Metabolite_name RefMet_name Phenomet_C18_POS_F-P1-N1 Phenomet_C18_POS_F-P1-N10 Phenomet_C18_POS_F-P1-N2 Phenomet_C18_POS_F-P1-N3 Phenomet_C18_POS_F-P1-N4 Phenomet_C18_POS_F-P1-N5 Phenomet_C18_POS_F-P1-N6 Phenomet_C18_POS_F-P1-N7 Phenomet_C18_POS_F-P1-N8 Phenomet_C18_POS_F-P1-N9 Phenomet_C18_POS_F-P2-N1 Phenomet_C18_POS_F-P2-N10 Phenomet_C18_POS_F-P2-N2 Phenomet_C18_POS_F-P2-N3 Phenomet_C18_POS_F-P2-N4 Phenomet_C18_POS_F-P2-N5 Phenomet_C18_POS_F-P2-N6 Phenomet_C18_POS_F-P2-N7 Phenomet_C18_POS_F-P2-N8 Phenomet_C18_POS_F-P2-N9 Phenomet_C18_POS_F-P4-N1 Phenomet_C18_POS_F-P4-N10 Phenomet_C18_POS_F-P4-N2 Phenomet_C18_POS_F-P4-N3 Phenomet_C18_POS_F-P4-N4 Phenomet_C18_POS_F-P4-N5 Phenomet_C18_POS_F-P4-N6 Phenomet_C18_POS_F-P4-N7 Phenomet_C18_POS_F-P4-N8 Phenomet_C18_POS_F-P4-N9 Phenomet_C18_POS_F-P5-N1 Phenomet_C18_POS_F-P5-N10 Phenomet_C18_POS_F-P5-N2 Phenomet_C18_POS_F-P5-N3 Phenomet_C18_POS_F-P5-N4 Phenomet_C18_POS_F-P5-N5 Phenomet_C18_POS_F-P5-N6 Phenomet_C18_POS_F-P5-N7 Phenomet_C18_POS_F-P5-N8 Phenomet_C18_POS_F-P5-N9 Phenomet_C18_POS_F-P6-N1 Phenomet_C18_POS_F-P6-N10 Phenomet_C18_POS_F-P6-N2 Phenomet_C18_POS_F-P6-N3 Phenomet_C18_POS_F-P6-N4 Phenomet_C18_POS_F-P6-N5 Phenomet_C18_POS_F-P6-N6 Phenomet_C18_POS_F-P6-N7 Phenomet_C18_POS_F-P6-N8 Phenomet_C18_POS_F-P6-N9 Factors - Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P1 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P2 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P4 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P5 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 Protcole:P6 2-Deoxy-D-Glucose 2-Deoxy-glucose 1.7081 1.6028 1.6042 1.9583 1.6281 1.6671 1.8983 1.5235 1.7666 1.8008 0.9992 1.4187 1.0329 0.8808 1.0855 1.2120 1.4288 1.0682 1.3501 0.9928 1.3867 1.5068 1.4376 1.3785 1.5732 1.3210 1.3417 1.5685 0.1316 1.5974 2.2966 2.5183 2.6370 1.9330 3.0863 2.9433 2.5641 0.2729 3.2989 2.4685 2.0509 2.1227 2.0629 2.3925 2.1002 0.1811 2.0251 2.0703 1.9719 2.1656 2-Methyl-2-oxovaleric acid 141363 178007 17212 160979 174262 152852 165869 171515 158562 163305 314979 238138 256564 296708 308247 303022 285476 299373 312615 334015 174435 179385 179411 157565 178666 184972 17041 171407 166271 147474 142861 134077 157117 156261 125715 126472 170428 134972 11982 154948 135707 127706 145587 146844 139832 128745 137239 139845 131815 138118 2-Methyl-3-ketovaleric acid 2-Methyl-3-ketovaleric acid 125341 114475 137147 14785 132672 149099 140335 123899 152042 14294 101724 157322 144809 9.8855 9.1482 114837 9.7199 102633 6.4167 8.8079 127522 125841 138421 193289 107695 125471 138471 110073 163704 118672 193007 180328 171498 186944 210881 189761 156303 18215 186136 155905 144285 177173 139263 130667 148788 15497 162385 163192 146373 151018 3-(2-Hydroxyphenyl)propanoic acid 3-(2-Hydroxyphenyl)propanoic acid 8.7474 9.4575 8.9403 8.1871 9.0853 7.7084 8.5811 9.2460 8.4782 8.0800 18927 1225 131424 182004 173384 166796 15107 154345 18348 186614 103775 10556 102454 9.0768 112817 113779 104738 109206 105386 9.4741 7.3534 7.1027 8.0214 8.4949 7.1897 6.7012 9.0641 7.3624 6.4410 0.7474 7.7697 7.0827 8.5297 8.5936 7.9589 7.0334 7.1486 7.5229 0.7563 7.3018 3_4-Dihydroxymandelic acid 3,4-Dihydroxymandelic acid 0.1143 0.0922 0.1868 0.1102 0.1310 0.0112 0.0829 0.1219 0.1551 0.1492 0.1088 0.1174 0.0170 0.1123 0.1196 0.0959 0.1564 0.0886 0.1214 0.1168 0.0906 0.0006 0.1260 0.0913 0.1015 0.0917 0.1261 0.1105 0.1105 0.0978 0.1473 0.1836 0.0178 0.1663 0.1592 0.1748 0.2321 0.1532 0.1742 0.1899 0.1437 0.1737 0.1446 0.1417 0.1691 0.1556 0.0178 0.1478 0.1323 0.1059 3-Dehydroshikimate 3-Dehydroshikimate 0.2801 0.2583 0.3427 0.0352 0.3453 0.3290 0.3394 0.2596 0.3074 0.3750 0.0411 0.4904 0.5065 0.4616 0.4304 0.4727 0.5288 0.4715 0.5051 0.5077 0.3348 0.2084 0.2529 0.3060 0.2898 0.2299 0.0267 0.3062 0.3054 0.3202 0.6139 0.4839 0.5514 0.5574 0.5042 0.5115 0.5383 0.5073 0.5858 0.0582 0.5248 0.4474 0.3971 0.4557 0.3449 0.3359 0.4687 0.4469 0.0410 0.4034 3-Hydroxybenzoic acid 3-Hydroxybenzoic acid 133341 121253 141388 140552 136482 145784 128999 134567 136991 145207 9.5215 11648 11626 102422 109903 104246 113991 109553 110469 106596 13597 129208 13077 129123 144059 127575 126264 134972 128174 153302 241955 226679 235696 2138 220248 234386 198069 234377 235813 248481 173768 178532 16713 161561 163773 169096 171613 162862 