Data for (Study ST002106)
(Analysis AN003445)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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-18:2-2-18:2-monogalactosyldiacylglycerol | 0.9509 | 1.0120 | 1.0424 | 1.0362 | 1.5566 | 0.9083 | 1.1005 | 0.9642 | 0.8675 | 1.0145 | 1.1558 | 0.8329 | 0.8620 | 0.9681 | 0.7281 |
| 15(R)-hydroperoxy-EPE | 0.5555 | 0.5982 | 0.7229 | 1.0192 | 0.8855 | 0.7210 | 0.5664 | 0.8436 | 0.5697 | 0.9479 | 1.1175 | 1.1591 | 1.5480 | 1.9588 | 1.7866 |
| 1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol | 1.6980 | 1.7024 | 4.1739 | 0.3609 | 0.3810 | 0.3612 | 0.6820 | 0.5120 | 0.5341 | 0.6011 | 0.9943 | 0.6329 | 0.7705 | 0.9669 | 0.6289 |
| 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) | 1.3499 | 0.7829 | 1.2612 | 1.0143 | 1.0198 | 0.7233 | 1.5230 | 1.3128 | 1.3491 | 1.3359 | 1.2586 | 1.0306 | 0.1804 | 0.4834 | 0.3748 |
| 1-O-Cinnamoyl-beta-D-glucose | 1.1941 | 1.1788 | 0.7886 | 0.8100 | 1.6226 | 1.4259 | 0.9706 | 0.9902 | 0.7639 | 0.9531 | 1.0184 | 0.7520 | 0.5667 | 0.9942 | 0.9711 |
| 1-(octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) | 1.4289 | 1.1212 | 1.1485 | 0.9269 | 1.0915 | 0.6609 | 1.7087 | 1.4015 | 1.4036 | 1.0783 | 1.1835 | 1.0324 | 0.2093 | 0.3413 | 0.2636 |
| (1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid | 1.3962 | 1.4952 | 1.7524 | NA | NA | NA | NA | NA | NA | 0.1952 | 0.2898 | 0.2415 | 1.0541 | 1.5686 | 1.0070 |
| 1-Stearoylglycerophosphoglycerol | 1.2384 | 1.1852 | 1.3022 | 0.9322 | 0.7831 | 0.7121 | 1.5831 | 1.2683 | 1.2475 | 1.0383 | 1.3796 | 1.1123 | 0.2995 | 0.4747 | 0.4435 |
| 2,3,4,5-Tetrahydropiperidine-2-carboxylate | 1.0036 | 1.6077 | 0.8031 | 0.2425 | 0.4145 | NA | 0.4108 | 0.4118 | NA | 2.2293 | 1.5915 | 0.5495 | 1.3662 | 1.3352 | 1.0346 |
| 2,3,4,5-Tetrahydroxypentanoic acid | 0.8362 | 0.6430 | 1.8351 | 2.0865 | 0.7258 | 0.5643 | 0.5643 | 0.6994 | 0.4995 | 1.1985 | 0.8381 | 0.7311 | 1.1099 | 1.3418 | 1.3265 |
| 2,3,4-trihydroxy-butanoic acid | 0.5847 | 0.5530 | 0.7844 | 1.7359 | 0.9230 | 0.6354 | 0.3501 | 0.6181 | 0.4087 | 1.0569 | 0.9122 | 1.1494 | 1.6227 | 1.8120 | 1.8535 |
| 2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid | 0.8796 | 0.8600 | 0.9345 | 1.1524 | 0.9961 | 0.9169 | 1.0168 | 1.2631 | 0.8162 | 1.2994 | 1.1570 | 1.0040 | 0.8285 | 0.9233 | 0.9522 |
| 2-(4-sulfophenyl)decane | 0.9714 | 1.0100 | 1.1989 | 1.1624 | 1.6188 | 0.8707 | 0.4613 | 1.8768 | 0.6959 | 0.9304 | 0.9911 | 1.0682 | 0.5038 | 0.9756 | 0.6645 |
| 2,6-Dioxo-6-phenylhexanoate | 1.2936 | 1.2042 | 1.4671 | 0.8082 | 0.8193 | 0.7459 | 0.9244 | 1.0216 | 1.0770 | 0.8899 | 1.1698 | 1.1122 | 0.6851 | 0.9756 | 0.8060 |
| 2,7-Anhydro-alpha-N-acetylneuraminic acid | 0.9747 | 1.0526 | 1.0537 | 1.3682 | 0.8546 | 0.8422 | 0.9800 | 1.0408 | 0.9673 | 1.0621 | 1.1660 | 1.0878 | 0.8244 | 0.9052 | 0.8205 |
| 2-Aceto-2-hydroxybutanoic acid | 1.5985 | 1.1441 | 0.7041 | 0.9926 | 1.9178 | 1.5231 | 0.9767 | 0.2185 | 0.5789 | 0.8890 | 0.9280 | 0.7404 | 0.7075 | 0.8824 | 1.1985 |
| 2-Amino-2-deoxy-D-gluconate | 0.0123 | NA | NA | 2.6117 | 0.9201 | 0.6967 | NA | NA | NA | NA | NA | NA | 0.8033 | 0.8699 | 1.0860 |
| 2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid | 0.8623 | 1.4523 | 0.6061 | 1.3587 | 0.8543 | 0.9594 | 0.8579 | 0.8827 | 0.9907 | 1.0988 | 1.2223 | 1.1801 | 0.8481 | 0.8741 | 0.9523 |
| 2-C-methyl-D-erythritol-2,4-cyclodiphosphate | 1.0883 | 0.9562 | 1.4400 | 0.5551 | 0.6454 | 0.4568 | 1.0911 | 1.0276 | 0.8905 | 1.0148 | 1.4552 | 0.7570 | 1.2302 | 1.2802 | 1.1115 |
| 2-C-Methyl-D-erythritol 4-phosphate | 0.2560 | 0.2858 | 1.4982 | 0.8304 | 0.7461 | 0.4584 | 0.5025 | 0.6022 | 0.4103 | 0.4410 | 1.0755 | 0.8015 | 1.8241 | 2.7609 | 2.5071 |
| 2-Dodecylbenzenesulfonic acid | 1.1092 | 0.9259 | 1.0366 | 1.1240 | 1.4549 | 0.8769 | 0.4026 | 1.7375 | 0.7395 | 1.0058 | 1.1011 | 1.0044 | 0.5937 | 1.0892 | 0.7985 |
| 2-Exo-hydroxy-1,8-cineole | 0.8440 | 0.9946 | 1.2982 | 0.4912 | 1.0171 | 1.3638 | 1.1237 | 0.9854 | 1.4514 | 0.7988 | 0.8216 | 1.4427 | 0.6581 | 0.9607 | 0.7488 |
| 2-Hydroxy-3-(phosphonatooxy)propanoate | 0.4157 | 0.4029 | 0.8075 | 0.6958 | 0.7018 | 0.5505 | 0.5917 | 0.5937 | 0.4381 | 0.5212 | 0.5475 | 0.4457 | 2.9454 | 3.0402 | 2.3023 |
| 2-hydroxy-3-(sulfooxy)butanedioic acid | NA | NA | 0.3238 | 0.7147 | 0.4146 | NA | 0.2977 | NA | NA | 1.0304 | 0.3681 | NA | 2.7846 | 1.1047 | 1.9615 |
| 2-Hydroxyethanesulfonate | 0.6537 | 0.8234 | 1.1794 | 2.4317 | 0.8126 | 0.7239 | 0.5134 | 0.6986 | 0.5256 | 1.3441 | 0.8664 | 1.1191 | 0.9319 | 1.0669 | 1.3093 |
| 2-Hydroxyglutaric acid | 0.7308 | 0.8233 | 1.1955 | 2.3847 | 0.7736 | 0.6353 | 0.4700 | 0.7176 | 0.5729 | 1.3649 | 0.7311 | 0.7766 | 1.0918 | 1.0487 | 1.6832 |
| 2-Hydroxyhexadecanoic acid | 0.7300 | 0.8127 | 0.7488 | 1.6463 | 1.1110 | 0.7296 | 1.0188 | 1.0128 | 0.9173 | 1.6725 | 1.1509 | 0.7595 | 0.8179 | 1.0944 | 0.7775 |
| 2-Hydroxystearic acid | 0.7321 | 0.7112 | 0.9419 | 1.6250 | 1.1363 | 0.7412 | 1.0906 | 0.8254 | 0.6881 | 1.9525 | 1.1460 | 0.8274 | 0.7490 | 1.0639 | 0.7695 |
| 2-Keto-glutaramic acid | 0.7157 | 0.9211 | 0.7483 | 0.7212 | 1.0366 | 1.0276 | 0.9455 | 1.1817 | 0.6860 | 0.8706 | 1.3372 | 1.2498 | 1.0732 | 1.3829 | 1.1026 |
| 2-Methylhexanoic acid | 1.1382 | 1.0327 | 0.9001 | 0.8030 | 0.8684 | 0.9263 | 0.9086 | 0.9240 | 1.3780 | 0.9899 | 0.7050 | 1.1675 | 0.9066 | 1.2786 | 1.0731 |
| 2-oxo-5-chloro-4-pentenoate | 0.9169 | 0.5931 | 1.1640 | 0.4326 | 0.6622 | 1.2953 | NA | 0.9565 | 0.5472 | 0.6078 | 1.3479 | 0.3999 | 0.8878 | 2.7207 | 1.4680 |
| 2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole | 1.6755 | 1.7600 | 1.7068 | NA | NA | NA | 0.1573 | 0.1889 | NA | 0.3018 | 0.3605 | 0.3987 | 1.4311 | 1.7703 | 1.2491 |
| 3-Oxooctadecanoic acid | 0.9165 | 0.8946 | 0.8692 | 1.1816 | 1.0740 | 1.0962 | 0.8350 | 1.2090 | 1.0434 | 1.4439 | 0.8679 | 0.9441 | 0.7749 | 1.0926 | 0.7571 |
| 3-(Phosphoacetylamido)-L-alanine | NA | NA | 0.2843 | NA | NA | NA | 0.2527 | 0.2429 | NA | 0.2170 | 0.6273 | 0.3028 | 2.0378 | 2.2239 | 2.8113 |
| 3^-UMP | 1.2056 | 1.3107 | 1.2750 | 0.6040 | 0.8304 | 0.7814 | 1.1219 | 1.2236 | 1.0508 | 1.0695 | 1.7485 | 1.4745 | 0.3856 | 0.4912 | 0.4273 |
| 4-Nitrophenyl-3-ketovalidamine | 2.1805 | 2.0528 | 2.7286 | 0.5123 | 0.4325 | 0.4920 | 0.8630 | 0.7153 | 0.8844 | 0.6961 | 1.0904 | 0.7504 | 0.5051 | 0.6697 | 0.4270 |
