Metabolite_name RefMet_name M5B2 M5B3 M5D7 M7C6 M10C5 M11C2 M2B3 M2B6 M2C1 M3A7 M6A6 M12A1 M7D6 M8B2 M8D2 M10D2 M11A2 M4B1 M4D5 M2A1 M2B4 M2C6 M3A2 M3B2 M3C3 M3D5 M1C1 M1C2 M1C4 M6B3 M6C3 M6D2 M12B3 M12D3 M7D5 M10A7 M10B5 M10D3 M11A7 M11D3 M2B7 M2C4 M3D6 M1A1 M1B2 M1C5 M6A5 M12B4 M7A5 M8C1 M11B2 M4D4 M2A3 M1D1 M1D7 M6B6 M6C2 Factors - TreatmentDuration (days):30 | ph treatment:high | DO treatment:high TreatmentDuration (days):30 | ph treatment:high | DO treatment:high TreatmentDuration (days):30 | ph treatment:high | DO treatment:high TreatmentDuration (days):30 | ph treatment:high | DO treatment:high TreatmentDuration (days):30 | ph treatment:high | DO treatment:low TreatmentDuration (days):30 | ph treatment:high | DO treatment:low TreatmentDuration (days):30 | ph treatment:low | DO treatment:high TreatmentDuration (days):30 | ph treatment:low | DO treatment:high TreatmentDuration (days):30 | ph treatment:low | DO treatment:high TreatmentDuration (days):30 | ph treatment:low | DO treatment:high TreatmentDuration (days):30 | ph treatment:low | DO treatment:low TreatmentDuration (days):31 | ph treatment:high | DO treatment:high TreatmentDuration (days):31 | ph treatment:high | DO treatment:high TreatmentDuration (days):31 | ph treatment:high | DO treatment:high TreatmentDuration (days):31 | ph treatment:high | DO treatment:high TreatmentDuration (days):31 | ph treatment:high | DO treatment:low TreatmentDuration (days):31 | ph treatment:high | DO treatment:low TreatmentDuration (days):31 | ph treatment:high | DO treatment:low TreatmentDuration (days):31 | ph treatment:high | DO treatment:low TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:high TreatmentDuration (days):31 | ph treatment:low | DO treatment:low TreatmentDuration (days):31 | ph treatment:low | DO treatment:low TreatmentDuration (days):31 | ph treatment:low | DO treatment:low TreatmentDuration (days):31 | ph treatment:low | DO treatment:low TreatmentDuration (days):31 | ph treatment:low | DO treatment:low TreatmentDuration (days):31 | ph treatment:low | DO treatment:low TreatmentDuration (days):32 | ph treatment:high | DO treatment:high TreatmentDuration (days):32 | ph treatment:high | DO treatment:high TreatmentDuration (days):32 | ph treatment:high | DO treatment:high TreatmentDuration (days):32 | ph treatment:high | DO treatment:low TreatmentDuration (days):32 | ph treatment:high | DO treatment:low TreatmentDuration (days):32 | ph treatment:high | DO treatment:low TreatmentDuration (days):32 | ph treatment:high | DO treatment:low TreatmentDuration (days):32 | ph treatment:high | DO treatment:low TreatmentDuration (days):32 | ph treatment:low | DO treatment:high TreatmentDuration (days):32 | ph treatment:low | DO treatment:high TreatmentDuration (days):32 | ph treatment:low | DO treatment:high TreatmentDuration (days):32 | ph treatment:low | DO treatment:low TreatmentDuration (days):32 | ph treatment:low | DO treatment:low TreatmentDuration (days):32 | ph treatment:low | DO treatment:low TreatmentDuration (days):32 | ph treatment:low | DO treatment:low TreatmentDuration (days):33 | ph treatment:high | DO treatment:high TreatmentDuration (days):33 | ph treatment:high | DO treatment:high TreatmentDuration (days):33 | ph treatment:high | DO treatment:high TreatmentDuration (days):33 | ph treatment:high | DO treatment:low TreatmentDuration (days):33 | ph treatment:high | DO treatment:low TreatmentDuration (days):33 | ph treatment:low | DO treatment:high TreatmentDuration (days):33 | ph treatment:low | DO treatment:low TreatmentDuration (days):33 | ph treatment:low | DO treatment:low TreatmentDuration (days):33 | ph treatment:low | DO treatment:low TreatmentDuration (days):33 | ph treatment:low | DO treatment:low 1_2_4-benzenetriol 1,2,4-Trihydroxybenzene 291 802 857 607 1274 670 531 968 681 409 494 520 458 1056 79 319 437 778 301 599 447 217 1408 416 591 270 425 916 174 313 464 330 807 213 554 561 720 582 412 600 456 510 769 674 84 578 164 522 463 815 798 606 496 1130 867 462 728 1-kestose 1-Kestose 1084 638 678 288 325 386 449 708 365 267 1075 236.5000 240 245 178 270 443 205 463 366 154 192 367 770 114 515 705 722 260 263 456 484 779 504 673 527.5000 357 1689 1606 588 1290 486 237 230 183 134 380 492 297 269 701 1327 327 1039 593 485 549 2_3-dihydroxybutanoic acid NIST 2,3-Dihydroxybutanoic acid 1049 836 976 1408 996 641 506 603 723 497 647 635 404 1211 188 850 607 671 688 683 382 642 1996 1103 596 436 767 669 321 399 951 662 1032 612 873 1123 1002 1132 696 1906 940 992 1088 615 321 827 602 850 995 1706 736 1405 629 1477 1322 851 1411 2_5-dihydroxypyrazine NIST 2,5-Dihydroxypyrazine 15232 17251 15512 13206 10616 13878 11458 10618 16375 12431 10255 17003 10173 17186 10230 17305 17702 10123 14809 21096 6474 15628 21882 19905 14615 11834 11219 7505 14122 5427 17921 16431 29810 24717 20157 19754 17956 25936 16450 25105 21018 28068 30751 10245 8974 16482 8988 13451 20970 17487 15583.5000 24716 14268 14662 17403 15743 21686 2_6-diaminopimelic acid 2,6-Diaminopimelic acid 2911 705 1391 558 2645 2340 1438 2194 3333 1606 1521 904 1217 1540 406 1047 