 | 0.7770 | 1.0352 | 1.0711 | 1.5377 | 0.8638 | 0.8530 | 1.2888 | 0.7141 | 1.0598 | 0.9875 | 0.8905 | 1.1498 | 0.9749 | 1.0714 | 1.3937 | 0.5600 | 0.9260 | 1.5263 | 0.3754 | 0.3593 |
| PYRIDOXAL | 0.4290 | 0.5886 | 0.7862 | 0.5276 | 0.4746 | 0.2375 | 0.4543 | 0.6763 | 1.0247 | 2.1149 | 1.6563 | 0.5263 | 0.8094 | 1.6879 | 1.3579 | 1.1329 | 1.1200 | 0.7408 | 1.3376 | 1.3125 | 1.1978 | 1.0927 | 1.3660 | 0.7419 | 1.1836 | 1.2111 | 0.9660 | 1.3532 |
| PYRIDOXAMINE | 0.7042 | 1.1995 | 1.1987 | 0.9110 | 0.6789 | 0.9984 | 1.1848 | 0.9573 | 0.8024 | 1.6383 | 1.1977 | 1.7979 | 1.0209 | 1.3236 | 0.5123 | 1.1141 | 0.7821 | 0.9812 | 1.1760 | 1.1107 | 0.8532 | 0.8461 | 0.7729 | 0.8706 | 0.3875 | 0.8742 | 0.7038 | 0.8307 |
| QUINATE | 2.5235 | 0.2286 | 0.2128 | NA | 0.2087 | 0.2420 | 0.2875 | 5.3269 | 0.3788 | 1.1057 | 1.0075 | 0.2384 | 0.1770 | 0.2760 | 0.1196 | 2.4111 | 0.1362 | 3.1311 | 0.2390 | 6.6305 | NA | 0.4974 | 0.4319 | 0.0932 | 0.3971 | 0.4145 | 0.4168 | 0.1978 |
| RIBOFLAVIN | 0.8073 | 1.4777 | 0.9046 | 0.5903 | 0.8057 | 0.5867 | 0.9945 | 1.0811 | 0.8755 | 1.2492 | 1.1671 | 1.0973 | 0.8032 | 1.2215 | 0.8744 | 1.0367 | 1.0078 | 1.1692 | 0.7854 | 1.0679 | 0.8673 | 1.0076 | 1.1135 | 0.3713 | 1.0037 | 1.4606 | 1.4997 | 0.8624 |
| (R)-MALATE | 1.3400 | 1.7561 | 0.5828 | 0.5045 | 1.5804 | 0.8431 | 0.8263 | 0.9631 | 0.9745 | 1.6425 | 1.1557 | 0.6933 | 0.5891 | 1.0386 | 1.7223 | 0.5880 | 0.7129 | 0.7771 | 0.7357 | 0.9104 | 1.4220 | 0.9321 | 0.9305 | 1.0117 | 0.8320 | 1.2388 | 1.2195 | 0.8533 |
| SEROTONIN | 0.6685 | 1.8516 | 0.6154 | 0.2371 | 1.8075 | 0.7652 | 1.1187 | 1.0672 | 0.9292 | 1.4083 | 1.5430 | 1.0542 | 0.1413 | 1.1809 | 1.4099 | 1.1889 | 0.9528 | 0.5563 | 0.7223 | 1.2178 | 0.5549 | 1.4061 | 1.0747 | 1.1282 | 0.8522 | 1.3343 | 0.7652 | 0.3197 |
| SEROTONIN-NH3 | 0.6694 | 1.8148 | 0.6061 | 0.2418 | 1.7766 | 0.7559 | 1.1367 | 1.0507 | 0.9143 | 1.3946 | 1.4996 | 1.0459 | 0.1464 | 1.1749 | 1.4232 | 1.2226 | 0.9496 | 0.5502 | 0.7095 | 1.2608 | 0.5810 | 1.3754 | 1.0793 | 1.1940 | 0.8546 | 1.3181 | 0.7945 | 0.3343 |
| Source Fragment TRP | 0.8450 | 0.5293 | 0.8258 | 1.4212 | 0.4873 | 0.8434 | 1.0483 | 1.1969 | 1.3661 | 0.6315 | 0.8912 | 0.8298 | 0.6470 | 1.3285 | 0.7439 | 0.9357 | 1.5082 | 2.1359 | 1.0943 | 1.1025 | 0.7433 | 0.9506 | 0.8401 | 0.9645 | 1.0074 | 1.3303 | 0.8369 | 1.2454 |
| SPERMIDINE | 0.8100 | 0.8320 | 1.2549 | 0.4556 | 1.5742 | 0.7356 | 0.8547 | 1.2862 | 0.4446 | 2.3571 | 0.6710 | 1.0733 | 0.6592 | 2.0203 | 0.7272 | 0.5357 | 0.7113 | 2.0656 | 0.6239 | 0.8617 | 0.3478 | 1.3894 | 0.7693 | 0.3499 | 0.6374 | 2.4158 | 0.8233 | 0.8705 |