| 4-Oxoproline | 0.7423 | 0.7819 | 0.9328 | 1.5000 | 0.9480 | 0.7409 | 0.6173 | 0.8455 | 0.7170 | 1.4763 | 1.4731 | 1.4152 | 0.7970 | 0.9302 | 1.0826 |
| 5,6-Dihydrouridine | 0.2916 | 0.2558 | 0.6392 | 0.2441 | 0.2001 | 0.1217 | 0.2514 | 0.3210 | 0.1114 | 0.6250 | 1.7489 | 0.7484 | 3.3116 | 4.4658 | 1.6639 |
| 5^-Oxoinosine | 1.2878 | 1.2143 | 1.5469 | 0.7985 | 0.7820 | 0.6833 | 0.9602 | 1.0439 | 0.9181 | 0.9821 | 1.2126 | 0.9078 | 0.8184 | 1.1011 | 0.7428 |
| 6,10,14,18-eicosatetraenoic acid | 1.0397 | 1.0269 | 0.9532 | 1.1337 | 0.8267 | 0.6848 | 1.3078 | 1.1052 | 0.8521 | 0.9848 | 1.3703 | 1.1563 | 0.7286 | 1.0261 | 0.8039 |
| actinorhodin | 0.9121 | 0.9815 | 1.0488 | 0.9202 | 1.4364 | 0.7327 | 0.8243 | 0.8911 | 0.3172 | 2.6598 | 1.3511 | 0.7007 | 0.8044 | 0.5394 | 0.8802 |
| Adlupone | 1.0404 | 0.9318 | 1.0590 | 0.8076 | 0.9691 | 1.1758 | 0.8713 | 1.0338 | 0.8781 | 0.9517 | 0.9627 | 1.2121 | 0.9083 | 0.9739 | 1.2245 |
| ADP | 1.1640 | 1.0806 | 1.6745 | 0.7281 | 0.9030 | 0.8209 | 0.9690 | 1.0563 | 0.7699 | 0.7694 | 1.0175 | 0.7143 | 1.1572 | 1.2256 | 0.9495 |
| Ala/Ala/Ala | 2.4539 | 2.5745 | 2.7759 | 0.1445 | 0.1605 | 0.1971 | 0.2654 | 0.2649 | 0.2415 | 0.3324 | 0.4944 | 0.4127 | 1.4528 | 1.8211 | 1.4084 |
| Ala/Ala/Ala/Asp | 0.3810 | 0.3899 | 0.5966 | NA | NA | NA | NA | NA | NA | NA | 0.0470 | 0.0351 | 2.0241 | 2.5530 | 1.9732 |
| Ala/Ala/Asp/Tyr | 1.2846 | 1.2300 | 1.2111 | 0.6380 | 0.6084 | 0.5788 | 0.9168 | 1.0855 | 0.7656 | 0.8637 | 1.3821 | 1.2128 | 1.1951 | 1.1565 | 0.8709 |
| Ala/Ala/Ser | 1.3214 | 1.2842 | 1.5414 | 0.0399 | 0.0399 | 0.0501 | 0.1153 | 0.1144 | 0.1030 | 0.1266 | 0.2263 | 0.2010 | 3.0303 | 3.8435 | 2.9628 |
| Ala/Asp/Gly | 1.9551 | 1.9754 | 1.4549 | 0.3190 | 0.3216 | 0.3548 | 0.6611 | 0.4717 | 0.6562 | 0.4792 | 0.7098 | 0.5972 | 1.6400 | 1.9139 | 1.4899 |
| Ala/Asp/Ile/Ile/Gln | 0.9641 | 0.7484 | 1.2470 | 1.1892 | 0.7545 | 0.9957 | 1.0450 | 1.0130 | 0.6990 | 0.9406 | 1.0802 | 0.8189 | 1.2097 | 1.3748 | 0.9200 |
| Ala/Glu/Gln/Glu | 1.2413 | 1.1782 | 1.4237 | NA | NA | NA | NA | NA | NA | 0.1125 | 0.3282 | 0.3048 | 1.4110 | 1.6493 | 1.3510 |
| Ala/Glu/Ile/Pro/Thr | 1.1580 | 0.9014 | 0.7944 | 0.9248 | 1.0071 | 0.7413 | 1.3125 | 1.2810 | 1.2673 | 1.0811 | 1.5757 | 1.3270 | 0.4877 | 0.6479 | 0.4925 |
| Ala/Gly/Ser | 1.6159 | 1.4824 | 1.6954 | 0.1390 | 0.1574 | 0.1591 | 0.2827 | 0.2739 | 0.2261 | 0.3188 | 0.5774 | 0.4157 | 2.4272 | 2.9975 | 2.2314 |
| Ala/Ile/Ile/Lys | 1.1184 | 1.0515 | 1.0609 | 1.0484 | 0.8342 | 0.6594 | 1.1121 | 0.9856 | 0.7788 | 1.0188 | 1.2376 | 0.9296 | 1.0915 | 1.0904 | 0.9827 |
| Ala/Leu/Thr/Ala | 1.0363 | 1.0890 | 1.0526 | 1.2965 | 0.7379 | 0.7421 | 1.1837 | 1.2402 | 0.8821 | 1.1776 | 1.2560 | 1.0284 | 0.5848 | 1.0461 | 0.6466 |
| Ala/Leu/Trp/Ser | 2.7996 | 2.0654 | 2.5341 | 0.1522 | 0.2055 | 0.1810 | 0.3570 | 0.4962 | 0.2939 | 0.4590 | 0.7425 | 0.5757 | 1.1158 | 1.8766 | 1.1454 |
| Alanyl-Asparagine | 2.2130 | 2.0188 | 2.8362 | 0.2369 | 0.4917 | 0.2984 | 0.6025 | 0.6625 | 0.6572 | 0.7288 | 0.9435 | 0.6863 | 1.0198 | 0.9263 | 0.6781 |
| Alanyl-Serine | 1.5599 | 1.5141 | 1.7844 | 0.3656 | 0.5929 | 0.5010 | 0.7548 | 0.7445 | 0.7385 | 0.9615 | 1.4917 | 1.0331 | 0.9938 | 1.1125 | 0.8517 |
| Aliarin 4^-methyl ether | 1.4530 | 1.3647 | 0.5994 | 0.9341 | 1.8897 | 0.9851 | 1.0325 | 1.2780 | 0.5031 | 1.0054 | 0.7873 | 0.6225 | 0.4884 | 1.0048 | 1.0520 |
| alpha-Ketoisovaleric acid | 1.2138 | 1.0999 | 1.1092 | 1.0947 | 0.9826 | 1.0405 | 0.5955 | 0.9935 | 1.3728 | 1.0112 | 0.7401 | 1.1247 | 0.8346 | 0.9029 | 0.8839 |
| Alvaradoic acid | 0.8839 | 0.9435 | 1.1254 | 0.9770 | 0.8788 | 0.7740 | 1.1605 | 1.2243 | 1.0073 | 1.1018 | 1.2473 | 0.9618 | 0.9171 | 0.9189 | 0.8783 |
| ancymidol | 0.9352 | 1.0171 | 0.9370 | 1.1459 | 1.2390 | 1.0520 | 1.0438 | 1.2096 | 0.8290 | 1.0597 | 0.8439 | 0.9035 | 0.7363 | 0.9688 | 1.0790 |
| Antirhine | 0.7891 | 1.4125 | 1.6289 | 0.5592 | 1.7546 | 2.2271 | 1.4198 | 0.9455 | 0.5479 | 0.6744 | 0.9070 | 0.8631 | 0.4446 | 0.4048 | 0.4215 |
| arabinonate | 0.6149 | 1.1047 | 1.2135 | 1.2578 | 0.6622 | 1.2847 | 1.0543 | 1.3426 | 1.2613 | 1.1548 | 0.3998 | 0.9555 | 0.8347 | 0.7386 | 1.1206 |
| Arachidic acid | 1.0492 | 0.9100 | 0.8306 | 1.0429 | 1.0995 | 1.0801 | 0.8602 | 1.2828 | 1.0023 | 0.8390 | 1.0303 | 0.9363 | 0.9052 | 0.9791 | 1.1524 |
| Armillatin | 0.3271 | 0.6842 | 2.7571 | 2.1357 | 0.6904 | 1.1670 | 1.9168 | 0.5708 | 1.6188 | 1.0447 | 0.9387 | 0.6566 | 0.3432 | 0.0509 | 0.0982 |
| Asn/Gly/Pro/Pro | 0.5033 | 0.4785 | 0.6665 | 0.2194 | 0.2574 | 0.2059 | 0.3359 | 0.4845 | 0.2325 | 0.3726 | 0.5446 | 0.6831 | 2.8598 | 3.8171 | 3.3389 |
| Asparagine | 1.1923 | 1.2625 | 1.2305 | 1.3663 | 0.7814 | 0.6548 | 0.6455 | 0.8987 | 0.6411 | 1.4566 | 1.2903 | 1.0505 | 0.7131 | 0.8089 | 1.0075 |
| Asparaginyl-Asparagine | 1.7106 | 1.6920 | 3.9881 | 0.3726 | 0.3513 | 0.3253 | 0.6161 | 0.5648 | 0.5021 | 0.6866 | 1.0149 | 0.5181 | 0.7928 | 1.0667 | 0.7980 |
| Asparaginyl-Aspartic acid | 1.5289 | 1.3983 | 1.0589 | 0.3213 | 0.3323 | 0.3462 | 0.4396 | 0.5276 | 0.7265 | 0.5623 | 0.6703 | 0.5894 | 1.9630 | 2.8011 | 1.7343 |
| Aspartic acid | 1.2417 | 1.4847 | 1.5477 | 0.9172 | 0.6402 | 0.4892 | 0.5615 | 0.7079 | 0.5870 | 1.3386 | 1.5284 | 1.2015 | 0.7682 | 0.9409 | 1.0452 |
| Asp/Phe/Asn/Gln/Tyr | 1.2948 | 1.0334 | 0.5494 | 0.6681 | 1.0791 | 1.3924 | 0.6635 | 1.0875 | 1.1616 | 1.2455 | 1.3327 | 0.7172 | 0.7893 | 1.0970 | 0.8885 |
| Asp/Phe/Pro/His | 2.0999 | 1.4526 | 2.1262 | NA | NA | NA | NA | 0.0964 | NA | 0.1061 | 0.2953 | 0.2381 | 1.2133 | 1.3497 | 1.0223 |
| Asp/Pro/Ser | 0.4787 | 0.5080 | 0.5673 | 0.0702 | 0.1697 | 0.0936 | 0.0866 | 0.2050 | 0.0991 | 0.5525 | 0.7117 | 0.6970 | 3.3967 | 4.5021 | 2.8618 |
| Asp/Val/Pro/Ser | 1.0550 | 1.0029 | 1.0542 | 0.7291 | 0.8164 | 0.7653 | 0.9892 | 1.0851 | 0.9504 | 0.9171 | 1.3269 | 1.1544 | 0.9880 | 1.2321 | 0.9339 |
| avenolide | 0.6883 | 1.2068 | 1.5242 | 0.3934 | 1.6163 | 1.7252 | 2.2061 | 1.2948 | 0.5809 | 0.5486 | 0.6620 | 0.6542 | 0.3571 | 0.7593 | 0.7828 |
| Bay-K-8644 | NA | NA | NA | 2.0506 | 0.5045 | 0.3581 | NA | NA | NA | NA | NA | NA | 0.7710 | 1.2455 | 1.0703 |
| Benzoic acid | 1.0244 | 0.6662 | 0.7519 | 1.1123 | 0.7524 | 0.6527 | 1.3894 | 0.9643 | 1.1858 | 1.0537 | 0.7793 | 1.0555 | 0.9270 | 1.3850 | 1.3001 |
| beta-aspartyl-L-alanine | 1.4789 | 1.8472 | 1.6737 | 0.2365 | 0.2610 | 0.2091 | 0.4681 | 0.2638 | 0.3174 | 0.6418 | 0.7000 | 0.4291 | 2.0432 | 2.3177 | 2.1127 |