540 4071 845 1608 1022 2186 1320 810 2864 1691 1188 1003 431 726 1574 653 1014 329 796 1260.5000 556 1509 3678 2461 1765 687 2214 1195 1255 2097 731 1385 3757 1716 1234.5000 356 2000 1200 1693 843 1046 2-aminobutyric acid 2-Aminobutyric acid 38987 94163 56245 55738 92734 41601 39504 136923 75393 56574 97509 50338.5000 65908 98020 21064 71683 65370 102570 58870 76934 70964 61084 49988 67438 81003 91284 119223 123491 49818 61049 124781 76160 159192 84050 63730 51689.5000 64767 121647 95232 118565 64879 46357 67963 55015 39382 40391 44912 44131 68907 26103 75080.5000 77217 53059 55011 33203 94731 53083 2^-deoxyguanosine Deoxyguanosine 1540 1382 1153 1788 1410 1575 1637 2150 1565 1109 790 834.5000 774 2125 536 660 655 1454 591 1224 755 724 2226 2110 1436 771 695 1151 534 672 1105 1121 819 911 956 919.5000 1223 1647 1003 1288 1051 1390 1803 1542 741 1652 553 1389 1477 1026 839 1391 1530 801 848 2238 1568 2-hydroxyglutaric acid 2-Hydroxyglutaric acid 9377 8603 8803 7905 6718 18678 10904 21268 6926 5741 6996 8251.5000 5526 10470 6083 8012 5697 10674 4018 7939 5188 5436 13109 6652 9108 9498 11616 18464 4828 7192 10768 8996 16904 10639 13936 10727 26264 35150 8067 21807 13515 12065 4681 10351 3436 14755 4950 7113 5838 9118 8208 8819 6409 10047 7882 13606 7989 2-picolinic acid Picolinic acid 282495 223682 185609 201238 185778 177600 305158 205710 323171 83334 176271 152850 57966 273250 86327 165131 151315 162822 116555 229153 58323 143372 500099 305898 145613 95364 136227 212013 50422 124802 194665 204630 317371 126453 191532 231054.5000 238912 343117 205406 333496 227409 136497 252038 163112 106307 439603 129110 500312 253877 438041 188798 138468 219105 167767 179953 478265 246473 3-aminoisobutyric acid 3-Aminoisobutanoic acid 5770 4199 4106 5589 4812 4845 3839 5226 4746 4085 6323 5147 4133 5330 2717 3389 3207 5173 2784 4093 4379 3680 5627 4404 4920 5585 9822 4441 3792 4783 3632 4623 5298 5377 2525 3462.5000 3572 6121 6439 4942 4738 4169 3884 4674 4684 3504 3706 3757 5004 4303 4766 4148 4377 3990 6634 3969 7889 3-arylcarbonyl-alanine NIST 958 1286 1202 1576 1270 780 1511 1839 749 1091 1062 572 451 1469 854 1182 629 969 1377 659 570 403 5906 2403 2671 370 838 1018 427 441 1341 1863 1014 838 1944 1749.5000 1238 1207 1007 1468 1509 1747 1402 932 1157 3591 1941 793 966 1649 815 1490 1249 1480 2325 2879 1337 3-hydroxybutyric acid 3-Hydroxybutyric acid 471 694 3669 3478 3658 1946 541 458 1072 1497 286 3076.5000 1572 1195 2165 1079 2041 646 1666 819 1530 1515 1226 1346 582 452 920 363 2059 1277 935 1080 4059 1084 508 1204 984 1296 3198 677 2909 842 1565 1104 1855 585 559 409 1786 1032 677.5000 344 1602 4207 528 4999 723 3-phosphoglycerate 3-Phosphoglyceric acid 1478 1524 1281 1892 1002 1562 2215 1789 1901 573 1011 750.5000 466 1336 816 1217 1066 1386 1047 1815 483 1038 1323 988 580 342 1917 1474 320 539 1927 2028 96 2363 1149 1332 1127 2253 1295 2237 2114 1259 1890 919 991 2141 827 2361 1505 3913 1894 1216 1718 1868 2856 2490 3721 4-aminobutyric acid 4-Aminopentanoic acid 22335 20594 17856 22323 18341 21725 18955 20242 24791 16416 8774 14611 8262 23168 7871 14036 20407 27624 10315 20830 7724 12536 25040 16598 18270 10940 16311 16981 11735 13304 16958 20820 23990 16535 18336 17936.5000 28724 23064 21947 24850 18522 23111 19226 14558 12413 33139 16413 18949 22463 30421 17282.5000 20959 12661 23700 21071 21624 28762 4-hydroxybutyric acid 4-Hydroxybutyric acid 3481 3951 6630 5857 9353 4696 5077 4318 8040 2799 2548 3329 2410 8633 2320 2355 3407 6018 2221 4262 2382 2315 10316 4404 4613 2124 2338 5080 1621 1963 3887 3625 5647 2237 2025 3358 6237 5049 2748 4881 2417 5248 8062 4569 2036 7107 2086 9125 4012 5969 3840 6512 5359 8304 5426 4911 7815 5^-deoxy-5^-methylthioadenosine 5'-Methylthioadenosine 271 355 428 339 249 363 251 468 506 229 313 241.5000 182 546 202 196 208 395 185 427 241 381 476 453 359 175 368 211 130 211 228 462 379 311 244 213.5000 281 719 547 270 349 590 416 185 170 553 229 356 283 401 281.5000 320 390 249 500 519 800 5-hydroxynorvaline NIST L-2-Amino-5-hydroxypentanoic acid 2298 2451 2418 2795 2616 2758 3110 2439 3141 1659 2348 1911.5000 1352 3936 1325 2143 1504 3276 1441 2246 709 1298 4445 2924 2195 2004 1982 2881 1357 1313 2359 1922 3333 1802 3158 2286 4001 3758 2119 3146 3111 2499 3013 2124 1814 3658 1412 3420 3074 2935 2566.5000 1741 1979 2582 3374 3457 3681 5-methoxytryptamine 5-Methoxytryptamine 1599 1416 1877 1851 1871 1202 2639 2152 4430 1501 1466 2332.5000 1267 2145 690 1182 1079 1441 1244 1478 1967 3508 2737 1137 5081 2609 928 1312 521 592 1140 1218 1434 1135 773 1293.5000 1789 1711 1096 2532 742 1714 2554 1441 531 3211 586 3610 5475 2987 1434.5000 1638 3415 1775 1433 1217 2659 adenine Adenine 2363 2671 2775 3281 3769 2717 2589 3984 3505 1625 2107 2705 1295 2445 681 1921 1771 2927 1568 3178 1620 1742 6906 3878 3148 1714 2476 2603 510 958 2255 1623 5053 2467 2861 2887 4023 4628 2499 3485 3074 3742 4019 2082 1170 3926 1627 3339 4031 3916 2875 2509 2199 3659 3931 3789 3979 adenosine Adenosine 8032 11708 9418 10551 4697 32436 8350 12151 9571 9573 6693 7389 3322 11489 3642 4236 3882 7396 2757 7677 3793 