158257 161903 3-Hydroxycapric acid 10-Hydroxydecanoic acid 0.4896 0.4547 0.0038 0.4018 0.4363 0.4330 0.4037 0.4435 0.3649 0.3932 0.0222 0.2868 0.2526 0.2534 0.2694 0.0177 0.2137 0.3177 0.2858 0.2680 0.3638 0.3525 0.4010 0.0365 0.0494 0.3860 0.4660 0.3637 0.3577 0.3459 0.3740 0.4264 0.4023 0.3780 0.4075 0.0387 0.3822 0.3430 0.4099 0.4978 0.3953 0.4854 0.4437 0.3591 0.4309 0.4435 0.0441 0.4411 0.3987 0.5216 3-Hydroxysuberic acid 3-Hydroxysuberic acid 454657 368597 374249 356229 349572 329168 381064 361624 34127 320936 51569 60308 584992 591633 563796 513718 525328 56405 534232 561535 326345 347517 368665 309967 335906 35557 34459 371401 34353 329633 162345 168179 160126 175304 151679 126262 219629 149431 130612 163667 264862 221423 24648 215762 245048 217887 210014 215678 213135 225252 3-Methyldioxyindole 3-Methyldioxyindole 2.2111 2.1602 1.9639 1.7532 2.1141 1.9558 1.9799 2.4576 2.0507 2.0552 1.6647 2.1147 2.0645 0.2248 2.1930 2.5379 2.3415 1.9255 2.0080 0.1699 1.8967 1.7993 2.0458 2.6668 1.8214 2.2121 1.9921 2.0554 2.5287 1.5715 1.8456 1.7845 1.6467 1.6944 1.5236 1.6544 1.8200 1.5892 1.6846 2.1578 1.9967 1.8628 1.9767 0.1707 1.8616 1.8605 1.9522 1.8517 1.8114 1.9266 3-Methylglutaric acid Methylglutaric acid 203237 215873 234993 245014 262615 274895 277766 254312 247293 249585 190384 215141 171641 206407 20653 189978 183953 178223 184475 215437 212919 189833 223863 243452 238076 224459 229012 248139 223062 202267 273503 275136 254375 24809 26963 289208 264787 270911 301426 306448 275954 267246 254885 231817 251901 301974 298739 278515 242556 274495 3-Oxoadipic acid 4.6522 4.0621 4.2767 4.0771 4.4661 3.9625 4.1235 4.0645 3.9476 4.1401 2.6991 2.3850 2.4291 2.7587 2.5436 2.2734 2.7844 0.2987 2.8326 2.9213 3.8779 3.9536 3.6319 3.3486 3.8118 0.4037 3.8068 3.9529 3.7625 4.6355 2.2331 2.3673 2.6003 2.4220 2.3998 2.3304 2.8252 0.2534 2.4502 2.4853 2.7762 2.9598 2.5709 2.7769 0.2863 2.6174 2.6608 2.6351 2.9482 2.6633 4-Hydroxy-L-proline cis-4-Hydroxyproline 1.0276 1.0543 1.0962 0.9928 1.0056 1.0410 1.0605 1.0368 1.0313 1.0805 0.9563 0.0845 0.9424 0.9479 1.0563 0.8656 0.1008 0.0093 0.9377 1.0859 0.0089 0.9843 0.9110 0.9528 0.9305 0.9362 0.8855 0.9531 0.9077 0.8229 1.0140 0.9104 1.0180 1.0490 0.9308 0.9053 1.0505 1.0156 0.8666 0.0943 0.9620 0.9378 0.9351 0.9545 0.1001 1.0046 1.0311 1.0507 0.9815 0.9888 5-Hydroxymethyluracil 5-Hydroxymethyluracil 0.0489 0.0376 0.3096 0.2683 0.4246 0.4182 0.2725 0.3625 0.3691 0.3730 0.3838 0.2309 0.3501 0.0321 0.0246 0.3573 0.3382 0.3276 0.2937 0.3455 0.3738 0.3598 0.2975 0.3413 0.0438 0.3703 0.4550 0.3111 0.3086 0.6309 0.6508 0.5093 0.3695 0.4544 0.4074 0.3537 0.4025 0.4530 0.4874 0.5404 0.3254 0.3734 0.4585 0.3586 0.4487 0.4978 0.5372 0.3476 0.3460 0.4607 Acetylglycine N-Acetylglycine 0.3227 0.0273 0.4141 0.4243 0.3375 0.4217 0.3573 0.3643 0.3760 0.3614 0.2348 0.2537 0.3288 0.1983 0.2006 0.0129 0.2105 0.1552 0.1935 0.2186 0.2093 0.1878 0.1823 0.1429 0.1652 0.2063 0.0144 0.1576 0.1624 0.1610 0.3230 0.3195 0.2920 0.0241 0.2930 0.2537 0.2990 0.2671 0.4137 0.3072 0.3034 0.2759 0.2983 0.2178 0.3444 0.3048 0.3237 0.3093 0.2454 0.2699 Adenine Adenine 2.8743 2.7900 3.2014 3.3935 3.2776 3.3292 0.3732 0.2928 2.8827 2.9526 4.3339 5.7622 3.5963 4.1736 3.5674 3.9370 3.4248 3.8535 2.4592 3.9151 0.2779 4.0818 3.1074 3.9770 0.2916 3.4319 3.4194 3.1012 3.6680 2.8283 0.2190 2.8291 2.3373 2.8943 2.5304 2.6191 2.3451 2.9749 2.6956 2.2460 2.5832 3.2466 2.8597 2.9537 2.5772 2.7505 0.2733 2.8344 2.8485 2.8450 Allantoin Allantoin 1.2833 1.1220 1.4453 1.3439 0.1382 1.4887 1.4107 1.3602 1.3190 1.3821 0.7857 1.0686 0.9137 0.8305 0.9573 1.0131 0.9558 0.8133 0.9517 0.8305 1.0515 1.0153 1.0343 0.9567 1.0898 0.1065 1.0902 1.1463 0.9843 1.3999 0.0699 0.8178 0.7694 0.7505 0.8054 0.8375 0.8278 0.7353 0.8803 0.0783 0.0115 1.2230 1.0226 0.9243 1.1276 1.1108 0.9437 1.0226 0.1051 1.0368 Aminoadipic acid Aminoadipic acid 1.0710 1.0720 0.1167 1.1371 1.3459 1.2214 1.1541 1.2800 1.1931 1.2384 0.9587 1.0904 1.1365 1.0094 0.9850 0.9147 0.9459 1.1550 1.0597 1.0099 0.9994 1.2616 0.0116 1.2667 1.5070 1.0644 1.0978 1.1638 0.8493 1.1291 0.0162 1.3383 1.4475 1.6406 1.5898 1.2229 1.7134 1.5480 1.5059 1.6435 1.5169 1.4482 1.5559 1.5441 1.4776 1.5949 1.6774 1.6885 1.2218 1.3559 Azelaic acid Azelaic acid 196285 224058 1387389 1768011 1488847 165186 1707871 1710708 1574121 