| beta-aspartyl-L-aspartic acid | 1.1148 | 1.2586 | 1.2189 | 0.3597 | 0.4632 | 0.4285 | 0.5598 | 0.6277 | 0.4540 | 0.8015 | 0.9313 | 0.6354 | 2.0311 | 2.3293 | 1.7862 |
| beta-aspartyl-L-leucine | 2.3116 | 2.2326 | 2.1668 | 0.1685 | 0.1624 | 0.2098 | 0.3073 | 0.2888 | 0.2650 | 0.2402 | 0.4294 | 0.3728 | 1.8038 | 2.4338 | 1.6071 |
| beta-aspartyl-L-serine | 2.3812 | 2.1729 | 1.4859 | 0.2385 | 0.3304 | 0.3307 | 0.6499 | 0.6290 | 0.5528 | 0.7162 | 0.8930 | 0.7197 | 1.3048 | 1.6157 | 0.9793 |
| beta-aspartyl-L-threonine | 1.8026 | 1.8442 | 2.0461 | 0.1952 | 0.1667 | 0.1880 | 0.3373 | 0.2800 | 0.3202 | 0.2605 | 0.4005 | 0.2810 | 2.2066 | 2.5305 | 2.1405 |
| Botrydial | 0.6184 | 0.7703 | 2.4899 | 1.5700 | 0.6862 | 1.6203 | 1.5368 | 0.7112 | 1.0708 | 0.8683 | 0.5826 | 1.0136 | 0.5216 | 0.4788 | 0.4610 |
| Butyric acid | 0.9518 | 0.7750 | 1.2774 | 1.4588 | 1.2812 | 0.9925 | 1.4080 | 1.4068 | 0.7850 | 0.9384 | 0.8181 | 0.8912 | 0.6969 | 0.6386 | 0.6804 |
| Capric acid | 1.0991 | 1.3481 | 1.1688 | 0.4825 | 1.2382 | 1.5871 | 1.1466 | 1.3527 | 0.9750 | 0.8744 | 0.8459 | 0.8016 | 0.5801 | 0.7589 | 0.7411 |
| Caproic acid | 1.2475 | 0.9042 | 0.8634 | 0.9838 | 0.8661 | 0.8362 | 0.9282 | 1.0249 | 1.4453 | 0.9970 | 0.6774 | 1.2235 | 0.9367 | 1.1830 | 0.8829 |
| Caprylic acid | 1.1222 | 1.0539 | 1.0322 | 0.5603 | 1.0081 | 1.0798 | 1.0781 | 1.2696 | 1.2010 | 0.9103 | 1.0454 | 1.0461 | 0.6904 | 0.8791 | 1.0234 |
| Carglumic acid | 0.5315 | 0.6856 | 0.7166 | 0.3957 | 0.4718 | 0.4420 | 0.5094 | 0.6283 | 0.4535 | 0.6994 | 0.7495 | 0.9319 | 2.3469 | 2.9029 | 2.5350 |
| castasterone 22-O-sulfate | 1.2428 | 0.8501 | 1.2323 | 1.2528 | 0.8505 | 0.8046 | 1.0281 | 0.9277 | 0.8837 | 1.0056 | 1.0201 | 0.8348 | 0.9616 | 1.2956 | 0.8099 |
| CDP-Ethanolamine | 1.0952 | 1.1861 | 1.3122 | 0.7292 | 0.9767 | 0.8893 | 0.9420 | 1.1336 | 1.1008 | 0.9735 | 1.6384 | 1.1920 | 0.5644 | 0.6948 | 0.5718 |
| Cer(d18:0/22:1) | 1.0358 | 1.1330 | 1.0775 | 1.1240 | 0.9120 | 0.9680 | 0.9878 | 1.0038 | 0.8788 | 1.0692 | 0.9116 | 1.0355 | 0.8498 | 1.0929 | 0.9203 |
| Cer(d18:1/24:1) | 0.9446 | 1.0168 | 0.8976 | 1.2281 | 1.1256 | 0.9451 | 0.9309 | 1.1806 | 0.8057 | 1.0705 | 0.7753 | 1.1339 | 0.8864 | 1.0721 | 0.9869 |
| Cholesterol sulfate | 0.9214 | 0.9610 | 0.9795 | 1.2161 | 1.0657 | 0.8141 | 1.0048 | 1.0203 | 0.8523 | 0.9099 | 1.2577 | 0.9484 | 0.9761 | 1.1210 | 0.9516 |
| Citric acid | 0.8981 | 0.9627 | 0.7773 | 1.1852 | 1.3764 | 0.8611 | 1.4418 | 1.1318 | 1.0485 | 1.0948 | 1.1613 | 0.8556 | 0.8174 | 0.7583 | 0.6297 |
| CMP-2-aminoethylphosphonate | 0.9980 | 1.0460 | 1.0648 | 1.0499 | 0.9175 | 0.7459 | 0.7476 | 0.8943 | 0.7181 | 0.9994 | 1.2930 | 1.1808 | 0.9428 | 1.2165 | 1.1853 |
| Cyclic ADP-ribose | 1.1064 | 1.0322 | 1.0830 | 0.9056 | 0.9087 | 0.7176 | 0.9678 | 1.0875 | 0.6984 | 0.9444 | 1.3247 | 0.9724 | 1.0777 | 1.3530 | 0.8205 |
| Cytidine monophosphate | 1.4627 | 1.3203 | 1.4643 | 0.5995 | 0.7900 | 0.6988 | 1.1197 | 1.2749 | 0.9501 | 1.0224 | 1.6672 | 1.3036 | 0.3705 | 0.5632 | 0.3928 |
| DGCC(20:5/20:5) | 1.0154 | 1.0143 | 1.0242 | 1.0417 | 1.1065 | 0.8427 | 0.9568 | 0.9641 | 0.9506 | 1.0349 | 1.0530 | 1.0323 | 0.8664 | 1.0589 | 1.0382 |
| Diacetyl | 1.5235 | 1.0805 | 0.7129 | 0.8482 | 1.7529 | 1.0812 | 0.9614 | 1.0599 | 0.6561 | 0.8125 | 1.0163 | 0.6915 | 0.6918 | 0.9470 | 1.1641 |
| Dibenzo[a,l]pyrene | 1.3181 | 1.3423 | 1.5992 | NA | NA | NA | 0.3403 | 0.3168 | NA | 0.3070 | 0.8805 | 0.7166 | 1.4359 | 1.5453 | 1.1978 |
| Dide-O-methylsimmondsin | 0.8001 | 1.8680 | NA | 0.8545 | 0.7722 | NA | 1.0433 | 1.6064 | NA | 1.2295 | 0.2080 | NA | 0.9243 | 0.6936 | NA |
| Dihydro-4,4-dimethyl-2,3-Furandione | 1.5270 | 1.1425 | 0.7169 | 1.1407 | 1.0987 | 0.5722 | 1.3585 | 1.0437 | 1.0206 | 1.0552 | 0.8463 | 0.3092 | 1.2773 | 0.9977 | 0.8933 |
| dihydroxy-15-oxo-2,3,4,5-tetranor-prostan-1,20-dioic acid | NA | 0.4256 | 1.8885 | 1.4133 | 1.0029 | 1.4698 | 1.4611 | 0.3328 | 1.1856 | 0.8970 | 0.7473 | 0.9102 | 0.2659 | NA | NA |
| Dimethylthiophosphate | 0.8669 | 0.6700 | 1.5611 | 1.0873 | 0.8611 | 0.8520 | 1.0846 | 1.0883 | 0.7310 | 0.6673 | 0.9646 | 0.7104 | 1.3099 | 1.5979 | 0.9475 |
| Docosapentaenoic acid (22n-6) | 0.9772 | 1.0199 | 1.0021 | 1.1704 | 0.8203 | 0.7583 | 1.4776 | 1.4045 | 0.9640 | 0.9600 | 1.3570 | 0.9906 | 0.6556 | 0.7420 | 0.7004 |
| Dopamine | 1.0144 | 0.8882 | 0.9788 | 1.4487 | 0.9922 | 0.8503 | 0.6177 | 1.0335 | 1.1578 | 1.0222 | 1.1864 | 1.2096 | 0.7615 | 0.8117 | 1.0269 |
| Eicosatrienoic acid | 0.8310 | 0.9388 | 0.8502 | 1.2088 | 0.9560 | 0.6689 | 1.2731 | 1.0757 | 0.9511 | 0.8625 | 1.1396 | 1.0646 | 0.9317 | 1.2612 | 0.9867 |
| epsilon-Tocopherol | 1.2520 | 1.0490 | 0.9533 | 0.4885 | 1.0491 | 1.2732 | 0.6116 | 1.1748 | 0.8364 | 1.0636 | 0.9037 | 1.3183 | 0.8256 | 0.9765 | 1.2242 |
| Eupatocunin | 1.2400 | 0.8512 | 0.4783 | 1.0587 | 1.7939 | 1.0719 | 1.0305 | 1.2150 | 0.6518 | 0.9647 | 0.9112 | 0.8092 | 0.6876 | 1.0865 | 1.1494 |
| FA methyl(12:0) dodecanoic acid | 0.9055 | 0.6403 | 1.6527 | 0.8147 | 1.1713 | 0.7602 | 1.7660 | 1.2272 | 1.1928 | 0.8759 | 0.8216 | 0.9702 | 0.5369 | 0.7228 | 0.9419 |
| FA methyl(14:0) | 0.9384 | 0.8366 | 1.0193 | 1.2186 | 1.3513 | 0.7879 | 1.1142 | 1.6509 | 0.9223 | 1.0438 | 0.9093 | 0.7178 | 0.6438 | 0.8485 | 0.9973 |
| FA methyl(16:1) | 0.7599 | 0.8230 | 0.9149 | 1.4763 | 1.3810 | 0.7529 | 1.2209 | 1.6132 | 0.8398 | 1.2748 | 0.8681 | 0.8726 | 0.6366 | 0.7937 | 0.7723 |
| FA methyl(8:0) | 0.8764 | 1.1816 | 1.1633 | 0.4506 | 1.3388 | 1.3106 | 1.5070 | 1.2914 | 0.9743 | 0.7520 | 1.0110 | 0.8142 | 0.5327 | 0.8821 | 0.9138 |
| FA methyl (8:1) | 1.1015 | 0.9829 | 1.0358 | 0.7723 | 0.9937 | 1.2193 | 0.7632 | 1.0009 | 1.6249 | 0.8604 | 0.8228 | 1.4062 | 0.7611 | 0.7492 | 0.9059 |
| FA oxo(16:0) | 0.8846 | 1.1738 | 0.8288 | 1.2745 | 0.9500 | 0.7860 | 1.1683 | 1.1094 | 0.8716 | 1.4477 | 0.9215 | 0.8195 | 0.7857 | 1.0789 | 0.8996 |
| FA oxo(7:0) | 0.9817 | 1.2927 | 1.1390 | 1.0378 | 1.1046 | 0.9981 | 1.0280 | 0.8406 | 0.8353 | 0.9026 | 0.8781 | 1.1647 | 0.9955 | 0.9546 | 0.8466 |
| FA oxo(9:0) oxo-nonanoic acid | 0.9625 | 0.8803 | 1.3980 | 0.9558 | 1.2318 | 0.9847 | 1.2554 | 1.2304 | 0.9243 | 0.9835 | 0.8878 | 0.8314 | 0.8189 | 0.8062 | 0.8490 |
| Fenamiphos | 0.3756 | 0.3989 | 1.2308 | NA | 0.1338 | NA | NA | 0.1497 | NA | 0.3844 | 0.9222 | 0.3718 | 2.1549 | 3.2626 | 1.6154 |