2191 18463 10445 9640 8055 4531 7133 8905 3628 7861 6893 17938 3851 7046 5606 12173 9208 5615 5978 4377 9473 7462 6257 2550 5248 3256 5632 7714 3311 6030.5000 9912 7479 8520 6604 9527 6765 adenosine-5-monophosphate AMP 16348 25001 26320 17781 16392 13648 26168 47969 21229 13065 24767 16088 12175 22715 19821 18074 10699 16180 15220 21302 18163 12147 8552 18409 29675 12951 22123 20787 8629 14615 22449 14538 13611 23697 13001 23814.5000 21748 27860 18380 11366 33975 21170 32891 24927 11242 22515 11935 24368 19709 13929 23587.5000 26079 27965 16670 31455 21669 23539 alanine Alanine 2374149 3238457 2023533 1764525 2769898 1537351 2278343 2336504 2661195 1967381 2433660 2141561 2206066 1689163 2001031 1401122 1247258 1045345 973620 1891080 1293153 1218821 1060894 1358075 1601140 1768915 2942393 2307283 2216567 1326177 1963443 2017924 2549699 3114595 1560192 1395348.5000 2731939 1516142 2677898 967699 2715022 2098101 1850007 2010072 1946273 2264604 950193 2072747 2271117 2531785 1437539.5000 2083289 1728935 2425419 2679771 1598707 2897559 alpha-aminoadipic acid alpha-Aminoadipic acid 10157 22181 20107 13705 7138 18927 9086 13484 14695 38852 8643 25476 24015 38198 22747 26127 39257 22865 41189 20004 40209 46834 12427 23584 20235 15697 23788 28969 50600 38084 23190 34921 11884 33416 13563 26842 14316 12021 11935 27926 21060 33949 13057 28913 33138 21384 45096 11241 9317 16849 17275 12213 36759 32429 11274 8504 13305 alpha-ketoglutarate 2-Oxoglutaric acid 454 757 370 317 350 524 318 427 325 215 121 438.5000 137 624 627 424 329 676 537 232 186 223 456 554 268 152 343 797 530 284 736 605 465 769 448 1083.5000 480 611 115 619 673 627 478 378 308 781 274 320 216 484 628.5000 297 274 370 457 733 489 aminomalonate Aminomalonic acid 743542 635473 611590 1076687 494573 778134 499182 708736 718706 529001 499753 637043.5000 191182 956879 214812 639580 440908 599213 480941 605577 306695 456869 1227638 975913 877656 297060 432748 493454 266223 441575 597083 433211 842572 443085 1110552 949530 495293 1091352 688360 1133681 868136 962183 653797 424229 297428 953068 506490 1065301 683412 690754 729577 552495 705032 1163521 619200 1019867 734672 arachidic acid Arachidic acid 5258 2932 3950 1590 2447 4447 955 5416 2333 1161 2653 2425 1977 4889 1035 2408 1631 3464 1696 3557 526 2821 4727 727 2554 2367 998 2775 1162 1288 3008 2780 3859 2709 3311 2356.5000 2700 6413 2762 4214 2958 3875 3805 1228 1179 1440 1350 5059 4049 22174 3414 4975 2311 3458 5603 1731 3805 asparagine Asparagine 50701 145027 64806 77231 100846 123742 50709 85560 86384 117667 65385 125747 130422 55854 134311 66506 140318 74946 59381 71514 81846 45903 37967 25485 72083 70219 50719 38902 111321 84974 81497 108891 60148 75501 55967 67608 81837 40922 74779 67074 53206 34721 39857 53805 110272 40537 75333 46855 79173 43868 86306.5000 80575 105607 59419 44103 62266 99743 aspartic acid Aspartic acid 727887 1032330 764606 1103631 810502 831136 640134 877496 791092 663118 615408 757411.5000 636198 799949 669137 649362 860281 489649 545523 814233 337182 486053 752376 635949 567818 449449 502231 398350 564712 479945 669590 752471 1020168 648139 838417 670570 1085595 691869 747696 751158 843837 781195 930923 566473 610841 1010134 445139 1148094 741257 1398541 934232 642877 731482 829803 1041351 825683 1222209 benzoic acid Benzoic acid 3004 2783 2703 2904 3781 2584 3107 3163 2432 1364 1917 1859.5000 1121 2798 653 1637 1983 3193 1419 2934 1063 1035 5612 2734 2336 1356 2397 2992 764 1406 1987 1927 5569 2331 1717 2685.5000 3374 3240 2750 3349 2981 2658 5480 2058 1006 3984 1623 4030 2823 4122 2649 2354 1278 3358 3346 3482 4707 beta-alanine beta-Alanine 17093 18925 20297 30150 28373 19967 20321 26146 27064 9382 10707 11674.5000 8490 22769 6899 8516 11004 19891 7036 29508 7765 9643 39954 18828 15137 10980 14293 17987 6091 8096 13753 16452 32409 14030 12337 17189 25878 22663 16252 18561 14215 23026 36637 13756 8036 28641 8454 28015 23320 30398 19265 17343 15583 23431 21813 25699 33149 beta-glutamic acid Isoglutamic acid 9679 7394 23104 5838 23744 20253 11903 30929 6559 24288 16292 23493 18224 8199 2591 10606 12569 29330 15585 13454 13734 7001 9461 7118 9229 2536 7781 7301 24458 4172 11199 6377 26322 6502 15099 6598.5000 7389 17075 13067 14973 23545 8817 7681 6741 6850 10187 7866 13180 5793 26890 11509.5000 25708 6342 8097 16676 14631 9422 butyrolactam NIST 2-Pyrrolidinone 8360 4979 5807 6206 8597 4572 4626 10669 13594 3904 7094 19116 4821 6753 2842 3084 3955 5469 2739 5857 4586 5176 12754 3897 7221 17104 4579 4102 2360 2471 4853 5771 6532 4298 4451 3646.5000 7618 5622 4755 6522 4506 5160 7763 4547 2351 7460 2852 11484 39586 9185 6407 7190 4245 7150 6028 5203 7627 cellobiose Cellobiose 1463 718 1681 911 603 1283 546 1581 2454 478 917 794 620 816 403 1349 488 1588 958 1000 797 817 570 2096 1315 1341 492 997 164 598 4558 1215 420 315 1132 8703 681 1022 700 762 1336 1159 2441 467 505 1334 1056 1215 359 1052 1061.5000 3184 1054 1025 1389 1404 1840 cholesterol Cholesterol 1731 7546 4076 2129 2153 1180 2549 2049 6900 3071 6859 1610 1463 4706 2569 797 3628 1954 666 2097 3839 474 7597 13663 3562 