| SUCCINATE | 1.0043 | 0.7745 | 0.7224 | 0.6337 | 1.4318 | 1.0536 | 1.0264 | 1.0897 | 0.8857 | 1.1923 | 0.9870 | 0.9050 | 0.9821 | 0.9545 | 1.3122 | 1.1175 | 0.9989 | 1.1574 | 0.8056 | 1.2603 | 1.2126 | 0.9106 | 0.9579 | 0.6371 | 0.7884 | 1.0595 | 0.8716 | 1.4045 |
| TAURINE_R1 | 0.7541 | 1.6575 | 1.0980 | 0.6034 | 1.4569 | 1.4358 | 0.9179 | 0.5863 | 0.6873 | 2.6393 | 1.2774 | 1.7591 | 0.5793 | 1.4675 | 0.5514 | 0.6688 | 0.7202 | 1.2563 | 0.5049 | 0.8795 | 0.5497 | 0.9009 | 0.6443 | 0.4061 | 0.5205 | 1.4358 | 0.9389 | 0.6995 |
| TAURINE_R2 | 0.0638 | 2.0209 | 1.3348 | 0.7323 | 1.7589 | 1.7090 | 1.1074 | 0.6970 | 0.8479 | 3.2808 | 1.5344 | 1.6250 | 0.6856 | 1.7589 | 0.0350 | 0.0287 | 0.0335 | 1.5219 | 0.6085 | 1.0622 | 0.6873 | 1.0931 | 0.4650 | 0.0388 | 0.6067 | 1.6965 | 0.0369 | 0.8394 |
| Taurochenodesoxycholic acid (T-CDCA);Taurodeoxycholic Acid (T-DCA)_R1 | 0.0324 | 2.2336 | NA | 0.0239 | 0.1566 | 0.0603 | 0.0741 | 0.1961 | 0.0949 | 0.5020 | 0.3521 | 0.1021 | 0.2938 | 0.0089 | 0.2673 | 0.1225 | 0.0669 | 0.1937 | 0.2972 | 0.3509 | 0.0281 | 0.0912 | 0.4389 | 0.1069 | 0.0258 | 5.1844 | 2.6809 | 14.4733 |
| Taurochenodesoxycholic acid (T-CDCA);Taurodeoxycholic Acid (T-DCA)_R2 | 0.2377 | 1.3905 | 0.0448 | 0.0618 | 0.0951 | 0.4759 | 0.6607 | 0.1828 | 0.3189 | 0.3295 | 0.2305 | 0.0926 | 0.1929 | 0.0702 | 0.3499 | 0.0884 | 0.5511 | 0.1401 | 0.1902 | 0.2010 | 0.2723 | 0.0667 | 0.4853 | 0.1251 | 0.1853 | 4.3597 | 3.1381 | 14.8846 |
| Taurocholic acid (TCA)_R1 | 0.3668 | 3.7211 | 0.1839 | 0.1061 | 0.2831 | 1.6327 | 1.3417 | 0.2310 | 0.4511 | 0.3821 | 0.8602 | 0.1715 | 0.3648 | 0.2564 | 0.2625 | 0.1186 | 0.6263 | 0.2072 | 0.0458 | 0.1585 | 0.1684 | 0.0913 | 0.3980 | 0.1082 | 0.3769 | 5.2008 | 2.8071 | 8.5084 |
| Taurocholic acid (TCA)_R2 | 0.3116 | 3.3669 | 0.1539 | 0.0855 | 0.2221 | 1.5185 | 1.1448 | 0.1916 | 0.3482 | 0.3109 | 0.7154 | 0.1388 | 0.2735 | 0.2032 | 0.1976 | 0.0968 | 0.5159 | 0.1682 | 0.0317 | 0.1608 | 0.1640 | 0.0703 | 0.3208 | 0.0868 | 0.2859 | 5.1632 | 2.6630 | 10.6302 |
| Taurocholic acid (TCA)_R3 | 0.5655 | 3.5775 | 0.3082 | 0.1830 | 0.4461 | 2.2686 | 1.9379 | 0.4023 | 0.6915 | 0.6133 | 1.2357 | 0.2750 | 0.5696 | 0.4100 | 0.3947 | 0.1873 | 0.9775 | 0.3404 | 0.0692 | 0.3106 | 0.3386 | 0.1681 | 0.6310 | 0.1576 | 0.5676 | 3.9968 | 3.2681 | 4.2024 |