| Fenugreekine | 1.0498 | 1.0662 | 1.1094 | 0.8865 | 0.8847 | 0.8084 | 0.9000 | 1.0300 | 0.7882 | 0.9346 | 1.2654 | 1.0117 | 1.0370 | 1.3240 | 0.9042 |
| gamma-Glutamylalanine | 1.7220 | 1.6277 | 1.7106 | 0.0737 | 0.0665 | 0.0748 | 0.1619 | 0.1293 | 0.1173 | 0.1634 | 0.2499 | 0.1611 | 2.6025 | 3.3819 | 2.7575 |
| gamma-Glutamylisoleucine | 1.8266 | 1.9602 | 1.4030 | 0.4151 | 0.3912 | 0.3158 | 0.5376 | 0.5593 | 0.3783 | 0.5474 | 0.5536 | 0.5180 | 1.7757 | 2.1159 | 1.7023 |
| Gamma glutamyl ornithine | 0.6524 | 0.7748 | 0.9466 | 0.4332 | 0.6055 | 0.5602 | 0.6450 | 0.7906 | 0.5897 | 0.6789 | 0.9875 | 1.0498 | 1.8662 | 2.4423 | 1.9772 |
| gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide | 0.3461 | 0.4179 | 0.3194 | 0.3723 | 0.5866 | 0.5353 | NA | 0.4898 | NA | 0.3429 | 0.9427 | 1.1299 | 2.1611 | 2.8979 | 2.4582 |
| gamma-Glutamyltyrosine | 2.1690 | 1.7590 | 4.0452 | 0.2782 | 0.2784 | 0.2515 | 0.7298 | 0.4088 | 0.6513 | 0.5756 | 0.9182 | 0.5170 | 0.7792 | 0.9403 | 0.6986 |
| Genipinic acid | 0.8453 | 0.6489 | 0.2499 | 3.5172 | 1.0668 | 0.7300 | 0.2155 | 2.1823 | 1.3322 | 0.3175 | 0.6432 | 0.5783 | NA | 0.3181 | 1.3548 |
| Glu/Ala/Glu | 0.7333 | 0.7953 | 0.9920 | 0.1471 | 0.2227 | 0.2246 | 0.2842 | 0.3041 | 0.1997 | 0.2973 | 0.4493 | 0.3709 | 3.1734 | 3.9365 | 2.8697 |
| Glu/Ala/Ser | 1.0043 | 1.1510 | 1.2472 | 0.7932 | 1.0283 | 0.7958 | 0.9080 | 1.0190 | 0.9375 | 1.0671 | 1.3940 | 1.1401 | 0.7748 | 0.9259 | 0.8138 |
| Gluconic acid | 0.8258 | 0.6087 | 2.2973 | 0.3392 | 0.2519 | 0.1648 | 0.4299 | 0.7634 | 0.3517 | 1.0798 | 1.0891 | 0.8173 | 1.7512 | 2.3911 | 1.8387 |
| Gluconolactone | 0.7106 | 0.7525 | 1.1301 | 2.9372 | 0.8533 | 0.6916 | 0.3859 | 0.6093 | 0.4529 | 1.3488 | 0.5921 | 0.8154 | 1.0940 | 1.1656 | 1.4606 |
| Glucosamine 6-phosphate | NA | NA | NA | 0.6964 | 0.9815 | 0.7814 | NA | NA | NA | NA | NA | NA | 1.1812 | 1.4410 | 0.9184 |
| Glucose | 0.6699 | 0.7977 | 0.8598 | 1.8208 | 0.9305 | 0.7311 | 0.5378 | 0.7236 | 0.7025 | 1.3460 | 0.9334 | 0.9610 | 1.2202 | 1.3567 | 1.4090 |
| Glucuronate | 0.4972 | 0.4910 | 0.6956 | 2.9396 | 0.9499 | 0.8473 | 0.1862 | 0.3830 | 0.3699 | 0.7987 | 0.4840 | 0.8374 | 1.4291 | 1.6821 | 2.4089 |
| Glu/Met/Met | 0.3195 | 0.2885 | 0.8455 | NA | NA | NA | NA | NA | NA | NA | 0.2306 | NA | 1.5000 | 1.6217 | 2.1942 |
| Glu/Phe/Gln/Gln/Tyr | 1.2985 | 1.0285 | 0.5705 | 0.5947 | 1.1680 | 1.3216 | 0.6118 | 1.2504 | 1.0973 | 1.3232 | 1.3183 | 0.7998 | 0.7525 | 1.0453 | 0.8194 |
| Glu/Ser/Val | 0.5681 | 0.7019 | 0.7700 | 0.1971 | 0.2780 | 0.2251 | 0.3279 | 0.4129 | 0.2075 | 0.3731 | 0.4443 | 0.4775 | 2.9780 | 3.9024 | 3.1362 |
| Glutamic acid | 0.7024 | 0.7905 | 0.8309 | 1.3708 | 0.9891 | 0.7608 | 0.5366 | 0.8241 | 0.7117 | 1.5978 | 1.6640 | 1.7449 | 0.6784 | 0.7862 | 1.0119 |
| Glutamylglutamic acid | 0.1490 | 0.1226 | 0.3058 | 0.0736 | 0.0531 | 0.0307 | 0.0543 | 0.0701 | 0.0174 | 0.1225 | 0.2058 | 0.0857 | 4.4582 | 6.6437 | 2.6078 |
| Glutamylthreonine | 0.7746 | 0.7277 | 0.7593 | 0.6570 | 0.7515 | 0.6579 | 0.9471 | 0.9874 | 0.6487 | 1.2671 | 1.4437 | 1.1329 | 1.1592 | 1.7875 | 1.2983 |
| Glutathione | 0.9472 | 1.0146 | 1.3834 | 2.0197 | 0.7383 | 0.6895 | 1.0126 | 0.9669 | 0.9639 | 0.9294 | 1.1768 | 1.0201 | 0.6585 | 0.7592 | 0.7199 |
| glutathione sulfinate | 0.9124 | 0.9138 | 0.9572 | 1.6916 | 0.7830 | 0.9202 | 0.8582 | 1.1257 | 0.9367 | 1.1755 | 1.1855 | 1.1383 | 0.7154 | 0.7471 | 0.9392 |
| Glycerol 3-phosphate | 0.3858 | 0.5513 | 0.4774 | 0.9783 | 1.0174 | 0.6806 | 0.4870 | 0.8036 | 0.4204 | 1.2666 | 1.2038 | 1.1574 | 1.6851 | 1.9576 | 1.9277 |
| Glycerophosphoglycerol | 0.9225 | 1.1375 | 1.1224 | 0.8744 | 0.8498 | 0.8748 | 0.8070 | 1.2933 | 0.6610 | 0.8941 | 1.5592 | 1.1463 | 0.9317 | 1.1036 | 0.8225 |
| Gly/Lys/Lys/Met/Arg | 0.6493 | 1.1371 | 0.9867 | 0.7402 | 0.4078 | 0.1138 | 0.2819 | 0.2630 | 0.2615 | 0.7640 | 0.7685 | 0.4778 | 2.6441 | 2.4351 | 3.0692 |
| Gly/Lys/Pro/Pro/Val | 1.0214 | 0.6422 | 1.3508 | 1.0281 | 1.0145 | 0.8693 | 1.0388 | 1.0064 | 0.8079 | 0.7903 | 1.0542 | 0.8633 | 1.1611 | 1.3849 | 0.9667 |
| Grayanotoxin I | 0.2131 | 0.6910 | 2.5120 | 1.5540 | 0.8726 | 1.4402 | 1.3842 | 0.5057 | 1.4445 | 0.6772 | 0.6873 | 0.5911 | 0.4270 | NA | NA |
| Guanosine 3^-phosphate | 1.5226 | 1.4706 | 1.4035 | 0.3918 | 0.6562 | 0.6595 | 0.9888 | 1.2344 | 0.7963 | 0.9081 | 1.4939 | 1.2220 | 0.7172 | 0.8671 | 0.6680 |
| Heptadecanoic acid | 1.0261 | 1.0994 | 1.1541 | 1.0204 | 1.0337 | 1.1129 | 0.7882 | 1.2895 | 0.8705 | 1.0584 | 1.0782 | 0.9223 | 0.7074 | 0.8434 | 0.9954 |
| Hexose phosphate | 0.9067 | 0.8641 | 0.9611 | 0.8977 | 1.0360 | 0.7571 | 0.9971 | 1.0868 | 0.8288 | 1.1619 | 1.4137 | 0.8393 | 1.0960 | 1.1225 | 1.0313 |
| Hippuric acid | 0.7967 | 1.0353 | 0.9006 | 1.3745 | 1.0133 | 0.6519 | 0.9502 | 1.0106 | 0.6786 | 1.6220 | 1.2922 | 1.1292 | 0.6962 | 0.9851 | 0.8636 |
| Hydantoin-5-propionic acid | 0.5020 | 0.5396 | 0.6621 | 0.3222 | 0.3874 | 0.3862 | 0.4380 | 0.5798 | 0.3191 | 0.5087 | 0.7572 | 0.8653 | 2.5011 | 3.2116 | 3.0196 |
| Hydroxyphenylacetylglycine | 0.9421 | 0.7841 | 1.1931 | 1.2301 | 1.0964 | 0.8663 | 0.8076 | 1.1059 | 0.7433 | 1.1126 | 1.1360 | 1.1437 | 0.7422 | 1.2501 | 0.8465 |
| Hydroxyprolyl-Proline | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9539 | 1.0849 | 0.9612 |
| Hypogeic acid | 0.6195 | 0.6650 | 1.0690 | 1.8265 | 1.3304 | 0.7464 | 1.5439 | 1.8968 | 0.8916 | 0.8447 | 0.7836 | 0.8815 | 0.5262 | 0.6432 | 0.7316 |
| Ile/Asp/Asp | 1.0203 | 1.1315 | 1.4558 | 0.1034 | 0.1373 | 0.1610 | 0.1247 | 0.2057 | 0.0689 | 0.2979 | 0.3959 | 0.3403 | 3.0032 | 3.6742 | 2.8799 |
| Ile/Lys/Gln/Tyr | 0.9895 | 0.9817 | 1.1774 | 0.9661 | 1.0017 | 0.9652 | 0.9564 | 0.8978 | 1.1890 | 0.9761 | 1.0310 | 0.9775 | 0.9527 | 1.0171 | 0.9207 |
| Ile/Phe/Pro/Pro | 0.7457 | 1.1883 | 1.2802 | 0.6622 | 0.8636 | 0.6838 | 0.7460 | 1.0107 | 0.7028 | 0.8271 | 1.2428 | 0.9230 | 1.2541 | 1.3519 | 1.5179 |
| Inosinic acid | 1.0569 | 1.0404 | 0.9904 | 1.0258 | 0.9285 | 0.6772 | 1.4228 | 1.0259 | 0.8774 | 0.9755 | 1.2681 | 0.8691 | 0.8943 | 1.0242 | 0.9234 |
| Isoleucyl-Alanine | 1.9008 | 1.5154 | 2.1580 | 0.1887 | 0.2279 | 0.5275 | 0.2940 | 0.6358 | 0.5324 | 0.6835 | 0.9146 | 0.5785 | 1.5677 | 1.8497 | 1.4254 |
| Isoleucyl-Asparagine | 1.7729 | 1.9508 | 1.9976 | 0.1614 | 0.1824 | 0.1984 | 0.3007 | 0.3583 | 0.2868 | 0.2878 | 0.6033 | 0.4639 | 1.8985 | 2.5436 | 1.9937 |