1240 2019 16173 756 2268 3533 3918 10217 1117 1825 2651 3315 3273 1110 2635 1085 1976 10715 2680 3767 4215 1446 3209 3536 5203 5516 5926 4509 3048 3207 7556 2151 citric acid Citric acid 2908 4876 4310 6698 4291 7636 3365 10609 5744 8555 5887 6656.5000 4467 19291 7574 4383 5820 5391 4776 18026 26687 8473 14238 16244 23225 7473 27226 10362 6069 17328 8191 27022 6019 20399 8885 5835 5671 11669 2852 10914 13907 13062 3713 14647 7982 6394 8860 4094 9338 4997 4588 7308 5054 10149 3122 10227 3977 citrulline Citrulline 141733 81996 83305 82042 95287 89445 121274 113425 76991 52033 86755 61097 51375 72926 41004 60899 49282 99022 58007 76404 47040 33601 127231 66075 83770 33545 82337 90055 32056 53677 81003 84513 96196 102670 71662 60031.5000 114879 110894 117455 93155 81571 52654 114345 66778 45279 134672 46182 124237 91459 171722 89897 76760 60690 73794 151657 89334 111254 conduritol-beta-epoxide minor Conduritol epoxide 2651 2864 2520 2648 1894 5382 2566 2500 3358 1412 3060 4242.5000 1451 2666 1054 1888 2017 1506 1126 17970 1943 2163 7512 2454 3374 2757 2114 1925 820 1909 4017 1825 4846 2475 1479 2919 2278 3657 4997 3089 3392 2348 3080 2010 1941 4431 886 2704 6704 1965 2621 1266 2307 3285 2798 1891 4662 cystathionine nist Cystathionine 66289 115615 92131 132710 46504 400964 194824 323661 101955 177158 148318 161519.5000 50700 254759 122396 327386 206002 60577 337404 291565 93527 84326 321666 420639 178105 117782 119144 54754 138248 235119 246157 134212 313793 68389 320506 503349.5000 89742 634324 140042 271494 296951 310262 83681 84031 126302 108214 196869 132603 87389 127255 322566 196350 418846 343982 249132 258777 216234 cysteine Cysteine 25673 18255 14863 16226 14583 14917 19126 30029 44628 23368 23011 47623.5000 23298 23446 13594 14136 14397 13433 12077 21051 33005 44035 43785 18427 51862 37800 18213 13291 10455 8664 16444 19445 12951 20804 16028 19875 14043 22708 19198 26902 22000 22205 25937 14097 14178 18166 13839 19005 103614 16155 19636 22381 34803 18790 25395 17392 20106 cysteine-glycine Cys-Gly 1304 1230 1442 1630 696 1017 1401 1085 993 978 1043 979.5000 994 1159 855 793 186 1447 698 792 938 1144 559 944 1484 805 1068 803 356 846 883 1058 779 1566 443 915.5000 863 1160 933 308 1244 1189 1267 1554 795 1312 710 1185 1006 986 807.5000 798 1734 956 1746 1158 1349 cystine Cystine 26959 18876 14768 21241 20189 23721 17015 31612 32344 19552 19900 17085.5000 24960 36392 10270 7772 10796 21691 8406 14277 34790 28051 45487 18578 43146 38088 15862 21107 5054 14165 10772 15710 6679 7704 8232 14606 12029 21391 12051 14146 14028 20319 15342 14290 18593 19460 14012 23356 60637 13877 13404 23003 37843 22816 16078 15919 18851 dihydroxyacetone Dihydroxyacetone 1074 8571 542 1198 301 1777 1852 9564 1111 248 1459 532.5000 296 1078 377 657 441 1162 704 711 334 764 2161 1411 1109 38 860 550 231 538 460 636 1737 670 4329 919 1289 1132 787 1034 1042 1017 2640 5170 282 2375 491 918 1471 1162 672 651 649 707 1984 1233 2277 dodecanol Dodecanol 830 854 738 807 928 776 807 1037 682 408 607 481 398 854 568 378 703 782 340 496 343 603 1455 680 629 381 372 801 313 374 697 212 827 347 408 648.5000 823 567 658 883 566 528 1177 544 412 902 421 714 704 565 787 642 770 823 649 979 1177 enolpyruvate NIST Phosphoenolpyruvic acid 1044 906 558 874 965 532 947 671 658 420 602 448 333 619 214 461 423 796 401 622 351 296 1252 747 807 281 796 816 219 355 335 523 1004 970 256 642.5000 871 889 908 846 602 464 1650 739 285 1165 496 1102 841 1523 474 470 501 475 988 864 1289 ethanolamine Ethanolamine 288083 491120 352025 424635 272068 335608 400673 523240 216327 231268 187156 342471.5000 129907 359801 171513 290043 215215 215762 288352 412942 169299 213526 615964 516402 510683 203512 235019 318151 133238 269397 284746 219117 584028 191054 395679 502950 287930 665601 286212 390008 412326 506879 403284 207409 153553 414491 227937 369772 381416 324822 353403.5000 248321 344058 369507 274673 364892 291877 fructose Fructose 289 445 350 428 445 361 802 558 575 221 227 196 128 346 110 256 132 196 183 526 175 230 526 426 311 317 206 313 151 166 277 369 324 254 309 266.5000 706 272 370 235 436 497 309 323 108 373 196 456 453 382 269.5000 419 278 358 575 603 315 fructose-6-phosphate Fructose 6-phosphate 1159 1684 1559 1194 1441 1084 2298 3034 1810 669 1089 1064 668 1307 567 1500 844 1350 842 1743 672 580 2816 1324 1666 1672 1097 2123 573 652 1485 1829 2461 1740 2700 1339.5000 1839 2741 1928 1967 2188 2573 1844 1140 634 2249 658 2235 2853 1518 1484.5000 1702 1469 2452 2238 2543 3571 fumaric acid Fumaric acid 2883 2590 3772 3530 3935 2620 2837 4526 3962 2386 1879 2495 1991 3922 2360 1477 2106 3662 1747 2871 1776 1995 4189 2036 3398 1586 2066 2703 1876 1481 2807 3045 1871 2829 1569 2211 3557 3390 1812 3514 2597 2852 3723 3310 1650 3143 1956 2787 2599 2971 3114.5000 4203 2936 3316 3322 2211 3139 galactinol Galactinol 464 521 468 689 412 866 1032 891 488 191 251 308.5000 176 450 258 261 234 548 125 568 258 184 932 605 379 301 400 706 177 346 364 778 577 108 206 382 621 579 156 654 300 455 820 621 267 884 328 1006 371 1244 569 424 494 584 809 685 645 gluconic acid