| Taurocholic acid (TCA)_R4 | 0.3068 | 3.4030 | 0.1448 | 0.0956 | 0.2291 | 1.5192 | 1.1322 | 0.1851 | 0.3470 | 0.3038 | 0.7206 | 0.1419 | 0.2658 | 0.1993 | 0.2044 | 0.0943 | 0.5101 | 0.1680 | 0.0377 | 0.1552 | 0.1609 | 0.0758 | 0.3289 | 0.0887 | 0.2815 | 5.1893 | 2.6579 | 10.5823 |
| Taurocholic acid (TCA);Taurocholic acid | 0.3294 | 3.4056 | 0.1712 | 0.0894 | 0.2352 | 1.5903 | 1.1489 | 0.2053 | 0.3659 | 0.3271 | 0.7114 | 0.1634 | 0.2890 | 0.2028 | 0.2092 | 0.0991 | 0.5541 | 0.1812 | 0.0368 | 0.1665 | 0.1688 | 0.0794 | 0.3372 | 0.0862 | 0.3008 | 5.0984 | 2.7033 | 10.2435 |
| Taurodeoxycholic Acid (T-DCA);Taurochenodesoxycholic acid (T-CDCA)_R1 | 0.2651 | 1.4187 | 0.0365 | 0.0416 | 0.1131 | 0.4835 | 0.6461 | 0.2034 | 0.3735 | 0.3166 | 0.2830 | 0.0722 | 0.2206 | 0.1014 | 0.3771 | 0.1183 | 0.6140 | 0.1585 | 0.2235 | 0.2044 | 0.2387 | 0.0512 | 0.5532 | 0.1527 | 0.1933 | 4.6176 | 3.0354 | 14.2614 |
| Taurodeoxycholic Acid (T-DCA);Taurochenodesoxycholic acid (T-CDCA)_R2 | 0.0797 | 2.3528 | NA | 0.0496 | 0.1993 | 0.2426 | 0.3869 | 0.2691 | 0.1685 | 0.6329 | 0.4179 | 0.1613 | 0.3292 | 0.0499 | 0.3174 | 0.1769 | 0.4114 | 0.2022 | 0.3713 | 0.4713 | 0.2065 | 0.1355 | 0.5410 | 0.1776 | 0.0640 | 5.1105 | 2.8484 | 11.9240 |
| Tauroursodeoxycholic acid (T-UDCA)_R1 | 0.3995 | 2.1078 | 0.2267 | 0.3452 | 0.6252 | 1.1908 | 3.2768 | 0.2383 | 0.1083 | 0.3018 | 0.2654 | 0.7170 | 0.2717 | 0.0946 | 0.6344 | 0.2457 | 1.6506 | 0.6137 | 1.3010 | 0.9954 | 1.8089 | 0.2426 | 1.1708 | 0.4807 | 0.8373 | 1.4038 | 2.4063 | 4.1519 |
| Tauroursodeoxycholic acid (T-UDCA)_R2 | 0.1286 | 2.0155 | NA | 0.1178 | 0.7300 | 0.7496 | 1.8120 | 0.1402 | NA | 0.4777 | 0.1518 | 0.5464 | 0.1108 | 0.1294 | 1.0160 | 0.4378 | 0.8483 | 0.9159 | 1.5973 | 1.4800 | 1.0587 | 0.3424 | 0.8119 | 0.8012 | 0.6853 | 1.6723 | 1.9503 | 5.9146 |
| Tauroursodeoxycholic acid (T-UDCA)_R3 | 0.6044 | 3.1887 | 0.3430 | 0.7121 | 0.3074 | 1.4005 | 0.1425 | 0.3606 | 0.1638 | 0.4070 | 0.4016 | 1.0737 | 0.4110 | 0.1432 | 0.4760 | 0.3622 | 1.8799 | 0.8175 | 1.0897 | 0.6201 | 0.3876 | 0.1441 | 1.3917 | 0.3338 | 0.6849 | 1.9362 | 3.6403 | 4.1112 |
| THIAMINE | 0.5882 | 1.2534 | 0.9696 | 1.5685 | 0.6114 | 0.5552 | 0.3481 | 2.5065 | 0.7959 | 0.7185 | 2.5797 | 0.3621 | 0.5583 | 3.3334 | 0.3038 | 0.7017 | 0.7747 | 1.7489 | 0.9942 | 0.8220 | 0.3156 | 1.0758 | 0.9777 | 0.7425 | 1.7899 | 0.4366 | 0.6694 | 0.5584 |
| THIOPURINE S-METHYLETHER | 0.7930 | 0.3846 | 2.0380 | 2.4444 | 0.7496 | 0.8414 | 0.3346 | NA | 0.7391 | 0.7673 | 0.4072 | 0.3717 | 1.2652 | NA | 1.0761 | 0.8837 | NA | 0.4858 | 0.5410 | 1.4627 | 0.9201 | 2.3353 | 2.7437 | 0.5251 | 0.2490 | 0.2950 | NA | 0.2308 |