173798 1003636 1228348 1160745 975644 1108781 1243503 1386848 990447 968836 800793 1961838 1366988 1415509 1451015 1031375 1403845 1623088 1519557 1488225 1468485 1621001 2094179 1570842 174073 2210909 2382166 1680408 1821399 2170539 1984525 1669004 1635183 1614254 1388116 1487604 2146649 1696936 1945653 2132977 1797415 Caffeic acid Caffeic acid 0.4658 0.3594 0.4895 0.4108 0.4727 0.4109 0.3804 0.4328 0.4463 0.4276 0.3217 0.4317 0.3911 0.3318 0.3816 0.3113 0.3432 0.3575 0.3061 0.3747 0.4067 0.4475 0.4306 0.3523 0.4198 0.4366 0.4143 0.0041 0.3991 0.4885 0.6762 0.7308 0.7635 0.6688 0.6115 0.6463 0.0678 0.0572 0.6049 0.7321 0.5770 0.5993 0.5446 0.4893 0.5683 0.5497 0.5326 0.5622 0.5193 0.5495 Ciliatine Ciliatine 3.8130 3.5782 3.8372 3.7161 3.8764 4.0352 3.4898 3.7254 3.7755 3.5227 3.0263 0.3265 3.2201 3.0484 3.1384 0.3277 3.0429 2.7241 3.0217 0.2987 3.8800 0.0040 4.0335 3.7011 0.4205 4.1021 4.0524 4.1169 4.1608 4.8175 0.8076 0.8792 0.7642 0.7102 0.7932 0.0670 0.7610 0.7269 0.7032 0.8361 1.4271 1.2283 1.2660 0.1328 1.4112 1.1440 1.0756 1.0900 1.1208 1.0843 Citramalic acid Citramalic acid 2.7567 0.2609 2.8714 2.9665 2.6542 2.9926 2.7503 2.7316 2.8007 0.2849 2.0455 2.4659 2.2353 2.1148 2.2099 2.2875 2.4255 2.1704 1.9806 2.1038 2.6771 2.3974 2.6822 2.4966 2.3332 2.5795 0.2480 2.4569 0.2480 2.1924 3.1179 3.2215 3.2009 2.9076 3.0823 2.9818 3.2362 3.4558 3.0890 3.3337 2.9952 2.8891 2.8776 2.6798 2.8834 2.8872 3.0220 3.0066 2.9087 3.0127 Citrulline Citrulline 105757 103486 104649 113904 102187 105258 111015 106019 109563 120825 9.7020 106576 100522 103526 0.9767 101529 9.7364 103459 9.4291 113171 102923 100773 107442 104262 102625 100934 102614 102597 102461 9.2616 137461 12662 129447 12432 132805 126388 138539 134898 127451 147535 113417 106616 115205 109729 115307 119074 114348 116674 102599 113627 Cortisol 21 acetic acid Cortisol 21-acetate 3.2052 2.8039 2.5505 4.8648 3.2543 3.8348 3.0761 2.8705 2.2506 2.1747 111558 180018 153165 104607 109643 9.7409 103719 109129 116601 116693 5.6845 6.6815 6.4779 5.6711 7.2678 5.8042 6.9910 6.1452 0.6481 106608 2.8334 2.7309 2.3661 2.3635 0.2765 2.1898 2.8121 3.2502 2.8548 2.1629 107317 102512 9.1585 104906 103981 7.9759 8.5136 7.7954 9.2076 9.3669 Cysteic acid Cysteic acid 2.3577 2.1619 2.6727 2.5220 2.6306 2.4372 2.2851 2.4332 2.5422 2.5799 1.7524 0.1983 1.9340 1.9020 1.8062 1.7722 1.8337 0.1912 1.7545 2.0308 2.1433 2.2445 2.2574 0.2248 2.4552 2.4223 2.2727 2.3836 2.1322 0.2178 3.7249 3.3789 3.8384 3.3405 3.2468 3.1434 3.5647 3.3910 3.2463 3.5975 3.0994 3.0255 2.8386 2.6077 2.9451 0.2962 2.8740 2.9956 2.6977 2.8570 Cytidine 2^_3^-cyclic phosphate 2',3' cyclic CMP 0.2013 0.1788 0.2276 0.0169 0.1693 0.2522 0.2481 0.2309 0.2698 0.2099 0.1414 0.2178 0.1548 0.2476 0.1402 0.1200 0.1380 0.1741 0.0176 0.1235 0.2838 0.2304 0.2727 0.2339 0.2457 0.2610 0.2713 0.1750 0.1922 0.0165 0.2041 0.1328 0.1591 0.1796 0.1505 0.1760 0.1387 0.1442 0.1498 0.1753 0.1786 0.1596 0.0200 0.2211 0.1894 0.2144 0.1569 0.1599 0.0168 0.2339 D-Glucose Glucose 0.8290 0.7861 0.8464 0.8119 0.7942 0.8114 0.7570 0.8028 0.0794 0.8244 0.0568 0.7069 0.5784 0.6656 0.6012 0.5648 0.6595 0.6445 0.5649 0.6245 0.7507 0.7178 0.7742 0.7921 0.8319 0.7843 0.7891 0.8342 0.7472 0.7185 1.0110 0.0999 1.0079 0.9570 0.0955 0.9946 0.1000 1.0052 0.9246 0.9747 0.9344 0.9255 0.9141 0.8331 0.9553 0.9411 0.9122 0.9395 0.9208 0.9427 D-Glucuronic acid Glucuronic acid 3.6732 3.4175 5.4460 3.9333 0.0386 3.5053 4.5434 3.9667 3.3666 4.3068 0.5009 5.1967 4.4588 4.4887 4.7414 4.4974 4.3161 4.4615 5.3255 4.5780 4.1990 3.2787 3.0556 0.0039 3.6768 2.9576 4.0311 0.3909 4.9519 4.5292 4.4619 4.7511 4.5809 3.7347 6.1191 6.4993 4.6317 4.8507 0.5630 5.4957 0.4526 4.6205 3.9164 3.6637 4.3099 4.4780 4.0812 0.4807 4.7368 4.5388 Diaminopimelic acid Diaminopimelic acid 4.5308 3.9397 4.2079 3.6590 4.0631 3.4672 3.6344 3.9343 3.5400 3.4645 8.2804 0.8418 8.3983 8.1454 8.4012 0.7744 8.2522 7.9961 8.3766 8.4306 3.3556 3.4630 0.3312 2.8698 3.4211 0.3539 3.5501 3.4714 3.5488 4.1277 1.1840 1.2135 0.1305 1.4164 1.3696 0.1097 1.5241 1.2629 1.1207 1.2988 2.0040 1.7813 1.9872 2.1097 2.3132 1.7491 1.6207 1.7802 0.1776 0.1690 D-Maltose Maltose 5.8381 0.5158 5.2881 0.4997 5.3632 5.2233 5.0061 5.1255 5.0607 0.5465 6.0681 7.4069 0.7407 5.8848 0.5831 5.9893 0.5575 5.9797 0.5198 6.0199 4.7065 4.5569 5.1211 4.8001 