| Isoleucyl-Lysine | 2.5430 | 2.3319 | 2.8548 | 0.3980 | 0.3908 | 0.5899 | 0.9031 | 0.6673 | 0.9730 | 0.5887 | 1.2072 | 0.9621 | 0.1825 | 0.2463 | 0.1615 |
| Isoleucylproline | 2.4473 | 2.2544 | 1.8002 | 0.4264 | 0.4661 | 0.4208 | 0.7690 | 0.8699 | 0.7573 | 1.0151 | 0.9319 | 0.9092 | 0.7619 | 0.6714 | 0.4993 |
| Isoleucyl-Threonine | 2.5158 | 2.1344 | 2.1121 | 0.3197 | 0.2514 | 0.3540 | 0.5952 | 0.6449 | 0.5446 | 0.5204 | 0.9155 | 0.6489 | 1.1130 | 1.4127 | 0.9174 |
| Isoleucyl-Valine | 1.5776 | 1.6776 | 1.6376 | 0.1600 | 0.1715 | 0.1264 | 0.2782 | 0.3127 | 0.2504 | 0.2290 | 0.4330 | 0.3519 | 2.4258 | 3.0840 | 2.2844 |
| Isopropylmaleate | 1.1385 | 1.1370 | 0.4845 | 0.8971 | 0.9123 | 1.0359 | 1.1593 | 1.1684 | 1.3288 | 1.1967 | 0.5094 | 0.8500 | 0.9908 | 0.9786 | 1.2125 |
| Isotridecenoic acid | 1.0064 | 0.8870 | 1.3162 | NA | 1.1079 | 0.9220 | NA | 1.2594 | 2.0690 | 0.8932 | 0.3185 | 1.3120 | 0.2405 | NA | 0.6678 |
| kifunensine | 0.9246 | 0.8353 | 0.9312 | 0.1976 | 0.2391 | 0.2238 | 0.3087 | 0.3367 | 0.2849 | 0.9730 | 1.3491 | 1.1153 | 2.1607 | 3.3085 | 1.8115 |
| Lactic acid | 0.6974 | 0.5927 | 0.6981 | 2.0606 | 0.8291 | 0.7137 | 1.0964 | 1.0205 | 0.6882 | 1.0490 | 0.7014 | 0.9361 | 0.9008 | 1.4389 | 1.5770 |
| Lysergic acid | 1.2386 | 1.0370 | 0.5187 | 0.9817 | 1.8875 | 0.9992 | 1.1571 | 1.0871 | 0.6618 | 0.8492 | 0.9016 | 0.7480 | 0.7874 | 1.0355 | 1.1096 |
| Lys/Lys/Trp/Pro | 0.9254 | 0.8885 | 1.1689 | 1.0312 | 1.0447 | 0.8653 | 0.7034 | 0.8862 | 0.9093 | 1.0089 | 1.1743 | 1.1576 | 0.8894 | 1.3036 | 1.0431 |
| Lys/Lys/Tyr/Tyr | 1.6395 | 1.0167 | 1.1721 | 0.8854 | 0.6804 | 0.4884 | 1.1275 | 1.1368 | 1.0425 | 0.8889 | 1.8422 | 1.4231 | 0.6645 | 0.6008 | 0.3911 |
| Lysyl-Asparagine | 2.5739 | 2.3105 | 2.2950 | 0.4711 | 0.4818 | 0.5693 | 1.0341 | 0.7047 | 1.0851 | 0.6120 | 1.2305 | 0.8484 | 0.2440 | 0.3381 | 0.2014 |
| Lysyl-Glycine | 1.9283 | 1.9261 | 2.5593 | 0.3752 | 0.4853 | 0.5017 | 0.8300 | 0.7326 | 0.6386 | 0.9040 | 1.2152 | 0.7944 | 0.6777 | 0.8255 | 0.6063 |
| Lysyl-Serine | 2.2217 | 2.1319 | 2.9083 | 0.4356 | 0.4276 | 0.3935 | 0.7048 | 0.7139 | 0.6436 | 0.5927 | 0.9705 | 0.6675 | 0.7523 | 0.8195 | 0.6167 |
| Lysyl-Threonine | 2.4958 | 2.4853 | 2.8513 | 0.2382 | 0.2792 | 0.2746 | 0.4742 | 0.4263 | 0.4897 | 0.4305 | 0.7002 | 0.4721 | 1.0509 | 1.3076 | 1.0241 |
| Lysyl-Valine | 2.6382 | 2.4961 | 2.4918 | 0.1619 | 0.1962 | 0.2087 | 0.3636 | 0.3396 | 0.2674 | 0.4860 | 0.6284 | 0.5474 | 1.3509 | 1.7840 | 1.0398 |
| Malic acid | 0.6269 | 0.7485 | 0.9840 | 1.0655 | 1.1957 | 0.9253 | 0.6658 | 0.9879 | 0.6122 | 1.4223 | 1.7138 | 1.5393 | 0.7716 | 0.9481 | 0.7932 |
| Mannitol | 1.2813 | 1.3536 | 0.2059 | 2.0799 | 0.1333 | 0.1116 | 1.5210 | 1.4710 | 0.0695 | 1.7013 | 0.8613 | 0.0824 | 1.8127 | 2.2090 | 0.1061 |
| Melanin | 0.8750 | 0.9997 | 1.0960 | 0.9751 | 1.0135 | 0.8325 | 0.8985 | 1.0548 | 0.9002 | 0.9210 | 1.3901 | 0.9697 | 0.9353 | 1.2472 | 0.8913 |
| mercapto-2-propanol | 1.0903 | NA | 1.0918 | NA | NA | 1.2492 | NA | 0.8248 | 1.2326 | 1.1110 | 1.0274 | 0.7950 | 0.9230 | 0.7921 | 0.8630 |
| meso-tartrate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Met/Cys/Cys | 0.8891 | 0.9647 | 0.8238 | 1.9338 | 0.8867 | 0.8829 | 0.9981 | 1.1440 | 0.9394 | 1.1512 | 1.1346 | 1.0756 | 0.5938 | 0.7312 | 0.8512 |
| Methionyl-Valine | 0.4466 | 0.2707 | 0.6522 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.5799 | 1.5589 | 1.4917 |
| methyl dihydroxy-11R,18-diacetoxy-prostadienoate | 0.2608 | 0.6638 | 1.9905 | 1.6634 | 0.8693 | 1.4125 | 1.5485 | 0.5184 | 1.2383 | 0.8491 | 0.7990 | 0.8946 | 0.2919 | NA | NA |
| monomer | 0.9869 | 1.0059 | 0.9643 | 0.9799 | 1.0510 | 1.0351 | 0.9872 | 1.0763 | 1.0493 | 0.9297 | 0.9787 | 0.9304 | 1.0257 | 1.0252 | 0.9743 |
| Monomethyl sulfate | 0.1462 | 0.2050 | 0.1666 | 0.2865 | 0.2313 | 0.1712 | 0.1735 | 0.2452 | 0.1685 | 0.3681 | 0.2606 | 0.2441 | 0.2372 | 11.8601 | 0.2359 |
| Myristic acid | 0.9610 | 1.0513 | 0.8070 | 1.1031 | 1.1249 | 0.8461 | 1.2293 | 1.5609 | 0.8498 | 1.0909 | 0.9066 | 0.7546 | 0.7251 | 0.8375 | 1.1520 |
| N2-gamma-Glutamylglutamine | 1.4119 | 1.4989 | 1.6751 | 0.0948 | 0.1726 | 0.1825 | 0.3154 | 0.2902 | 0.2468 | 0.3671 | 0.5439 | 0.5095 | 2.1441 | 2.9561 | 2.5910 |
| N2-Succinyl-L-ornithine | 1.1836 | 1.2408 | 2.4633 | 0.0575 | 0.0643 | 0.0541 | 0.1331 | 0.1059 | 0.0964 | 0.1900 | 0.2995 | 0.1946 | 2.7269 | 3.6456 | 2.5444 |
| N-(4-oxoglutaryl)-L-cysteinylglycine | 0.5312 | 0.4144 | 0.5811 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.4563 | 1.7924 | 1.2246 |
| N6-Acetyl-N6-hydroxy-L-lysine | 1.7101 | 1.8087 | 2.0986 | 0.2265 | 0.2828 | 0.2789 | 0.3997 | 0.4271 | 0.4114 | 0.3984 | 0.7204 | 0.6149 | 1.8571 | 2.0496 | 1.7157 |
| N-a-Acetylcitrulline | 2.1255 | 1.9573 | 2.3946 | 0.1378 | 0.1546 | 0.1611 | 0.3383 | 0.3254 | 0.3413 | 0.4099 | 0.5535 | 0.5250 | 1.7173 | 2.1975 | 1.6609 |
| N-Acetylglucosamine 6-phosphate | 0.1436 | 0.1907 | 0.1780 | 2.1777 | 2.5058 | 2.0750 | 0.1647 | 0.1668 | 0.1294 | 0.2051 | 0.2255 | 0.1873 | 2.1401 | 2.5017 | 2.0085 |
| N-Acetylglutamic acid | 1.1005 | 0.9036 | 1.8407 | 1.2680 | 1.2031 | 0.5374 | 1.0698 | 1.0435 | 0.6439 | 0.8842 | 1.7327 | 0.9150 | 0.5588 | 0.7295 | 0.5693 |
| N-Acetylleucine | 1.1046 | 1.0503 | 1.3417 | 1.3838 | 0.9985 | 0.7117 | 0.8131 | 0.8112 | 0.8079 | 0.6848 | 1.2436 | 0.7866 | 0.8396 | 1.6555 | 0.7672 |
| N-Acetyl-L-methionine | 1.1581 | 1.3008 | 0.9546 | 1.1413 | 1.0935 | 0.6260 | 0.9072 | 1.0840 | 0.8215 | 1.7903 | 1.7888 | 1.1029 | 0.3198 | 0.5078 | 0.4034 |
| N-Acetylornithine | 1.2853 | 1.3759 | 1.5477 | 0.4988 | 0.5339 | 0.5030 | 0.6692 | 0.8219 | 0.4385 | 0.8839 | 1.0774 | 0.9392 | 1.5018 | 1.5770 | 1.3465 |
| NADP | 1.2426 | 1.0354 | 1.4825 | 0.6778 | 0.9347 | 0.8740 | 1.0107 | 1.1543 | 0.8533 | 0.8778 | 1.2540 | 0.8245 | 0.8652 | 1.1503 | 0.7630 |
| N-D-Glucosylarylamine | 0.7479 | 0.9243 | 0.9471 | 1.1851 | 1.2192 | 0.7280 | 0.8954 | 0.9692 | 1.0585 | 1.1302 | 0.8358 | 0.9451 | 0.9901 | 1.3069 | 1.1172 |
| nicotinate beta-D-ribonucleotide | 0.8675 | 1.0695 | 0.8834 | 0.8479 | 0.9095 | 0.7616 | 0.8139 | 0.9775 | 0.6974 | 0.9238 | 1.1530 | 1.0079 | 1.2690 | 1.5484 | 1.2697 |
| Nicotinic acid adenine dinucleotide | 1.1149 | 1.0753 | 1.2256 | 1.0930 | 0.9916 | 0.8695 | 1.0842 | 1.0731 | 1.0111 | 0.8538 | 1.2458 | 0.7235 | 0.9320 | 0.9333 | 0.7731 |