| THREONINE/HOMOSERINE | 0.8156 | 1.6803 | 0.6826 | 0.5496 | 1.2007 | 1.0764 | 1.9253 | 1.3775 | 0.6616 | 2.1004 | 1.7853 | 1.2147 | 0.7491 | 1.0817 | 0.3868 | 1.0939 | 0.7999 | 1.2917 | 1.1359 | 0.7299 | 0.6931 | 0.8716 | 0.7710 | 0.8401 | 0.5058 | 0.7264 | 0.7876 | 0.4796 |
| Triethanolamine | 0.7425 | 0.6557 | 7.5542 | 0.4219 | 0.6908 | 7.8425 | 0.2136 | 0.2773 | 1.1076 | 0.4042 | 0.3838 | 0.6350 | 0.2988 | 0.9170 | 0.3141 | 0.5663 | 1.2084 | 0.3640 | 0.1376 | 0.2288 | 0.5280 | 0.3031 | 0.5789 | 0.4729 | 0.2595 | 0.6252 | 0.7199 | 0.3342 |
| Tryptophan | 0.8248 | 0.5085 | 0.8787 | 1.4528 | 0.5202 | 0.8857 | 1.0451 | 1.1529 | 1.4528 | 0.6420 | 0.8459 | 0.8037 | 0.6444 | 1.3005 | 0.7850 | 0.8881 | 1.4950 | 2.2706 | 1.1200 | 1.0498 | 0.6983 | 0.9443 | 0.8846 | 0.9443 | 1.0638 | 1.2911 | 0.7428 | 1.1763 |
| Tryptophan-2,3,3-D3 | 1.0157 | 1.0606 | 0.9820 | 0.8418 | 1.1279 | 1.0101 | 0.9764 | 0.9764 | 0.9820 | 1.1279 | 0.9764 | 1.0578 | 0.9764 | 0.8754 | 1.0494 | 0.9596 | 0.9259 | 0.8418 | 1.0943 | 0.9989 | 1.0943 | 1.0213 | 1.0410 | 0.9820 | 0.9596 | 0.9371 | 1.0494 | 0.9596 |
| URACIL;Uracil | 1.0680 | 1.7655 | 1.6375 | 0.6021 | 2.3100 | 0.9199 | 0.6482 | 1.0523 | 0.9730 | 1.3066 | 2.0005 | 1.1929 | 0.6604 | 1.6919 | 0.5620 | 0.6346 | 0.3559 | 1.0801 | 0.4555 | 0.9313 | 0.6550 | 1.0224 | 0.6877 | 0.6850 | 0.4798 | 1.3724 | 0.6119 | 0.7570 |
| URATE | 0.8960 | 1.1307 | 0.5640 | 0.4352 | 1.1458 | 0.7464 | 0.9382 | 0.5781 | 0.4783 | 0.7185 | 0.7345 | 1.5079 | 0.7298 | 0.6698 | 1.0292 | 0.7537 | 0.7566 | 0.5131 | 0.7764 | 1.2010 | 1.3680 | 1.2503 | 1.0724 | 0.6434 | 0.8381 | 2.7868 | 0.7888 | 2.3687 |
| URIDINE | 0.8906 | 0.4761 | 1.2234 | 0.7544 | 1.3408 | 3.0356 | 0.4045 | 1.2583 | 1.0651 | 1.6359 | 1.0072 | 1.2791 | 0.5971 | 5.9326 | 0.1238 | 0.7105 | 0.4950 | 0.7196 | 0.3333 | 0.3490 | 0.2322 | 1.4679 | 0.1296 | 0.6779 | 0.7080 | 0.8246 | 0.1373 | 0.7818 |
| URIDINE-5-MONOPHOSPHATE | 0.7657 | NA | 0.1448 | 0.1342 | 0.1686 | 0.1804 | 1.6225 | 0.6222 | 0.1788 | 6.1616 | 0.2512 | 0.8411 | 0.0536 | 0.3215 | 0.6843 | 0.5195 | 0.6961 | 2.0447 | 0.7511 | 1.4709 | 0.6046 | 0.7371 | 1.2426 | 0.4232 | 0.5138 | 2.9671 | 1.7298 | 1.0850 |
| UROCANATE | 1.6094 | 1.2615 | 0.8131 | 0.5136 | 0.4483 | 0.3649 | 0.9027 | 0.6376 | 0.6812 | 1.1055 | 0.5602 | 0.8598 | 0.6101 | 1.0441 | 0.9728 | 1.6017 | 1.7136 | 0.9194 | 0.7507 | 1.0076 | 0.9997 | 0.6946 | 1.3092 | 0.9388 | 0.7651 | 2.2333 | 1.4414 | 1.0712 |