4.9812 4.8255 4.9479 4.9795 5.4565 4.5879 5.2491 4.9630 4.6756 4.4707 4.7757 4.6195 5.0953 4.6025 4.8459 4.9960 5.7847 5.5736 5.3339 0.4617 5.5285 4.8973 5.3345 4.7592 4.8040 5.3125 Fumaric acid Fumaric acid 0.0634 0.7134 0.7996 0.0802 0.8174 0.7870 0.7921 0.7759 0.8486 0.8930 0.0602 0.6971 0.6599 0.6371 0.0583 0.5448 0.5942 0.6091 0.6073 0.6565 0.7085 0.7489 0.7672 0.0769 0.7750 0.8001 0.8249 0.8244 0.7419 0.0693 1.2340 1.2064 1.1748 1.0777 1.0436 1.0698 1.2119 1.0831 1.0758 1.1410 0.9614 0.9813 0.0897 0.8397 0.9634 0.9731 0.8992 0.9723 0.8646 0.9464 Gluconic acid Gluconic acid 6.7877 7.8426 8.0279 103855 8.6170 8.2614 7.4901 8.3036 6.9359 7.5903 119507 174536 176669 168305 143226 110419 123929 174523 124467 162618 8.6342 9.9894 8.5548 6.9602 8.1646 8.8717 8.2741 6.9203 7.1185 9.7663 10242 9.0407 106521 9.8191 9.1486 7.0774 108664 9.9056 0.8033 9.4703 132479 122512 140775 129293 14546 116918 119567 128327 127891 120065 Glucose 6-phosphate Glucose 6-phosphate 3.9530 3.8286 3.9109 4.1877 3.8476 3.7971 3.5785 0.3808 3.6820 4.1396 3.8228 4.0487 3.9794 4.0409 4.0635 3.9746 3.9303 3.8915 3.6861 4.2287 3.8659 3.8813 4.0987 3.9955 4.0416 4.1963 0.3696 4.0650 3.9393 3.5850 2.7748 0.2916 2.6787 0.2710 2.5757 2.7029 2.8290 2.6336 2.7324 2.7534 3.5162 0.3735 3.5926 3.0565 0.3639 0.3372 3.5053 3.3138 3.1628 3.5432 Glyceraldehyde 3P diethyl acetal 0.5887 0.6407 0.6096 0.6311 0.6874 0.6059 0.5982 0.6726 0.5625 0.6650 1.1754 0.8650 0.0922 1.1874 1.3061 0.9981 1.1191 1.0290 1.1026 1.1757 0.5487 0.5865 0.5227 0.0057 0.6000 0.6347 0.6070 0.6115 0.5920 0.7008 0.1882 0.2175 0.2318 0.2879 0.2762 0.2330 0.3152 0.2934 0.2038 0.2176 0.3865 0.0377 0.3613 0.4505 0.4918 0.3140 0.4353 0.3439 0.3390 0.3613 Glyceric acid Glyceric acid 5.3510 4.5525 4.9566 4.9129 4.7092 5.1623 4.7233 4.9460 5.3635 5.1807 4.4898 6.0660 5.2591 4.6857 4.4877 4.5053 4.4416 4.5267 4.0897 4.8049 4.8175 4.8581 0.4992 4.9762 4.3471 4.6818 4.7431 4.4681 0.4978 4.2703 8.2152 6.8725 6.9270 6.9626 7.0952 7.4092 6.9596 7.1223 6.9857 7.7877 6.4830 6.1255 6.3942 5.5070 5.7773 6.3150 6.5835 0.6200 0.5461 6.1325 Guanine Guanine 6.7803 7.2956 7.5802 6.3143 7.6932 6.2635 6.9062 7.5390 6.4451 6.9310 12091 9.4745 9.7196 113818 113766 108895 105993 121535 128016 132642 6.5709 0.8086 7.2507 6.7159 8.4252 0.7738 7.3065 7.4190 7.1299 8.0130 5.2737 4.9924 5.7884 5.6883 4.7917 4.1951 5.9912 5.1445 4.2371 5.0739 5.9220 5.7329 6.2823 6.7611 6.5937 5.6280 5.7781 6.0646 5.7624 0.5862 Hippuric acid Hippuric acid 0.8945 0.8754 0.9091 0.9081 0.9226 0.9422 0.8790 0.8806 0.9357 1.0072 0.7005 0.7651 0.7111 0.7668 0.7838 0.7106 0.6988 0.7423 0.6751 0.8134 0.8107 0.8622 0.0871 0.8488 0.9073 0.0089 0.8399 0.9001 0.8921 0.7342 1.1137 1.1434 1.1665 1.0993 1.1200 1.1140 1.1490 1.0998 0.0110 1.2245 1.0862 1.0838 1.0522 0.9168 1.0393 1.0744 1.0522 0.1094 0.9908 1.0874 Homogentisic acid Homogentisic acid 0.4152 0.2984 0.2987 0.3680 0.3243 0.3232 0.3051 0.3126 0.3647 0.3603 0.3127 0.4187 0.3615 0.2916 0.3078 0.2909 0.3098 0.3001 0.2784 0.3524 0.3276 0.3381 0.3397 0.3439 0.3263 0.3351 0.3350 0.2996 0.3761 0.3041 0.6016 0.5109 0.5567 0.5101 0.4918 0.5625 0.5099 0.4965 0.4629 0.5450 0.4718 0.4455 0.0044 0.4186 0.4610 0.5079 0.4729 0.4378 0.0427 0.4097 Hydroxyphenyllactic acid Hydroxyphenyllactic acid 2.5439 2.2252 3.1440 2.9585 3.0150 3.0099 2.3808 2.6587 3.0162 2.5949 2.2885 2.2246 2.7809 2.6245 2.4939 2.5206 2.9249 2.4258 2.9483 1.9867 2.5827 0.2507 2.6899 0.2541 2.1703 2.9480 2.1865 2.5406 2.4615 2.3646 4.5629 4.2244 4.3369 3.9474 4.3087 3.7212 4.6252 4.0759 3.8410 3.8679 3.6318 3.5430 0.3712 0.3940 4.2608 3.9550 3.2601 3.6444 3.7114 3.6796 Hypoxanthine Hypoxanthine 734177 774386 781035 837276 785614 728992 694377 783262 749217 787683 1005075 1087939 1163557 1133812 106412 986707 1053374 1193419 1108104 1230184 905083 1045213 974097 863631 1012395 948392 936053 975741 899203 919765 1091806 1020834 1139785 1131051 994754 957259 1184492 1059877 925931 1049707 1056346 1002515 1123463 1183362 1111097 995205 1055665 1055855 1010771 1045085 Indoxyl sulfate Indoxyl sulfate 0.2056 0.2128 0.2405 0.2534 0.2335 0.2069 0.1733 0.2142 0.2123 0.2186 0.1631 0.2118 0.2039 0.2054 0.1645 0.1934 0.1700 0.1936 0.2040 0.2015 0.1976 0.2120 0.1603 0.1909 0.2299 0.2136 0.1958 0.1802 0.2024 0.2342 0.4986 0.4634 0.4263 0.4281 0.4146 0.3854 0.4093 0.4305 