| N-lactoyl-Tryptophan | 0.2272 | 0.2911 | 0.3255 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.5793 | 2.0779 | 1.4989 |
| N-Lignoceroylsphingosine | 1.1572 | 0.9362 | 0.9710 | 1.1570 | 0.8484 | 0.7463 | 0.9416 | 1.0331 | 0.8368 | 1.1845 | 1.1430 | 1.1412 | 0.9224 | 0.9757 | 1.0055 |
| N-Palmitoylsphingosine | 0.7966 | 1.0159 | 0.9551 | 1.0690 | 1.0816 | 0.5612 | 0.8455 | 1.1934 | 0.8588 | 1.1110 | 1.0546 | 1.1016 | 0.9454 | 1.4101 | 1.0002 |
| N-Succinyl-L-glutamate | 1.1931 | 1.1720 | 1.6977 | 1.0714 | 0.9205 | 0.7409 | 1.1829 | 1.2747 | 0.9070 | 1.0913 | 1.8858 | 1.0848 | 0.2036 | 0.3063 | 0.2681 |
| N-Undecanoylglycine | 1.3652 | 0.7401 | 0.9809 | 1.5671 | 0.6773 | 0.6876 | 1.1618 | 1.1816 | 1.0028 | 1.1597 | 0.7937 | 0.6752 | 0.9665 | 0.8275 | 1.2132 |
| N-Undecylbenzenesulfonic acid | 1.0666 | 0.9587 | 1.2246 | 0.9399 | 1.4329 | 0.8625 | 0.4271 | 1.7896 | 0.6566 | 0.9935 | 1.1104 | 1.1206 | 0.5539 | 1.1620 | 0.7012 |
| octadecadienoic acid | 0.9627 | 1.0063 | 0.9355 | 1.0962 | 1.1247 | 0.9701 | 1.0063 | 1.0036 | 1.0953 | 0.9500 | 0.9070 | 0.9231 | 1.0639 | 0.9643 | 0.9909 |
| Oleic acid | 0.9227 | 1.0199 | 0.9411 | 1.2077 | 1.1208 | 0.8197 | 1.2969 | 1.3831 | 1.0369 | 1.0367 | 1.2910 | 1.0302 | 0.3429 | 1.2017 | 0.3487 |
| O-Phosphoethanolamine | 0.7720 | 0.9080 | 0.9191 | 0.8290 | 1.0694 | 0.7737 | 0.7493 | 0.8302 | 0.8363 | 0.8495 | 1.1803 | 0.8551 | 1.4304 | 1.7413 | 1.2563 |
| Orotic acid | 0.3728 | 0.5881 | 0.5135 | 1.3006 | 1.4325 | 0.6458 | 1.0865 | 1.5816 | 0.5739 | 1.6449 | 1.9380 | 1.5158 | NA | 0.4830 | 0.3231 |
| Orotidine | 0.7298 | 0.8423 | 1.0517 | 1.9539 | 0.9497 | 0.8187 | 0.6369 | 0.7549 | 0.5864 | 1.4959 | 0.8698 | 0.9827 | 0.9750 | 1.1268 | 1.2254 |
| Oxidized glutathione | 1.0049 | 0.8728 | 1.2262 | 0.8284 | 1.2657 | 0.8140 | 0.7496 | 1.2492 | 0.5294 | 1.6860 | 1.4686 | 1.0299 | 0.6818 | 0.8540 | 0.7395 |
| Oxoglutaric acid | 0.4569 | 0.4908 | 0.5120 | 1.3149 | 1.6036 | 1.1804 | 0.7336 | 0.9648 | 0.5856 | 1.8851 | 1.6683 | 1.0942 | 0.7837 | 0.9215 | 0.8046 |
| PA(16:0/18:1) | 0.9460 | 1.0427 | 0.8404 | 1.1920 | 1.0206 | 0.9412 | 0.8781 | 1.1579 | 0.9153 | 1.0631 | 1.1842 | 1.1484 | 0.8441 | 0.9413 | 0.8848 |
| PA(16:0/18:2) | 1.0759 | 0.9285 | 0.8865 | 1.3247 | 0.9884 | 0.7860 | 0.7491 | 1.1321 | 0.9181 | 1.0119 | 1.1246 | 1.0264 | 0.8146 | 1.1382 | 1.0949 |
| PA(16:0/20:4) | 0.8333 | 1.1612 | 0.9799 | 1.3747 | 0.7498 | 0.7763 | 0.8653 | 0.7897 | 1.0579 | 1.1105 | 1.3952 | 0.9738 | 0.8337 | 1.0390 | 1.0599 |
| PA(16:0/22:2) | 1.0901 | 1.0035 | 1.1879 | 0.8996 | 1.2135 | 1.0050 | 0.5772 | 1.4813 | 0.9198 | 0.9119 | 1.0006 | 1.0233 | 0.6851 | 1.0096 | 0.9914 |
| PA(18:0/18:2) | 0.9697 | 0.8849 | 0.9161 | 1.0318 | 1.1887 | 0.7544 | 0.9821 | 0.8221 | 0.9109 | 1.1398 | 1.0838 | 1.1707 | 0.8415 | 1.2153 | 1.0883 |
| Palmitic acid | 0.9661 | 1.0250 | 0.8353 | 1.0750 | 1.2133 | 0.8737 | 0.6662 | 1.6519 | 0.9715 | 1.0435 | 0.9667 | 0.7455 | 0.8095 | 1.0815 | 1.0751 |
| PA(P-42:4) | 1.0182 | 1.0919 | 1.0991 | 1.1284 | 1.0351 | 0.9456 | 0.9597 | 0.9385 | 0.9880 | 0.9248 | 0.9770 | 0.9609 | 0.9503 | 0.9349 | 1.0478 |
| PC(29:1) | 1.2167 | 1.0686 | 0.8151 | 0.7384 | 1.0979 | 0.7395 | 1.2710 | 1.2133 | 1.3528 | 1.0673 | 0.9962 | 1.0086 | 0.8373 | 0.8930 | 0.6843 |
| PC(35:6) | 1.0496 | 0.9266 | 1.1594 | 0.9362 | 1.2997 | 0.9706 | 0.9990 | 0.9671 | 1.1719 | 0.8291 | 0.8098 | 0.9096 | 0.8671 | 1.1421 | 0.9624 |
| PE(14:0/22:4) | 1.0838 | 1.0247 | 1.0499 | 0.9127 | 1.2615 | 0.8681 | 0.9919 | 1.0745 | 0.9548 | 0.9561 | 1.0814 | 0.9698 | 0.9015 | 0.9618 | 0.9077 |
| PE(16:1/18:1) | 1.0655 | 1.2111 | 1.1689 | 0.8121 | 1.0081 | 0.9699 | 1.0738 | 1.0738 | 1.0481 | 1.0595 | 0.8710 | 1.0707 | 0.8880 | 0.8896 | 0.7901 |
| PE(18:0/16:1) | 1.0393 | 1.1320 | 1.1039 | 0.9117 | 1.0218 | 0.9075 | 1.1020 | 1.0384 | 0.9767 | 0.9638 | 1.2679 | 1.0583 | 0.7544 | 0.9246 | 0.7975 |
| PE(18:0/18:1) | 1.1610 | 1.0436 | 0.7563 | 0.8145 | 1.3049 | 0.9766 | 0.9976 | 1.0090 | 0.9563 | 0.9607 | 1.1305 | 0.9717 | 0.9023 | 1.0337 | 0.9814 |
| PE(18:1/18:1) | 1.0786 | 1.1623 | 0.9906 | 0.9018 | 1.2397 | 0.8964 | 0.9152 | 1.1346 | 0.9738 | 1.0012 | 0.9147 | 0.8832 | 0.9276 | 1.0266 | 0.9540 |
| PE(18:1/18:4) | 1.1126 | 1.1355 | 1.0170 | 0.7198 | 1.0605 | 0.9053 | 0.9780 | 1.1297 | 1.0226 | 0.9333 | 1.2052 | 0.8733 | 0.9540 | 1.0322 | 0.9209 |
| PE(18:2/16:1) | 1.1135 | 1.1733 | 1.2299 | 0.7675 | 1.0992 | 0.9627 | 1.2032 | 1.3322 | 1.0482 | 0.7277 | 1.0603 | 0.9393 | 0.7398 | 0.8709 | 0.7323 |
| PE(18:3/P-18:1) | 1.3281 | 0.9764 | 1.0707 | 0.9928 | 1.3636 | 0.6992 | 0.8920 | 1.0378 | 0.8908 | 0.9707 | 1.0404 | 0.8626 | 0.8514 | 1.0054 | 1.0181 |
| PE-NMe(11M3/11M5) | 0.9671 | 1.0130 | 1.0860 | 1.1757 | 0.9590 | 0.8090 | 0.8777 | 1.0190 | 0.8903 | 0.9791 | 1.2835 | 1.1369 | 0.8446 | 1.0279 | 0.9312 |
| PE(O-18:1/20:4) | 1.1870 | 1.1037 | 0.8977 | 1.1876 | 1.2267 | 0.8551 | 0.8961 | 0.9867 | 0.9029 | 0.9446 | 1.0149 | 0.8966 | 0.8834 | 0.9954 | 1.0216 |
| PG(16:0/22:5) | 1.0440 | 1.0032 | 1.3079 | 0.7046 | 0.8966 | 0.7138 | 1.0031 | 1.0927 | 0.8653 | 0.9670 | 1.2735 | 1.0844 | 0.9650 | 1.1599 | 0.9191 |
| PG(18:0/18:1) | 1.1198 | 1.1591 | 1.1571 | 0.6832 | 0.8368 | 0.7294 | 1.1382 | 1.1149 | 0.9488 | 0.9788 | 1.2890 | 1.0836 | 0.8306 | 1.0205 | 0.9100 |
| PG(18:0/18:2) | 1.1362 | 1.1527 | 1.2611 | 0.7044 | 0.8501 | 0.7478 | 1.0686 | 1.0402 | 0.8303 | 0.9031 | 1.3800 | 0.9749 | 0.9234 | 1.1416 | 0.8856 |
| PG(18:0/22:5) | 1.2034 | 1.1564 | 1.2044 | 0.6395 | 0.8177 | 0.7412 | 0.9788 | 1.0045 | 0.8260 | 0.8408 | 1.5404 | 0.9983 | 1.0996 | 1.0918 | 0.8572 |
| PG(18:2/22:4) | 1.0086 | 1.1398 | 1.1554 | 0.6709 | 0.9527 | 0.8710 | 0.8507 | 1.3115 | 0.8681 | 1.0989 | 0.8724 | 0.9500 | 0.9224 | 1.4206 | 0.9070 |
| PG(34:1) | 1.1651 | 1.1429 | 1.1501 | 0.7001 | 0.9116 | 0.7010 | 0.9869 | 1.0284 | 0.8272 | 0.9634 | 1.2868 | 1.0064 | 0.9519 | 1.1714 | 1.0069 |
| PG(34:2) | 1.1024 | 1.2249 | 1.1663 | 0.7651 | 0.8606 | 0.6903 | 1.1018 | 1.0900 | 0.8721 | 0.9801 | 1.2594 | 0.8925 | 0.9174 | 1.1695 | 0.9077 |
| Phe/Lys/Met/Met/Trp | 1.4336 | 1.0226 | 0.5062 | 0.6119 | 1.1087 | 1.4309 | 0.6678 | 1.1295 | 1.1701 | 1.2390 | 1.4441 | 0.7857 | 0.7422 | 0.9096 | 0.7980 |
| Phenolsulfonphthalein | 1.0522 | 0.9633 | 0.8328 | 1.3714 | 0.8719 | 0.6478 | 0.8874 | 1.0356 | 0.8481 | 1.1512 | 1.0855 | 1.0322 | 0.9242 | 1.2423 | 1.0542 |