Gluconic acid 755 556 209 619 537 244 696 657 500 289 513 337.5000 214 279 178 188 218 591 152 354 188 149 450 350 221 192 352 401 117 178 186 308 372 423 213 191.5000 408 468 323 324 300 410 304 224 211 615 118 456 426 625 318.5000 304 298 599 763 515 539 glucose-1-phosphate Glucose 1-phosphate 4603 2816 1588 4523 4368 2842 4386 3253 4529 1067 1970 1073 1205 3012 855 1933 1847 2347 1154 2790 1258 1479 6056 3714 1468 1514 2082 4468 886 1314 2542 2460 4823 1935 1765 2537 3378 3802 2359 5451 2357 3450 4637 2431 981 5801 1446 4454 3060 5025 2464 3427 900 4846 3658 4400 5082 glucose 2 Glucose 81101 85385 82706 105766 58679 111053 137250 216053 85933 43740 74292 49711.5000 38207 43002 40566 28890 47576 41788 24615 85771 42602 22261 53866 98932 74267 57727 64289 82310 33128 45068 71000 87335 46241 52776 143243 66816.5000 86672 116784 70568 114723 109139 122652 21573 95974 33864 97119 49794 70070 38479 54676 72165.5000 68730 75420 79142 79337 91057 65222 glucose-6-phosphate Glucose 6-phosphate 1308 2435 2786 2726 2346 3032 4408 4077 2473 936 1486 1298 853 1925 924 2072 1581 2241 1538 3165 1178 1900 3992 4516 2709 1749 1689 3088 941 1466 2716 3167 2714 2375 3730 2350.5000 2500 4958 2509 3890 3527 3355 3215 1958 891 4134 1425 2472 3722 3095 2476 1984 2109 2349 3838 4549 4318 glutamic acid Glutamic acid 684463 1553620 857384 925992 836022 1039041 397452 1196574 882777 1247586 578887 889997 687968 1495569 884954 1188981 1282564 1412159 849843 877237 491661 578824 613600 551836 832201 830204 853770 804741 1340159 943978 1125880 1176172 809662 711390 1037142 1015238 1195058 1075695 800724 1323029 747013 966196 421907 779712 1322537 955738 1173045 626731 740081 693032 892751.5000 934335 857750 995998 671515 1237286 816190 glutamine Glutamine 96380 138783 92894 72850 110030 131357 50914 146965 135774 123418 83644 90356 96120 104006 117224 84849 114098 92426 69306 80980 78279 44309 58608 34885 74153 53701 97810 82178 114270 100347 100792 117063 95470 106470 68949 58044.5000 80434 47658 120955 99723 75342 69550 53864 83279 117420 49040 108514 57664 109849 52347 98205 106029 120390 89114 39957 90148 86421 glutaric acid Glutaric acid 297 198 197 230 210 364 344 373 385 274 261 331.5000 190 389 122 211 289 254 242 256 311 349 744 418 612 150 234 234 194 275 284 336 362 299 166 198 247 400 232 310 186 321 337 341 194 380 390 384 294 348 216.5000 293 325 332 276 340 320 glyceric acid Glyceric acid 12889 9017 6569 12014 9651 8076 11166 10765 9673 7026 7008 6789.5000 4964 8272 5621 3390 4588 10229 2828 8179 3502 3696 15450 8287 5736 4018 6618 6853 3405 4745 4604 8159 11773 6683 4743 5204.5000 13855 9283 6324 6072 6778 12382 6711 5855 4179 9730 3215 8592 9691 7667 4709.5000 6349 4346 11511 7962 7136 7710 glycerol Glycerol 52417 50824 43335 46096 49416 40530 44993 67227 43804 27385 39919 31482.5000 20733 45361 15700 22743 21049 39475 24301 40021 19359 18636 61284 57529 40712 28706 32683 43807 14125 24109 28949 30210 55135 26574 31435 29791.5000 62438 45742 31881 30287 31525 39723 40468 33094 16896 47681 15128 45843 38752 36596 31614.5000 38830 30876 49270 40776 45533 32860 glycerol-3-galactoside Galactosylglycerol 1376 1254 897 1180 939 1207 1228 2455 1557 651 738 733 335 1032 613 545 635 1068 567 1759 719 702 1670 1460 1542 548 1019 1396 309 833 902 667 918 761 1224 1055.5000 1125 1217 1116 1503 1235 1106 1711 960 523 1746 624 1368 992 1138 952.5000 762 619 993 1396 1507 1284 glycerol-alpha-phosphate sn-Glycero-3-phosphate 32420 18777 17436 15644 13745 16307 25316 24323 24290 6284 16585 9752.5000 4830 15096 7139 8688 8051 23537 6971 13634 5070 9738 22852 17044 13558 4405 22894 21457 4190 9621 14564 19343 16982 19936 9825 15890.5000 14647 22362 16082 24209 18357 15472 21175 16426 12746 54559 11304 26267 17507 41206 21280.5000 15443 20733 20550 30995 27348 29093 glycine Glycine 4360016 1896561 3470787 2451451 2305965 799780 4048651 2961998 3761076 1811783 8109068 1753673 1515890 3005010 1317367 1411904 1893250 3967073 974172 2483660 2305629 1660902 6268537 3340534 3191498 1412802 3849398 2414776 1083172 1411838 1038736 1612280 7380569 3756077 2219814 2936988 2796038 1152238 3123681 973854 2284360 2709711 6787688 2758465 1289796 2649275 1045661 6337949 4827587 3709552 2900560.5000 3001848 2313403 1883912 1542876 4923117 5619129 glycolic acid Glycolic acid 1332 1704 2436 2142 2536 1670 1068 3417 2111 1025 1077 2744.5000 848 1997 304 938 572 2211 1012 1946 895 467 2881 1400 1715 716 1189 1695 473 951 2023 723 2258 916 748 878.5000 2352 1990 974 1102 1349 1487 3430 2051 417 1702 677 2657 1862 2117 1960.5000 2942 1597 1910 1967 1727 1941 glycyl-proline Gly-Pro 5958 2713 7609 5696 8128 12165 6608 7452 3829 5284 4444 8038.5000 7158 7773 10295 3271 2855 3185 4776 10103 5032 6556 7282 2385 8784 9007 4894 3356 4365 3908 2050 5303 2509 11809 4520 5533 3843 5125 7729 3595 4800 6547 5697 7442 3429 5431 4495 2766 21083 2627 4564.5000 2072 8082 4993 4670 6487 5292 glycyl tyrosine Gly-Tyr 886 1590 2001 1322 1955 2316 1364 2723 1301 792 2764 1743.5000 1347 2064 1178 1431 764 1562 1464 1653 1326 1066 1061 2545 1688 1595 1947 1070 870 1060 1204 1210 