0.3690 0.4526 0.2906 0.3100 0.2622 0.2653 0.2568 0.0309 0.2635 0.3017 0.0265 0.2857 Inosine Inosine 0.2489 0.2454 0.3174 0.2489 0.2405 0.3130 0.2363 0.2201 0.2189 0.2471 0.1797 0.2227 0.1598 0.1887 0.2072 0.1480 0.1954 0.2034 0.1958 0.2584 0.2042 0.2247 0.2841 0.1889 0.0219 0.2592 0.2264 0.2217 0.2028 0.2469 0.0326 0.3186 0.2832 0.3424 0.2711 0.3083 0.3401 0.2863 0.2905 0.2754 0.2579 0.2114 0.3118 0.2425 0.2388 0.2528 0.2315 0.2619 0.2298 0.2353 Isocitric acid Isocitric acid 22244 246264 208938 238888 242188 241167 248547 22254 230184 217288 140565 147244 131122 147635 173926 185654 187786 154753 18499 171994 241518 172354 243643 246252 209934 240431 23272 279412 218565 146672 9.8805 116638 140339 100945 12064 127944 11218 109211 123722 110773 15068 163776 148931 149043 151462 158468 140764 145866 158807 162401 L-Arabitol L-Arabitol 0.1760 1.9852 2.2087 2.1686 2.2120 2.1704 2.0670 2.0950 2.1392 2.1069 1.5504 1.7942 1.6853 1.6326 1.6277 0.1481 1.5650 1.5724 1.4114 1.6266 1.8839 1.9361 1.9863 0.1941 2.1516 1.9662 2.0061 0.1984 1.8962 1.8574 3.0209 2.8965 3.1702 2.7460 2.7793 2.6897 2.8260 2.8292 2.7007 2.8015 2.4558 2.6181 2.4158 2.2664 2.5840 2.5872 2.4191 2.4936 2.4159 0.2463 L-Arginine Arginine 3.6251 3.2285 3.5530 3.5523 3.4534 3.5597 3.4847 3.4457 0.3573 3.8020 2.5620 0.3052 2.8007 2.8960 2.8640 2.7067 2.8265 0.2682 2.4760 2.9486 3.4044 3.3367 3.1960 0.3372 3.4671 3.3919 3.5253 3.4377 3.2563 3.2186 5.3171 4.7025 4.9453 4.4821 4.5078 4.7110 4.4585 0.4495 4.3804 0.5005 4.1253 4.3058 0.0396 3.4600 0.4079 4.1201 4.2836 4.2862 3.7841 4.1409 L-Asparagine Asparagine 161216 192895 227523 23273 197332 235347 235157 202184 24882 23943 160362 247928 364507 160443 152273 194121 14292 15086 100168 1562 191532 183984 238068 289408 191291 194794 249578 179509 248616 197632 256811 255122 245385 232564 305779 277072 253875 272725 275719 211203 226475 324987 221764 203924 22602 234036 282292 243585 227646 255623 L-Aspartic acid Aspartic acid 1310989 137726 140419 1288205 1376576 131724 1357155 1387407 1300359 1300106 156126 1181393 1301067 1591133 1574656 1542458 1485293 1536207 1607412 1565902 1346099 1350822 1352363 121355 1499801 1424178 1330693 1451467 1303033 1280645 691585 720806 724333 725256 655683 642151 776731 738121 684664 673012 1017515 947304 100167 108567 1042053 918085 911763 945028 981165 952628 L-Cystathionine Cystathionine 1.4927 1.3960 1.4450 1.9590 1.5742 1.5559 0.1429 1.4984 1.6833 1.6829 1.1604 1.3765 1.2942 1.0824 1.1367 1.1457 1.6518 1.1535 1.4458 1.0251 1.3411 1.3337 1.4654 1.4533 0.0132 1.3131 0.1355 1.2984 1.4057 1.3143 2.1848 2.5756 2.4053 1.8375 2.3059 2.3392 2.2495 2.5025 2.2930 2.3146 1.7289 2.3930 1.7948 0.2085 2.0428 1.7062 1.9147 0.1835 1.7436 1.7900 L-Dopa DOPA 0.2632 0.2520 0.2762 0.2918 0.2560 0.2807 0.2333 0.3011 0.0284 0.2544 0.2182 0.0254 0.2380 0.2274 0.2275 0.2076 0.2058 0.2398 0.2408 0.2324 0.2673 0.3068 0.2524 0.2381 0.2824 0.2711 0.2735 0.0245 0.0259 0.0262 0.4556 0.3959 0.4588 0.4297 0.4334 0.4210 0.4454 0.4185 0.3866 0.4375 0.3210 0.3243 0.3762 0.3797 0.3328 0.3404 0.3940 0.3505 0.3148 0.3684 L-Glutamic acid Glutamic acid 3165051 2971743 3255823 3003805 3213869 3127102 3055298 3123674 3124044 3141822 289829 2675479 2712669 2958547 2979122 2846928 2903155 293774 2973103 2925278 2975086 3071174 3077924 2800278 3187688 3138885 3004723 3023673 294306 314457 3016883 310535 3147646 3163106 2867456 2829236 3031757 3073305 2918388 2994845 3245259 3146019 3220775 3199168 3233287 3045655 3135071 304341 3195717 3092941 L-Histidine Histidine 3.9471 3.7952 5.1536 4.3017 4.6813 5.2355 0.4418 4.6080 4.5340 4.9401 2.5693 4.9391 4.1320 3.1964 3.1581 3.1723 3.2088 3.3324 3.0575 3.2473 0.0200 2.1532 1.9323 1.7284 1.9689 1.8724 1.8740 0.1918 1.8700 2.3650 1.4921 1.5421 1.6338 1.5877 1.6667 1.5151 1.7339 1.7003 1.6100 1.6688 3.4784 2.7188 2.8252 2.6746 3.0312 2.8155 2.6120 2.6376 0.2660 0.2734 L-Homoserine Homoserine 230966 266538 207764 163473 202756 145082 200367 208223 183171 187092 368641 225346 291993 374596 35439 352031 358675 413346 365622 347586 202067 281336 239844 23136 239129 263328 233188 271714 220668 236344 9.1883 8.0530 107425 105201 8.1954 6.0497 106466 8.4608 5.7849 6.8216 8.1711 9.3509 10557 188296 129819 9.9315 7.7403 9.5798 106058 9.6790 L-Kynurenine Kynurenine 0.8827 0.8658 0.9070 0.9873 0.8862 0.8969 0.9688 