| Phenylacetaldehyde | 1.2663 | 0.9339 | 0.5715 | 1.0366 | 2.0959 | 1.2962 | 1.0089 | 1.3709 | 0.7442 | 0.7719 | 0.8174 | 0.6400 | 0.5836 | 0.8254 | 1.0374 |
| Phenylacetic acid | 1.1643 | 2.2970 | 0.1208 | 1.0827 | 0.6180 | 0.6932 | 0.9681 | 2.0993 | 0.1373 | 1.4153 | 0.9296 | 0.8158 | 0.7607 | 0.8101 | 1.0878 |
| Phenylalanine | 1.3887 | 1.4308 | 0.9317 | 1.4321 | 0.7300 | 0.5975 | 0.6137 | 0.8584 | 0.5437 | 1.2555 | 1.0928 | 0.8297 | 0.9009 | 1.1367 | 1.2577 |
| Phenylalanyl-Aspartate | 2.6635 | 2.4677 | 2.1477 | 0.1290 | 0.1270 | 0.1570 | 0.2800 | 0.2479 | 0.2220 | 0.2266 | 0.4013 | 0.2729 | 1.7860 | 2.3417 | 1.5298 |
| Phenylalanyl-Glycine | 0.8729 | 0.7153 | 0.9224 | NA | NA | NA | 0.2277 | 0.1386 | 0.1302 | NA | 0.1604 | 0.2499 | 2.3692 | 2.9109 | 2.3023 |
| Phenylalanyl-Threonine | 0.4950 | 0.4448 | 0.4325 | NA | NA | NA | NA | NA | NA | NA | 0.0770 | 0.0911 | 1.9680 | 2.6374 | 1.8542 |
| phosphinomethylisomalate | 0.8863 | 0.8435 | 0.9465 | 0.9120 | 0.9676 | 0.8626 | 0.8715 | 0.9831 | 0.7319 | 0.9426 | 1.3494 | 0.9928 | 1.2013 | 1.3263 | 1.1827 |
| Phosphodimethylethanolamine | 0.7244 | 0.6943 | 1.3527 | 1.0293 | 0.8833 | 0.6737 | 0.7020 | 0.7389 | 0.6503 | 0.7783 | 1.7459 | 0.8757 | 1.2836 | 1.7723 | 1.0952 |
| Phosphoenolpyruvic acid | 0.3784 | 0.5137 | 0.5995 | 0.7779 | 0.8139 | 0.4804 | 0.7018 | 0.5474 | 0.4396 | 0.8425 | 0.6099 | 0.5019 | 2.8711 | 2.5183 | 2.4036 |
| Phytuberin | 0.7332 | 1.5634 | 1.7807 | 0.6174 | 1.6792 | 2.3260 | 1.5209 | 1.0648 | 0.4932 | 0.6238 | 0.6917 | 0.6767 | 0.4051 | 0.3860 | 0.4380 |
| PI(14:0/22:1) | 1.0165 | 1.0772 | 1.0180 | 0.8575 | 1.0142 | 0.8486 | 0.9273 | 0.9627 | 0.8926 | 1.0877 | 1.3713 | 1.2684 | 0.8722 | 0.9140 | 0.8718 |
| PI(18:1/20:4) | 0.9960 | 1.1159 | 1.0102 | 0.9080 | 1.1076 | 0.9979 | 1.0256 | 0.9848 | 0.8980 | 1.0470 | 1.2112 | 1.1487 | 0.8522 | 0.9521 | 0.7448 |
| PI(18:2/18:0) | 1.0403 | 1.1505 | 1.0255 | 0.8986 | 0.9899 | 0.8617 | 0.9442 | 1.1138 | 0.9702 | 1.0053 | 1.3412 | 1.1088 | 0.7526 | 0.9799 | 0.8176 |
| PI(18:2/20:2) | 0.9740 | 1.0762 | 1.0172 | 1.2635 | 1.0067 | 0.8617 | 0.8836 | 0.9821 | 0.7939 | 1.0458 | 1.1152 | 1.0412 | 0.9183 | 1.0486 | 0.9720 |
| PI(20:0/20:3) | NA | NA | 0.2031 | 0.1939 | 0.4484 | NA | NA | NA | NA | 0.5123 | 0.6196 | 0.5359 | 1.3963 | 2.6161 | 2.4744 |
| Pilosine | 0.7083 | 1.8098 | NA | 0.9365 | 0.7476 | NA | 0.7779 | 1.8554 | NA | 1.5972 | 0.2276 | NA | 0.6035 | 0.7361 | NA |
| Pipercyclobutanamide A | 0.9754 | 1.0443 | 0.9292 | 1.0756 | 1.0003 | 0.7480 | 0.9930 | 0.8457 | 1.1099 | 0.9782 | 1.0571 | 1.0226 | 1.0141 | 1.0038 | 1.2027 |
| Polypropylene glycol (m w 1,200-3,000) | 0.2299 | 0.6845 | 0.6915 | 0.3499 | 0.8673 | 0.7082 | 4.3776 | 1.4105 | 0.2980 | 0.2307 | 0.7059 | 0.3948 | 0.4732 | 2.0583 | 1.5197 |
| Polystyrene sulfonate | 1.0592 | 0.9737 | 1.1865 | 1.0271 | 1.3629 | 1.0218 | 0.3168 | 2.0556 | 0.6332 | 0.9687 | 1.2232 | 1.0203 | 0.3999 | 1.0786 | 0.6726 |
| Prehumulinic acid | 0.4100 | 0.5042 | 1.9000 | 2.6707 | 0.2446 | 1.3200 | 1.9490 | 0.2821 | 1.1002 | 1.0203 | 0.7139 | 0.7607 | 0.1240 | NA | NA |
| Prolyl-Histidine | 2.3436 | 2.2310 | 2.5421 | 0.1618 | 0.2273 | 0.2433 | 0.3589 | 0.4068 | 0.3400 | 0.4465 | 0.8005 | 0.7214 | 1.3007 | 1.5558 | 1.3202 |
| Pro/Pro/Ser/Thr/Thr | 2.1908 | 1.8338 | 2.2653 | 0.2234 | 0.2807 | 0.2988 | 0.5110 | 0.5306 | 0.2779 | 0.7169 | 0.9772 | 0.7819 | 1.1311 | 1.8225 | 1.1580 |
| PS(16:0/22:6) | 0.9801 | 1.2618 | 0.8809 | 0.8892 | 0.9103 | 0.8902 | 0.9775 | 1.1077 | 1.1401 | 1.0774 | 1.2695 | 1.0548 | 0.7776 | 0.9716 | 0.8115 |
| PS(16:1/18:0) | 1.0334 | 1.0792 | 0.9796 | 0.8661 | 1.0305 | 0.7981 | 1.0423 | 1.0978 | 0.9994 | 1.0636 | 1.3371 | 1.2140 | 0.7545 | 0.9323 | 0.7724 |
| PS(18:1/18:0) | 1.0567 | 1.0281 | 1.0212 | 0.8972 | 0.9804 | 0.8166 | 0.9530 | 0.9633 | 0.9210 | 1.0121 | 1.3071 | 1.2034 | 0.9349 | 1.0385 | 0.8663 |
| PS(18:1/18:1) | 1.1236 | 1.0485 | 1.0523 | 0.8735 | 0.9941 | 0.8390 | 0.9385 | 1.0116 | 0.9370 | 1.0248 | 1.3500 | 1.1567 | 0.8485 | 1.0013 | 0.8005 |
| PS(18:1/18:2) | 1.1227 | 1.1476 | 1.0239 | 0.7720 | 0.9725 | 0.8138 | 1.0760 | 0.9901 | 0.9651 | 0.9854 | 1.3478 | 1.1852 | 0.7554 | 0.9280 | 0.9145 |
| PS(18:1/20:3) | 0.9570 | 0.9695 | 1.0546 | 1.1025 | 0.9624 | 0.8432 | 0.8758 | 0.9770 | 0.8993 | 1.0665 | 1.1845 | 1.0920 | 0.9632 | 1.0843 | 0.9683 |
| PS(18:1/20:4) | 0.9405 | 0.9958 | 1.0256 | 0.9289 | 0.9903 | 0.8704 | 1.0065 | 1.0014 | 0.9234 | 1.0539 | 1.2735 | 1.0847 | 0.9106 | 1.0857 | 0.9089 |
| PS(18:2/16:0) | 0.9721 | 1.2288 | 0.9408 | 0.7813 | 1.0741 | 0.9786 | 0.9861 | 1.0929 | 0.9946 | 0.8907 | 1.5288 | 1.2036 | 0.7549 | 0.8066 | 0.7663 |
| PS(18:3/18:1) | 0.9863 | 1.0702 | 1.0236 | 0.9080 | 1.1357 | 0.8363 | 0.9710 | 1.1024 | 1.0421 | 1.0565 | 1.2211 | 1.0970 | 0.7608 | 0.9621 | 0.8269 |
| PS(O-16:0/22:1) | 1.0674 | 1.1289 | 1.0015 | 0.7400 | 1.0308 | 0.9719 | 0.9471 | 0.9596 | 0.9777 | 0.9542 | 1.1637 | 1.0662 | 0.9034 | 1.0627 | 1.0250 |
| PS(O-36:1) | 0.9817 | 1.0059 | 1.0651 | 0.9119 | 1.0413 | 0.8844 | 0.9219 | 0.9989 | 0.9225 | 1.0455 | 1.0742 | 1.0718 | 0.9934 | 1.0503 | 1.0311 |
| Quinalphos | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Quinic acid | 0.7913 | 0.9191 | 1.1750 | 2.3224 | 0.8189 | 0.7283 | 0.4997 | 0.6962 | 0.6476 | 1.4357 | 0.9434 | 1.0465 | 0.8202 | 0.9860 | 1.1697 |
| Retinyl ester | 0.8651 | 1.0833 | 0.8590 | 0.9254 | 0.7896 | 0.8204 | 1.1231 | 1.0155 | 0.8626 | 0.8923 | 1.1101 | 1.1775 | 0.7662 | 1.8570 | 0.8529 |
| Retronecine | 0.9573 | 0.9255 | 1.1355 | 0.6717 | 1.2775 | 0.7484 | 1.0199 | 1.3145 | 1.1733 | 1.1949 | 0.9400 | 0.7273 | 0.8834 | 0.9309 | 1.0999 |
| Ribose 5-phosphate | 0.5912 | 0.6242 | 0.6000 | 0.6072 | 1.0881 | 0.8819 | 0.4452 | 0.7074 | 0.4418 | 0.7424 | 0.9800 | 0.9542 | 2.2142 | 2.1922 | 1.9301 |
| Rishitin | 0.7501 | 1.4499 | 1.6602 | 0.5417 | 1.6994 | 2.2315 | 1.4230 | 1.0844 | 0.5687 | 0.6491 | 0.7558 | 0.6923 | 0.5046 | 0.4300 | 0.5593 |
| Scytalone | 1.0041 | 1.0886 | 1.0467 | 0.7250 | 1.4294 | 0.8169 | 1.0791 | 1.0115 | 1.0551 | 0.8743 | 0.8145 | 1.0010 | 0.9843 | 1.0104 | 1.0593 |
| Secobarbital | 1.0486 | 1.0260 | 1.1443 | 0.7884 | 0.6313 | 0.6366 | 1.0042 | 1.0303 | 1.1658 | 1.1599 | 1.0983 | 1.0412 | 1.0416 | 1.0154 | 1.1682 |