2071 3053 1316 1255.5000 1303 1996 3746 759 2068 1097 2623 2276 2560 1783 1212 1334 3317 1819 1829 1513 1220 1778 1756 1605 2631 guanine Guanine 21832 11256 10316 18440 22046 10887 21391 15588 19877 6152 12034 6795.5000 7040 9294 5065 8727 8036 13868 6035 15542 4158 5632 20592 9603 9506 7430 8976 14014 6876 6699 10673 15127 16570 13892 9480 12070.5000 24703 15951 12344 12626 13584 10460 22671 10535 6128 18257 7093 21417 26361 27446 16425 9153 11944 16147 18740 24621 21140 guanosine Guanosine 5502 6512 5669 6422 6751 7037 7287 9171 7820 4081 4701 3598.5000 2022 7761 1469 3902 2936 6395 2325 6327 2849 2896 8893 12078 6791 4276 4160 5341 2375 2348 5101 5488 7263 4305 5161 4666.5000 6273 9190 4743 5584 5757 8017 6979 5914 3016 6846 2833 6704 7329 5662 4731.5000 5993 4987 5474 4853 7237 6901 heptadecanoic acid Margaric acid 2100 2008 2464 1345 2350 2051 1949 1584 3734 701 3127 1941 1181 2168 917 1270 1031 2484 1277 3751 1555 1686 4081 3730 1354 1783 951 2305 1073 977 2018 2033 4044 1740 1882 1408 2161 3949 1736 2012 2194 2783 3460 992 932 2124 852 1993 2924 2803 2034.5000 2593 2392 2996 3198 2988 2740 hexadecane Hexadecane 29324 22251 70779 26188 32006 43599 25596 40943 29333 17863 49648 17226 19167 20849 12158 20058 22357 21150 13662 23967 42534 12603 50200 19771 68714 18390 22044 27566 12699 12694 85680 25057 29198 20799 11813 18015.5000 28981 74076 30282 105781 22504 82403 49569 14880 20023 29622 21279 40869 15754 60216 18746.5000 76638 15044 32459 40808 32293 37353 hexitol Sorbitol 265 1875 1017 905 8902 4638 681 1354 3005 1106 2946 3678 780 2457 574 1685 1563 2664 836 18592 1869 1919 8017 974 3267 2718 1705 773 103 1518 3295 9312 4707 2186 968 2688 730 3417 4151 2372 2641 1127 978 1160 1155 2675 463 2059 3594 8789 1905.5000 6285 2266 1633 1242 5150 3542 hexose-6-phosphate Hexose 6-phosphate 984 1227 1316 1385 1396 1341 2153 1983 1280 478 757 893.5000 406 1003 456 1040 792 1177 791 1588 544 799 1940 2136 1182 839 938 1522 457 558 1091 1455 1474 1016 1674 1167 1515 2486 1299 1804 1528 1562 1908 958 527 1911 693 1762 1508 1690 1331 1176 1008 1254 2151 2328 2378 hexuronic acid Hexuronic acid 1692 673 744 1189 838 549 744 1505 704 456 832 32471 414 899 1152 505 884 1034 459 969 457 907 1755 1006 574 510 791 1221 335 694 963 747 463 1186 760 846.5000 1467 1066 878 1071 1079 836 1545 843 489 988 669 1202 863 1363 739 788 395 817 1310 1009 1007 histidine Histidine 216117 321414 190480 257399 159710 214247 270953 257529 229252 293906 121870 197117 334194 265128 274618 301269 265112 138516 271610 255228 269967 291499 141975 264305 201072 277460 160356 90577 332207 102548 327473 233210 90630 258694 244286 228999.5000 147574 271678 209516 157122 303430 449785 256676 240982 120472 168039 290913 175593 592629 153937 195186 163088 455749 244376 209651 183348 178504 homocystine DL-Homocystine 750 938 512 1247 1492 2114 1408 1209 1330 592 1447 1029 618 1685 620 982 809 1609 1039 1233 617 919 2096 2357 1165 712 1570 1277 675 841 1382 1022 875 690 934 1048 1910 2670 1219 1433 1060 1462 1841 1361 936 3700 690 1091 1360 3606 1271.5000 1121 967 1409 1199 1513 5626 homoserine Homoserine 1025 948 527 999 945 465 1137 1255 891 457 1057 711 331 1829 490 623 443 796 521 4204 748 720 2869 1479 927 611 908 746 396 555 1127 552 1348 759 992 920 1107 1039 685 1322 924 1407 1576 502 120 1279 463 1172 992 943 1007.5000 875 1045 1281 1146 412 1413 hydroxycarbamate NIST Hydroxycarbamic acid 9725 19199 16556 19681 25174 20282 16074 14777 27121 7986 10662 12269.5000 7324 31299 7369 7553 10750 21840 6758 12999 5564 14457 37785 16487 13222 11810 8681 17309 5687 6382 12288 14282 23110 7764 7613 15843.5000 19291 19636 8989 17394 10147 21811 29117 12404 5703 23930 8120 23806 19764 19434 9923 14866 17528 35288 14505 26487 31077 hydroxylamine Hydroxylamine 161520 170130 163206 196104 240414 149272 176579 198714 212340 65639 100861 90013 74707 190313 63542 77561 94641 150093 64992 154818 80992 92507 377411 165930 121382 78525 101422 152915 40207 73043 89366 130423 287959 122010 59275 143174.5000 166910 169109 125335 119453 111336 195798 327093 89587 76612 219653 82941 237936 182126 157537 134570 179024 135008 193171 155420 296970 234600 hypoxanthine Hypoxanthine 43997 23579 23643 36855 45625 29752 39361 39180 36004 13030 22896 14843 12676 23665 11338 11684 15669 40865 9379 27680 7675 8187 44658 18820 17350 13267 15636 24845 10391 10019 19587 24817 33671 20820 19714 23659 40482 24964 17048 25637 19700 19472 43683 21145 8762 30252 9476 32500 43622 40990 32060 15526 20641 23993 29578 34528 28922 inosine Inosine 65372 61161 47819 61386 62645 61977 87138 77383 64091 29106 45617 29637.5000 18190 63519 15493 33747 27922 45463 20906 45715 23830 18271 150480 95828 65071 32635 34608 49164 15447 23714 41990 42053 79194 33981 85146 42936 63271 80461 41504 60241 67108 68370 77496 46668 24416 66516 25518 48792 56317 42384 34859 38396 40943 33741 33881 80610 53134 inositol-4-monophosphate Inositol 4-phosphate 374 400 472 515 401 476 476 568 344 233 194 215.5000 194 342 142 311 160 498 333 531 222 294 967 438 361 172 404 582 128 215 404 448 415 424 324 533 402 458 388 