0.9115 0.9751 0.9538 0.6724 0.7747 0.7713 0.6266 0.7068 0.6376 0.7326 0.6239 0.7355 0.6109 0.7786 0.8668 0.9089 0.8149 0.9208 0.9739 0.8634 0.8589 0.7852 1.0142 1.3062 1.2304 1.1918 1.0713 1.2141 1.1416 0.1205 1.3777 1.2472 0.1304 1.0686 1.2330 1.0386 1.0283 1.0592 1.0221 1.2220 1.0436 1.0721 1.0727 L-Lactic acid Lactic acid 1883954 1626288 1883486 1972387 1819218 2063926 1936277 1786584 2071052 1909149 1639959 2270338 2038893 1454696 1353178 1610537 1377873 1489709 1150043 1276392 1793986 1917567 1830078 2842336 1690712 177197 1920081 1629888 2174563 1903581 258995 2396724 2313811 237561 2657857 253864 2078673 2394077 2612435 2200874 2028871 2363265 1981167 1886094 2048465 2182201 2242175 2239953 2022338 2171095 L-Lysine Lysine 0.5214 0.4752 0.5880 0.5570 0.6252 0.5792 0.4802 0.5761 0.5688 0.5883 0.3973 0.4779 0.0435 0.4345 0.4297 0.3742 0.4273 0.0458 0.3692 0.4062 0.4496 0.4777 0.4785 0.5087 0.4999 0.5570 0.4985 0.4860 0.4912 0.4935 0.7944 0.8904 0.8025 0.8478 0.7645 0.7632 0.7874 0.7690 0.7538 0.8022 0.6514 0.7845 0.5932 0.6406 0.7205 0.6773 0.5987 0.6697 0.6899 0.7361 L-Malic acid Malic acid 127593 118429 119407 134349 119245 134105 13616 138026 120936 122016 8.1104 8.9024 8.0261 7.1639 8.7242 9.7731 102078 8.7187 120893 8.4711 115584 100162 129385 125361 101131 121152 115296 124024 117752 106114 7.9819 8.7469 8.7275 7.2557 8.4716 9.6576 8.2104 0.8447 8.8816 0.9046 9.5411 8.6775 8.6003 7.6436 9.6835 8.9634 8.0784 7.9530 9.0322 9.5729 L-Methionine Methionine 0.6137 6.7049 7.1436 7.4470 6.8589 8.7581 6.6170 7.0371 6.5639 6.6072 9.0531 9.9226 101367 10368 100178 101459 9.6088 9.8462 9.2948 9.6185 7.7835 7.3435 8.1765 0.8541 8.3399 8.4681 8.2016 8.3909 8.3033 6.9330 4.7871 5.3866 4.9527 5.2601 4.8929 4.9166 5.4547 4.7300 4.8519 7.7658 0.9000 7.2831 7.1456 7.2337 7.8374 0.7150 6.8517 7.0830 7.4103 6.9362 L-Phenylalanine Phenylalanine 155597 188823 185182 160986 184224 163763 188522 179709 162732 163825 401855 233997 284298 340112 359237 334973 314709 306735 369824 379796 223593 214141 216229 195878 234242 233395 225302 228554 217324 251311 6.3169 6.8498 6.9559 6.4655 6.1308 5.9176 7.3441 6.2863 5.8644 6.5349 7.7523 6.9580 7.2074 0.7643 8.5502 6.9284 6.4849 0.6734 6.9906 6.7285 L-Pipecolic acid Pipecolic acid 0.9303 0.9722 1.1824 1.3086 1.1980 1.1130 1.0147 1.0951 1.1073 1.1739 1.3022 1.5530 1.5007 1.2787 1.3817 1.3595 1.5816 1.4702 1.2797 0.1363 1.1710 1.1999 1.3624 0.9883 1.0789 1.1231 1.1035 1.0924 1.1646 1.2141 2.1477 2.3038 2.0541 2.0556 0.2126 2.0503 2.0611 1.9827 2.1051 2.1814 1.5924 1.6891 0.0182 1.6093 1.6869 1.5671 1.5096 1.4941 1.6029 0.1506 L-Serine Serine 164547 201399 16961 143941 166412 12426 155838 170711 14568 162637 229878 169606 20568 246553 232816 226658 251065 282041 23994 226996 153836 205444 181368 171825 174182 190876 170811 189112 164565 168317 107379 103485 135017 140017 107515 8.2265 150828 111167 8.4871 9.4193 120834 121627 140774 208363 160856 127071 112999 126802 137557 131708 L-Tryptophan Tryptophan 7.8380 8.4045 8.3909 0.8698 7.9209 8.5633 9.1346 8.7538 9.0022 0.9335 5.9049 7.3141 7.0496 6.3771 7.1636 6.9151 7.3259 0.6395 5.7305 5.7685 8.4169 7.4881 8.6713 9.3407 6.6829 7.8410 8.2621 7.8485 8.7034 6.6155 9.3154 8.9156 8.7323 8.6636 8.9807 8.6348 8.7370 9.4244 8.5003 9.8553 9.8191 0.9302 9.4300 8.1522 0.0907 9.8402 9.7549 9.2325 8.5097 9.8498 L-Tyrosine Tyrosine 230448 254723 247951 218871 244702 225086 23462 244407 232494 226859 411786 305018 352924 386434 389809 368278 361778 366683 393733 408098 294163 296516 295692 272355 32569 3137 29125 314256 294636 311476 212906 210191 216762 23117 18526 176218 233972 199697 176917 197464 206263 197214 203284 214978 213746 182848 187663 197639 199162 192406 Malonic acid Malonic acid 1.9519 2.1325 2.4419 2.3064 2.2100 2.3293 2.1457 2.4414 2.1822 2.2075 1.8200 2.3712 2.0618 2.2187 2.1132 1.9742 1.9242 2.1808 1.8877 2.0570 1.9788 2.5648 2.2001 1.9942 2.5460 2.1814 1.9238 0.2374 2.0329 2.5462 2.4174 2.6450 2.6322 2.3177 2.4515 2.1749 2.4683 2.3224 2.4396 2.8041 2.7333 2.6664 2.9991 3.0249 2.6221 2.6176 2.7276 2.4558 2.5168 0.2509 Mannitol Mannitol 590037 502068 529942 67209 536439 570898 6583 50654 557124 581506 33521 45661 380868 261783 337682 39696 492904 341957 441941 334569 45544 483499 486908 491911 501242 436928 468223 514737 455295 533386 796922 77332 876457 634617 