| Sedoheptulose 7-phosphate(2-) | 0.8338 | 0.8593 | 1.0619 | 1.2873 | 1.4208 | 1.0437 | 0.9648 | 1.0545 | 0.8069 | 1.1104 | 1.1409 | 0.9278 | 0.7714 | 0.8806 | 0.8359 |
| Serine | 0.8649 | 1.1242 | 1.2145 | 1.8742 | 0.9630 | 0.7877 | 0.6394 | 1.0027 | 0.7632 | 1.3118 | 0.9847 | 1.0370 | 0.6724 | 0.8198 | 0.9405 |
| Serylhistidine | 2.2649 | 2.1455 | 2.5311 | 0.2817 | 0.2496 | 0.3142 | 0.3734 | 0.3687 | 0.4045 | 0.3861 | 0.5978 | 0.5223 | 1.5718 | 1.7029 | 1.2855 |
| Serylserine | 1.6416 | 1.6018 | 1.8528 | 0.5134 | 0.7153 | 0.6673 | 0.6021 | 0.8150 | 0.6705 | 0.7989 | 1.1539 | 0.8030 | 0.9874 | 1.1888 | 0.9883 |
| sn-glycero-3-phospho-N-(palmitoyl)ethanolamine | 0.9340 | 1.1960 | 1.3394 | 0.9769 | 1.0410 | 0.9045 | 1.3610 | 0.9872 | 1.1082 | 1.0722 | 1.3009 | 1.1749 | 0.4687 | 0.6263 | 0.5089 |
| sodium dodecyl sulfate | 0.6529 | 0.9317 | 1.0008 | 0.6603 | 1.6382 | 0.8326 | 0.5055 | 2.5011 | 1.1344 | 0.9869 | 1.4607 | 0.7440 | 0.4737 | 0.7147 | 0.7626 |
| Sorbitol-6-phosphate | 0.9162 | 0.9780 | 1.2340 | 1.1109 | 0.7861 | 0.7275 | 0.8156 | 1.0106 | 0.7019 | 1.1363 | 1.0984 | 1.0763 | 1.0818 | 1.1295 | 1.1968 |
| Sphinganine 1-phosphate | 0.6556 | 0.6745 | 0.6866 | 1.2726 | 1.1499 | 1.0239 | 0.7557 | 0.7617 | 0.5680 | 1.0341 | 0.9888 | 1.1086 | 1.1024 | 1.5097 | 1.7079 |
| [ST (12:0) homo-seco-cholestatrien-tetrol | 0.9802 | 1.0638 | 1.4673 | 0.6050 | 0.6093 | 0.6564 | 0.6191 | 0.6312 | 0.5937 | 0.8328 | 0.9467 | 0.6442 | 1.8217 | 1.8239 | 1.7046 |
| Stearic acid | 1.0867 | 1.0749 | 0.8901 | 1.0709 | 1.1252 | 0.9157 | 0.6928 | 1.5898 | 0.9758 | 0.9230 | 1.0169 | 0.8254 | 0.7734 | 0.9615 | 1.0780 |
| Suberic acid | 1.5271 | 0.8984 | 0.9925 | 1.4565 | 0.7964 | 0.6471 | 0.9413 | 0.9445 | 1.1162 | 1.3974 | 1.4688 | 0.7643 | 1.0830 | 0.5957 | 0.3709 |
| Succinic acid | 0.7537 | 0.7505 | 0.7786 | 0.9754 | 1.0052 | 0.8804 | 0.8283 | 1.1730 | 0.7765 | 1.0718 | 1.3119 | 1.2639 | 1.0197 | 1.2368 | 1.1742 |
| Sulfinpyrazone sulfide | 1.3982 | 1.1646 | 1.2543 | 0.9549 | 0.9573 | 0.8049 | 1.4464 | 1.0438 | 1.0953 | 0.9650 | 1.2972 | 0.8448 | 0.5926 | 0.6800 | 0.5007 |
| Sulfoacetate | 0.9713 | 0.9593 | 1.0182 | 1.1225 | 1.1002 | 0.7840 | 1.0654 | 1.0378 | 0.8229 | 1.2062 | 1.0173 | 0.7486 | 1.0930 | 1.0250 | 1.0284 |
| Threonine | 1.3592 | 1.4454 | 0.9820 | 1.3367 | 0.8188 | 0.6515 | 0.6369 | 0.7839 | 0.7047 | 1.3607 | 1.0661 | 1.0576 | 0.8307 | 0.9631 | 1.0027 |
| Threoninyl-Histidine | 2.0654 | 1.9466 | 2.1287 | 0.1120 | 0.0841 | 0.0960 | 0.2248 | 0.1515 | 0.2249 | 0.3201 | 0.4431 | 0.3268 | 2.1721 | 2.6059 | 2.0982 |
| Threoninyl-Serine | 1.5758 | 1.3647 | 1.7507 | 0.2665 | 0.2540 | 0.2773 | 0.4023 | 0.4430 | 0.4151 | 0.4429 | 0.8013 | 0.6333 | 2.0348 | 2.3411 | 1.9972 |
| Threoninyl-Threonine | 2.1444 | 2.0910 | 2.3273 | 0.1565 | 0.1731 | 0.1815 | 0.2860 | 0.2029 | 0.2198 | 0.2977 | 0.4513 | 0.3007 | 1.8317 | 2.4459 | 1.8901 |
| Threoninyl-Tyrosine | 0.6333 | 0.7365 | 0.7862 | NA | NA | NA | NA | NA | NA | NA | 0.3358 | NA | 1.4070 | 1.7202 | 1.3810 |
| Thr/Thr/Ser | 1.0509 | 1.1804 | 1.3511 | NA | 0.1183 | 0.1031 | 0.1239 | 0.1408 | 0.1323 | 0.5112 | 0.7627 | 0.6596 | 2.2897 | 3.7569 | 1.8191 |
| Thr/Trp/Pro | 0.9665 | 0.9307 | 1.2090 | NA | NA | NA | NA | NA | NA | 0.0842 | 0.1402 | 0.0850 | 1.8084 | 2.1709 | 1.6052 |
| Trigonelline | 0.9463 | 1.0624 | 0.8209 | 1.3016 | 0.9796 | 0.9022 | 0.9057 | 1.1245 | 0.7978 | 1.2810 | 1.1094 | 1.1133 | 0.8257 | 0.9530 | 0.8764 |
| Tryptophan | 0.9684 | 0.9838 | 1.0810 | 1.2355 | 0.9908 | 1.0904 | 0.8528 | 1.1976 | 1.2801 | 1.0501 | 0.4081 | 0.7439 | 1.1245 | 1.0673 | 0.9255 |
| Tryptophyl-Asparagine | 1.0505 | 1.0872 | 1.3436 | NA | NA | NA | NA | NA | NA | NA | 0.5287 | 0.2615 | 0.9969 | 1.6318 | 1.0996 |
| Tryptophyl-Glycine | 0.3297 | 0.3928 | 0.6655 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.4258 | 1.8388 | 1.3474 |
| Tyrosine | 0.9838 | 1.1113 | 1.0688 | 2.0104 | 0.7496 | 0.5756 | 0.6125 | 0.8903 | 0.6090 | 1.4081 | 0.9952 | 1.0476 | 0.7727 | 1.0229 | 1.1422 |
| Undecanoic acid | 1.1789 | 1.2034 | 1.3739 | 0.2896 | 1.1848 | 1.5485 | 1.1802 | 1.1258 | 1.3290 | 0.9786 | 0.7156 | 1.0604 | 0.5186 | 0.6525 | 0.6601 |
| Ureidosuccinic acid | 0.4180 | 0.5505 | 0.4978 | 0.5580 | 0.7967 | 0.5477 | 0.8304 | 1.2045 | 0.5235 | 1.9544 | 2.0311 | 1.4711 | 1.1675 | 1.2609 | 1.1876 |
| Uridine 5^-diphosphate | 1.5278 | 1.3395 | 1.8422 | 0.4674 | 0.8085 | 0.7193 | 1.2567 | 1.2084 | 0.9389 | 0.8261 | 1.1912 | 0.8781 | 0.7169 | 0.6934 | 0.5856 |
| Uridine diphosphate glucose | 1.1520 | 1.1212 | 1.3441 | 0.6447 | 0.8212 | 0.6946 | 0.9561 | 1.2102 | 0.7506 | 0.8788 | 1.2067 | 0.8751 | 1.1018 | 1.2966 | 0.9463 |
| Uridine diphosphate-N-acetylglucosamine | 0.2455 | 0.2589 | 0.2728 | 1.5587 | 2.0321 | 1.7000 | 0.2060 | 0.2352 | 0.1597 | 0.2214 | 0.3017 | 0.2220 | 2.4600 | 2.8604 | 2.2657 |
| Valyl-Histidine | 2.3125 | 2.2564 | 2.5238 | 0.1084 | 0.1314 | 0.1463 | 0.2449 | 0.2714 | 0.1975 | 0.2721 | 0.4084 | 0.3481 | 1.8334 | 2.1278 | 1.8177 |
| Valyl-Tyrosine | 2.5701 | 2.3643 | 2.0374 | NA | NA | NA | 0.4749 | NA | 0.3872 | 0.2988 | 0.6778 | 0.5991 | 0.5543 | 0.7284 | 0.3078 |
| Valyl-Valine | 1.4601 | 1.6610 | 1.6014 | NA | NA | NA | 0.0424 | NA | 0.1574 | 0.0475 | 0.2080 | 0.1392 | 1.8259 | 2.0487 | 1.8085 |
| Vomifoliol | 0.6383 | 1.0325 | 1.8829 | 1.2049 | 1.2976 | 1.3651 | 0.6392 | 0.5887 | 0.8461 | 1.1908 | 1.3265 | 1.3175 | 0.3199 | 0.9160 | 0.4341 |
| xi-gamma-Undecalactone | 1.4296 | 1.1871 | 1.3982 | 0.5662 | 1.2116 | 1.1200 | 0.2339 | 1.2594 | 1.9693 | 0.9186 | 0.4824 | 1.6494 | 0.5720 | 0.3682 | 0.6342 |
Factors:
| F1 | cell_type:iRBC | treatment:3D7 + Compound 3-1 |
| F2 | cell_type:iRBC | treatment:3D7 + Compound 3-2 |
| F3 | cell_type:iRBC | treatment:3D7 + Compound 3-3 |
| F4 | cell_type:iRBC | treatment:3D7 + Glucosamine -1 |
| F5 | cell_type:iRBC | treatment:3D7 + Glucosamine -2 |
| F6 | cell_type:iRBC | treatment:3D7 + Glucosamine -3 |
| F7 | cell_type:iRBC | treatment:DMSO -1 |
| F8 | cell_type:iRBC | treatment:DMSO -2 |
| F9 | cell_type:iRBC | treatment:DMSO -3 |
| F10 | cell_type:iRBC | treatment:PfAM17-HAglmS-1 |
| F11 | cell_type:iRBC | treatment:PfAM17-HAglmS-2 |
| F12 | cell_type:iRBC | treatment:PfAM17-HAglmS-3 |
| F13 | cell_type:iRBC | treatment:PfAM17-HAglmS +Glucosamine -1 |
| F14 | cell_type:iRBC | treatment:PfAM17-HAglmS +Glucosamine -2 |
| F15 | cell_type:iRBC | treatment:PfAM17-HAglmS +Glucosamine -3 |