622 440 523 401 627 197 1067 283 522 411 740 424 466 483 412 678 620 726 isoleucine Isoleucine 187836 390742 499895 227938 294573 348398 294991 303249 368243 1394746 222273 1336782.5000 1566247 1313085 2205394 1112373 1370771 428776 1599309 516096 2504604 1949849 240308 471550 848620 1511788 488412 628767 2165944 1812164 681901 753787 148977 674852 352539 794949 236059 231409 289791 594066 316984 389545 315887 767416 1455113 540957 1518236 209926 257559 219853 602433.5000 323162 1006335 648514 315638 304249 199580 isomaltose Isomaltose 2174 2135 1925 2160 1838 4186 5258 5765 2419 932 1371 1356.5000 990 1059 1304 677 1157 1071 437 3308 2023 368 2137 2988 3062 1576 2331 2576 693 1602 1469 3600 784 1590 2179 1370.5000 2001 2111 1493 2843 1923 2296 1185 4559 877 4300 1440 1809 937 1993 1793 1069 1839 1412 1431 3118 1399 isothreonic acid D-Threonic acid 1646 1336 1045 1483 1198 1122 1161 1595 1516 931 1345 1125 801 1354 594 833 930 1350 954 1326 745 958 2037 1442 1363 984 1489 1302 532 692 1235 1290 958 1215 1111 1106.5000 1653 1858 968 1741 1522 1086 1249 921 576 1635 919 2425 2512 1871 1410.5000 1152 963 1525 1546 1313 2108 isoxanthopterin Isoxanthopterin 657 552 512 695 570 675 707 686 859 471 429 367 267 540 283 283 397 352 396 543 292 360 735 1064 545 326 279 867 197 430 343 695 607 631 448 360 577 581 681 615 706 710 861 451 234 674 303 1411 704 912 629.5000 731 585 565 766 515 733 lactic acid Lactic acid 5721 7470 8017 7357 6907 9119 10725 9146 8190 3031 8612 7169.5000 3778 6661 2816 4191 3749 9138 2918 7311 3266 5192 14650 6084 5221 7594 8672 11244 2399 4406 6191 5702 20902 18994 5156 6538 31566 34748 8446 8149 9533 10993 10503 10361 2498 14943 3459 11371 7801 14607 6520 8261 7876 8868 12197 15995 12059 lactitol Lactitol 526 659 856 563 506 792 722 1886 792 505 233 332.5000 511 531 124 392 473 344 401 707 503 493 741 1251 747 335 475 335 19 100 407 883 405 444 528 279.5000 548 1514 920 868 619 676 432 173 321 664 573 465 513 588 899.5000 945 1162 1225 797 496 561 lactose Lactose 747 3688 1460 677 362 240 1406 892 714 407 972 588.5000 345 595 163 550 473 769 416 521 685 177 1105 495 391 1263 540 1212 620 301 1348 571 716 470 406 3778 521 3882 951 504 595 1168 730 858 229 617 773 859 429 800 1123.5000 3414 1016 436 657 1049 888 lauric acid Lauric acid 2229 1373 2105 2533 1229 2094 2142 859 2164 746 1635 786.5000 886 1540 631 1484 866 2191 854 1729 1437 1667 4004 1380 826 1255 1768 2077 356 737 1109 1853 2706 1676 1167 1810 1700 2442 2049 3461 1191 1199 2135 1241 643 2538 1452 2698 1969 1716 1191.5000 1766 1793 2649 731 2271 2583 leucine Leucine 638423 1057918 1227457 930644 1049106 993175 1273180 808919 836748 2278979 737293 2086959 2493900 2728607 3349029 1740598 2484437 1078984 2589487 1222670 3971343 3001748 790425 1092162 1883787 2504389 1093717 1380808 2417201 2651398 1433990 1718653 396785 1772215 942389 1509733 903737 818895 999480 1383321 905276 1011437 1068159 1632750 2394243 1313743 2497509 765333 1035507 703361 1276017 630767 1659824 1086492 838278 939071 708390 lysine Lysine 463690 655248 863841 837633 772268 747273 1278964 429339 228142 642854 332338 983068.5000 377781 1082398 1055592 571626 622767 892058 1332916 647079 422126 690479 244947 603188 504065 7008 692500 944528 1724952 1860766 603754 997378 302890 1472821 495612 642198.5000 928042 687260 1157792 410235 659735 744957 966687 1074457 2300396 774351 1120003 436769 23626 577727 584057 347748 382126 585110 771188 832003 621423 maleic acid Maleic acid 5636 3594 6037 6701 8427 7143 2546 3119 7511 3008 3190 5291.5000 6653 7136 4291 3076 3809 7532 2399 4760 2692 1835 7318 3143 2941 4069 3155 3075 6595 3022 4698 5909 5736 3041 3020 3080 9591 5483 3689 6672 3262 7454 3764 4939 3925 4968 2602 4234 5017 5298 4340.5000 8332 4199 5875 3883 3778 7185 maleimide Maleimide 27770 24352 22942 26352 20725 13777 41353 28103 16993 14450 21306 12564.5000 11629 12638 15352 9656 13354 17658 11974 22523 12372 20336 21191 14488 29547 14937 14316 21293 10951 8398 16455 32593 7370 36659 15417 18893.5000 21621 17121 20097 18395 22325 21016 28941 21809 13475 29820 11597 24481 32973 16609 15352.5000 18251 14850 13014 26508 30061 16729 malic acid Malic acid 22634 30124 19595 23104 13317 24255 22067 36490 14836 18446 20994 17289.5000 17436 15336 19179 17345 16718 24178 14453 21491 14889 16861 16505 14139 17140 17113 29410 26203 12292 15374 18262 26113 22496 25516 17797 25100 34677 25706 17337 19899 27840 21203 17153 15179 13934 40992 13028 19674 21145 28770 22435.5000 15933 20107 22634 26065 27712 23014 maltose 1 Maltose 125547 245944 253514 105947 98378 179973 215934 326090 81014 79891 148540 83399 86653 70726 79198 102826 190344 57667 184334 124415 91911 172976 105248 430063 141042 132481 106998 311005 148450 109410 218915 209979 65636 56458 208569 172779 174006 445458 247843 185384 186386 222992 40948 255629 99982 128235 233194 123248 43549 59963 180608.5000 318201 168889 275329 203532 104806 113696 maltotriitol 237 197 586 263 383 469 867 671 299 51 355 235.5000 169 238 158 158 288 186 127 357 274 163 426 543 401 136 387 568 151 238 318 400 306 239 417 269 296 