955258 999642 843154 937333 1069279 857326 654423 709467 675014 764765 635671 610236 658876 692196 64538 699937 Monoethyl malonic acid Monoethyl malonic acid 8.7022 9.2969 105863 101638 104534 108171 109439 114591 1542 100939 8.5444 0.8904 9.6800 9.6937 8.9487 117405 117454 9.1396 0.8477 9.4376 140781 109984 129083 9.6652 8.7947 127312 106631 108574 112538 118166 152694 150513 146932 148021 151559 177907 294987 159107 218535 270597 125889 151425 130277 119897 112225 188484 134707 168274 208341 147009 N6-Acetyl-L-lysine N6-Acetyllysine 0.0165 1.5936 1.7757 1.6014 1.7331 1.6928 1.8731 1.9906 1.7254 1.9159 1.6118 3.1831 2.7348 2.0489 1.9946 2.0980 2.3153 0.2262 2.1105 2.3181 0.3034 0.0316 0.2878 0.2963 0.2682 0.2771 0.3272 0.2964 0.2724 0.0394 0.4972 0.4370 0.4139 0.0521 0.4314 0.4283 0.6033 0.5390 0.4684 0.0486 0.1147 0.8509 0.9672 0.7943 1.0352 0.8348 0.8158 0.8950 0.8504 0.8900 N6-(delta2-Isopentenyl)-adenine N6-Isopentenyladenine 0.1962 0.0017 0.1623 0.1440 0.1460 0.0139 0.0017 0.1713 0.1975 0.1719 0.1317 0.1362 0.1213 0.1392 0.1440 0.1489 0.1360 0.1344 0.1206 0.1298 0.0161 0.1663 0.1360 0.1460 0.1411 0.1641 0.1740 0.1296 0.1768 0.1525 0.0237 0.2162 0.2185 0.2388 0.2653 0.2870 0.3233 0.0225 0.0276 0.2174 0.1957 0.1918 0.1560 0.1778 0.0174 0.0195 0.2090 0.1874 0.2528 0.0180 N-Acetyl-4-O-acetylneuraminic acid 2.8590 2.7836 4.2096 3.4429 2.9848 3.2462 2.9464 3.0198 2.6792 2.9084 1.6785 1.9065 1.9684 0.1196 1.6212 1.4618 0.1379 1.1193 1.2024 1.1162 3.7830 4.1677 3.5369 4.1351 5.1290 3.5756 4.6148 3.9784 3.9194 4.6052 0.5879 0.7565 0.6643 0.9242 0.7738 0.7012 1.0246 0.8467 1.1146 0.7426 2.8140 0.2004 2.4611 1.7405 2.4156 2.0231 1.7811 1.7778 2.3511 2.1559 N-Acetyl-L-aspartic acid N-Acetylaspartic acid 234761 269044 284337 249121 261387 238463 257833 264 23949 249302 425207 338202 344454 396586 417249 387118 400503 38801 430591 460937 251867 26219 242925 218082 269085 263328 248609 258143 239811 243917 223251 200445 241009 238754 20055 192803 244129 209576 188751 228661 200424 197607 222646 224169 207987 192595 197581 202457 189703 192561 N-Acetyl-L-methionine N-Acetylmethionine 0.8752 0.8505 0.8715 0.8623 0.1008 0.9469 0.8929 0.8334 0.8904 0.8840 0.7512 0.6895 0.8542 0.0803 0.7340 0.6702 0.7625 0.7227 0.6487 0.7490 0.8884 0.8108 0.8758 0.8324 0.8757 0.8285 0.7719 0.8906 0.7968 0.7517 1.0065 1.0395 0.9814 0.9073 0.8803 0.0924 0.0093 0.9564 0.9765 1.0536 1.0143 1.1478 1.0012 0.7850 0.9775 0.8552 0.9717 0.7936 0.9711 0.8580 N-Acetylserine N-Acetylserine 3165051 2971743 3255823 3003805 3213869 3127102 3055298 3123674 3124044 3141822 289829 2675479 2712669 2958547 2979122 2846928 2903155 293774 2973103 2925278 2975086 3071174 3077924 2800278 3187688 3138885 3004723 3023673 294306 314457 3016883 310535 3147646 3163106 2867456 2829236 3031757 3073305 2918388 2994845 3245259 3146019 3220775 3199168 3233287 3045655 3135071 304341 3195717 3092941 N-Acetylserotonin N-Acetylserotonin 0.9187 0.8821 0.8917 0.0874 0.9265 0.7667 0.8061 0.9111 0.8532 0.9191 1.1649 1.1179 1.0370 1.1609 1.1051 1.1523 1.0714 1.2231 1.1531 1.4382 0.8998 0.9524 0.9370 0.8604 1.0124 1.0037 0.9568 1.0306 0.9261 0.7416 1.0030 0.9262 1.0417 1.0024 0.8880 0.8764 1.0688 0.9144 0.0881 0.9823 0.9514 0.8249 0.9336 0.9577 0.9828 0.9318 0.8827 0.9910 0.8726 0.9548 Norepinephrine Norepinephrine 0.1607 0.1395 0.1463 0.1717 0.0182 0.0174 0.1126 0.1433 0.1373 0.1569 0.0928 0.1052 0.1043 0.1169 0.0980 0.1100 0.1384 0.0962 0.0989 0.0910 0.0086 0.0903 0.1191 0.1381 0.1408 0.0129 0.1030 0.1576 0.0921 0.1057 0.1571 0.1367 0.2052 0.1725 0.1322 0.1876 0.1581 0.1411 0.1487 0.1666 0.1786 0.2200 0.1692 0.1357 0.1896 0.1463 0.1712 0.1327 0.1571 0.1996 O-Succinyl-L-homoserine o-Succinylhomoserine 0.6894 0.7537 0.8429 0.8021 0.0077 0.7240 0.7263 0.8053 0.7759 0.7910 0.5251 0.0653 0.6124 0.6125 0.6121 0.5069 0.0615 0.0615 0.5417 0.6222 0.6931 0.7646 0.7241 0.6108 0.7770 0.7283 0.6667 0.7159 0.0672 0.0611 1.2209 1.1111 1.2027 1.1579 1.0968 1.0162 1.2772 1.2082 1.0040 1.1914 0.9284 0.8964 0.9208 0.8830 0.9543 0.9016 0.9050 0.9514 0.9312 0.8804 Pantothenic acid Pantothenic acid 101589 9.5392 102345 9.1843 9.2238 8.6997 8.9040 8.9701 9.1327 9.6131 7.3612 6.9332 0.7195 6.3845 6.8385 6.3640 6.6311 6.7869 6.1005 5.3343 8.4753 7.6153 8.5115 8.5929 0.7867 8.2347 9.0054 8.3744 8.5412 0.7645 116521 106126 119328 111756 