| Xanthurenic Acid | 2.6265 | 1.4205 | 0.3429 | 0.2747 | 0.4383 | 0.3376 | 0.9931 | 0.3284 | 0.7759 | 3.2105 | 0.9315 | 0.8613 | 0.9666 | 0.2826 | 0.4660 | 0.7951 | 0.1778 | 0.2767 | 0.3731 | 4.9236 | 0.3977 | 0.3525 | 1.6071 | 0.8878 | 0.5245 | 1.7712 | 0.9882 | 0.2000 |
Factors:
| F1 | Diabetic or Healthy:Diabetic | Sex:MI | Fasted or Fed:Fed | Breed:Labrador retriever |
| F2 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Bichon Frise |
| F3 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Maltese |
| F4 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Mix (Jack Russell Terrier) |
| F5 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Pomeranian |
| F6 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Silky Terrier |
| F7 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Cavalier King Charles Spaniel |
| F8 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Miniature Australian Shepherd |
| F9 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Mix (Pug/beagle) |
| F10 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Rottweiler |
| F11 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fasted | Breed:Miniature Pinscher |
| F12 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fasted | Breed:Mix |
| F13 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fasted | Breed:Rottweiler |
| F14 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fed | Breed:Miniature Schnauzer |
| F15 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fasted | Breed:Maltese mix |
| F16 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fasted | Breed:Rottweiler |
| F17 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Labrador retriever |
| F18 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Miniature Australian Shepherd |
| F19 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Mix (Beagle) |
| F20 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Rottweiler |
| F21 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Bichon/Poodle |
| F22 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Miniature Pinscher |
| F23 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Mix |
| F24 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Mix (Jack Russell Terrier) |
| F25 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Pomeranian |
| F26 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Silky Terrier |
| F27 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fed | Breed:Cavalier King Charles Spaniel |
| F28 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fed | Breed:Miniature Schnauzer |