11695 116895 111608 118778 116169 128661 10388 0.9808 9.3597 8.8323 100811 106331 108774 102429 0.9921 101366 Pyroglutamic acid Pyroglutamic acid 102404 9.6317 103339 9.7274 107154 104192 102101 105172 10827 103286 151048 110155 12447 145636 149303 14386 129759 15074 160611 167676 102899 120026 109346 10563 126603 111842 111204 108441 106563 126302 141596 133848 134642 140539 12805 134166 131259 133259 130483 138669 118239 119927 128156 11559 11683 117531 126964 117686 11508 117331 Succinic acid Succinic acid 932726 945437 846773 939768 879758 931659 948177 935063 971552 969227 665459 810764 706493 738506 7622 744815 738551 703812 738239 683157 962474 812408 943894 899429 815339 85576 909801 830677 946146 762555 907706 827502 845403 891016 857244 87387 858645 852551 865056 923734 974664 891416 994896 941072 921198 971351 1059219 911364 918655 1020706 Taurine Taurine 154831 188822 185183 160986 184222 163747 188523 179707 162732 163825 401856 233997 284298 340119 359237 334973 314708 306736 369824 379796 223593 214142 216229 195901 234241 233395 225302 228554 217323 251311 6.3169 6.8498 6.9559 6.4655 6.1315 5.9171 7.3441 6.2863 5.8646 6.5350 7.7521 6.9580 7.2074 7.6431 8.5502 6.9284 6.4847 6.7345 6.9906 0.6728 Thymidine Thymidine 251796 347354 298265 304968 305387 305638 381814 32402 282115 246299 178659 208744 19593 20064 185731 152355 164496 190131 163167 192284 199119 193708 215255 209578 211994 230154 215958 21244 217186 222629 8.6604 8.0114 8.9499 9.3451 7.5411 0.6846 105537 7.5945 7.1393 8.4139 0.9886 0.8706 0.8458 0.8752 9.1557 8.1815 8.0033 8.8360 8.6754 8.7982 trans-Aconitic acid trans-Aconitic acid 0.5027 0.4746 0.5564 0.5037 0.5338 0.5142 0.5248 0.5219 0.5207 0.5192 0.0134 0.2054 0.1577 0.1993 0.1658 0.0153 0.1841 0.1526 0.1820 0.0193 0.4436 0.0416 0.4790 0.4274 0.4955 0.4763 0.4716 0.4994 0.5050 0.4631 0.2589 0.3040 0.2655 0.2977 0.3051 0.3002 0.3150 0.2707 0.2927 0.3107 0.4856 0.4869 0.5225 0.4588 0.4896 0.5459 0.4609 0.5032 0.5080 0.5194 trans-Cinnamic acid trans-Cinnamic acid 0.1483 0.1188 0.1691 0.1366 0.1378 0.1613 0.1308 0.1750 0.2125 0.2004 0.1707 0.2189 0.2209 0.1828 0.2323 0.1883 0.1985 0.1982 0.1821 0.2108 0.1402 0.1411 0.1575 0.1724 0.1791 0.1388 0.0998 0.1423 0.1161 0.2181 0.5129 0.4393 0.3984 0.4198 0.4406 0.4187 0.4008 0.4044 0.0389 0.4166 0.2284 0.3592 0.2970 0.3257 0.3776 0.3438 0.2501 0.2892 0.3183 0.0285 trans-Ferulic acid trans-Ferulic acid 0.4897 0.0461 0.4438 0.4905 0.0573 0.4783 0.4994 0.0508 0.4800 0.4843 0.3737 0.4124 0.3136 0.4230 0.4020 0.3449 0.4050 0.4558 0.3546 0.4629 0.4130 0.4227 0.4636 0.4681 0.5462 0.5163 0.4638 0.4252 0.4076 0.4438 0.5865 0.0067 0.8645 0.6866 0.0630 0.0606 0.0694 0.6695 0.0065 0.7432 0.5381 0.6938 0.5395 0.5784 0.6553 0.6071 0.6343 0.6008 0.5882 0.5472 Ureidopropionic acid Ureidopropionic acid 161216 200616 200424 169089 195543 171964 202969 193355 183444 175975 481085 299776 35031 430639 432634 421074 383597 382461 450204 450168 238754 228078 232837 21246 244392 245657 235109 237921 237426 266618 8.1986 8.7601 8.4839 8.7279 0.7487 7.6362 121592 8.7157 8.2403 8.3881 10038 0.9586 102655 101548 114866 9.9193 8.8665 9.8975 106801 9.5807 Uridine Uridine 315016 359945 395351 394159 462465 419873 383948 411164 417025 395677 334864 468232 426732 296213 275149 367167 302 307794 308254 288483 423716 406195 37806 512898 413542 371915 402901 351416 429655 481812 5218 515932 557103 519285 532755 598783 460297 518304 586267 462954 499412 514482 411792 434032 525282 463664 457358 501318 441239 499847 Vanillylmandelic acid Vanillylmandelic acid 0.8233 0.7673 0.9132 0.9117 0.8070 0.8392 0.8256 0.8000 0.7901 0.8426 0.6917 0.8351 0.8212 0.7866 0.7993 0.0740 0.8250 0.0073 0.7379 0.6861 0.0008 0.8152 0.8371 0.7025 0.7921 0.7844 0.7494 0.0797 0.7749 0.7635 1.3868 1.4016 1.3307 0.0122 1.3825 1.2411 0.1391 1.3426 1.1865 1.3381 1.0700 0.1069 1.0304 0.9381 1.0341 1.0331 0.9981 1.0329 0.9064 1.0059 Xanthine Xanthine 1090876 1115838 1135363 1164233 1113114 1105434 977047 1137083 1124812 1158288 1232929 1257614 1223766 1285602 1225055 1218877 1298758 1375336 1457535 1446535 1158989 1395004 1261951 1072397 1466887 1275585 1249114 1402861 125813 1243761 1499412 1322647 1407712 1475986 1263734 1348858 1501739 139863 1238876 150217 1306406 1305482 1439235 1636783 1406428 1350554 1428965 1388066 1301737 1396345