662 403 398 259 449 304 307 121 282 331 486 94 281 364.5000 531 312 345 498 145 408 maltotriose Maltotriose 16477 62045 71236 21636 14945 23186 34518 61892 19488 18297 18322 19957.5000 16322 11820 12512 23197 54012 12471 58635 23803 17546 28405 18660 51194 29287 22760 18518 48048 46326 21182 52767 38288 15510 7333 42377 43114 25089 119375 35534 52204 35611 38192 8820 37205 10279 19465 35480 28115 6447 11623 49312 116273 34089 76085 48668 15428 26759 mannose Mannose 1829 2340 467 2678 817 2072 4613 10984 2543 1307 2224 1441 2141 1973 1420 1460 1333 868 734 3107 2247 1236 1070 3506 2300 2067 1141 2860 524 2997 1757 1955 3070 1598 2332 2294.5000 2736 3273 3807 2057 2704 4036 2066 1149 556 1511 2057 2664 2065 1649 1308 738 2036 2271 2544 2778 2010 melezitose Melezitose 386 642 404 444 422 283 205 373 283 177 160 205 94 208 129 116 497 163 404 316 219 261 497 439 274 174 94 528 335 164 668 358 453 129 347 421.5000 405 225 347 547 249 341 273 269 144 368 323 407 154 223 329.5000 860 259 681 295 242 327 methanolphosphate Methanolphosphate 94083 104500 94290 131766 133547 63099 108920 113692 85175 47826 78906 82022 36918 89028 28343 39575 32769 58311 38059 75230 32033 31277 183834 48727 53109 53132 32423 76758 30076 32919 46512 57114 113520 47424 60616 68922.5000 158572 94180 68577 54859 46393 104514 97136 44739 15510 39266 24728 159499 93415 55184 64041.5000 93779 56272 140865 129279 87792 80358 methionine Methionine 523105 1532723 1184084 1961967 243617 984867 687113 1684999 1464496 1771694 1423309 2123326 1468975 2063413 1943101 3197660 2161042 1783850 3059502 2309754 1501581 2515146 2924741 4263585 2434192 2270864 2759281 1717742 2251018 2304779 3150657 2135496 1141444 1967910 3232773 3201473.5000 2701440 3735253 2587074 3808219 2240502 4136795 1109357 1315537 1739581 896563 2606962 892174 3516709 641362 1967764 2235267 2595118 3035469 2801770 834401 426684 methionine sulfoxide Methionine sulfoxide 331745 69525 137622 125738 127813 257203 146782 486480 359630 165508 195701 244851.5000 186321 238195 153508 156671 168370 168010 209788 263473 241158 221029 482118 218110 359167 176085 173530 182500 96386 154187 197336 218838 134473 216434 141056 217428.5000 208690 211204 226370 281312 190501 120332 210899 98388 145233 228255 200659 235483 661552 210229 183932.5000 155224 169155 221328 237743 202205 191296 methyl O-D-galactopyranoside Methyl beta-D-galactoside 3053 1515 2005 1632 2295 1625 2341 2310 1436 1398 1765 1489 1053 1597 504 976 1220 2273 814 1399 1338 1024 2972 1697 1926 763 1570 2140 687 767 1561 2067 1272 1939 1005 1828.5000 1715 1846 2012 1842 1842 1729 2395 2589 752 1682 1340 2681 1663 2659 1826 3152 1780 1806 2076 1515 3110 myo-inositol Myo-inositol 68912 68417 40539 65592 59757 63268 85454 56875 49556 21236 37780 31424 15648 42449 15763 21327 26232 41206 13676 52794 13896 23669 94491 45899 40750 21614 35464 43472 14277 18985 37249 53255 80016 45202 34538 48849.5000 77673 53442 47915 48871 53987 47354 78941 35929 22980 87719 19087 85993 63292 78399 49342 33987 32236 49812 65420 67433 90042 myristic acid Myristic acid 1283 930 772 1168 1428 1076 1236 1260 1314 523 1027 702.5000 521 1268 421 644 752 1271 538 1338 453 740 2428 1486 967 543 753 1175 314 421 1029 988 2142 1039 848 890.5000 1276 1643 1297 1272 1190 1075 1956 703 618 1178 548 1924 1152 1569 923.5000 802 951 1401 1117 1629 1490 N-acetylaspartic acid N-Acetylaspartic acid 199 274 672 1002 1354 1150 1476 2040 945 755 1150 1352.5000 994 3811 1164 2002 1828 1531 1836 2402 1471 2144 2011 2027 2111 409 480 2943 1197 2155 2551 720 946 2970 1611 2146 1643 2878 1056 3809 2100 2406 2518 2796 1944 3028 152 1837 1038 2544 689 184 2584 514 1412 1908 1962 N-acetyl-D-galactosamine N-Acetyl-D-galactosamine 1154 1830 472 562 939 1548 968 353 1534 236 2611 275.5000 312 674 391 236 73 290 180 410 1250 288 5098 483 482 244 40 3046 104 238 2405 148 592 567 136 326.5000 365 608 463 4248 351 708 605 341 192 3094 1934 420 421 5775 976.5000 549 2070 891 1073 1185 919 N-carbamoylaspartate N-Carbamoylaspartic acid 3169 3560 1624 2881 3032 2812 5034 3839 3163 1548 2720 3394 1150 3445 1075 2149 2548 2318 1731 3523 1711 2801 5901 4149 2941 1925 3175 1644 976 2398 2446 2861 4861 6824 2153 3291 2153 3520 3887 3006 5743 3980 4855 1626 1968 5075 1790 3226 5893 3026 3356.5000 1848 1909 2991 2943 6751 6438 n-epsilon-trimethyllysine N-6-Trimethyllysine 830 1161 891 1661 1692 1045 864 1440 857 1583 1166 1105 884 1671 1239 823 1276 1085 1208 1348 1319 1322 1047 1432 1064 350 1086 1293 1616 796 637 1786 1290 1892 606 1133 1274 1304 1323 1155 1215 1152 1338 1095 1018 1729 1358 1713 1013 3176 1206 973 831 1794 1731 1280 1351 nicotinamide Niacinamide 2195 2375 5219 1497 5559 3802 2416 1700 1467 910 1571 2604 865 872 525 2958 2830 2236 2211 2055 487 1086 8582 1382 824 896 1327 5005 606 727 3183 3386 3412 1681 1841 3353.5000 3303 7296 1959 5381 4456 1604 2901 2049 672 2233 1845 5400 2778 3618 3537 1135 4230 4277 7504 6178 2101 nicotinic acid Nicotinic acid 35659 22439 38683 27572 30406 56908 30202 34872 33741 19493 28441 32888 14287 45595 12750 24038 21624 32852 21691 21618 11628 8206 83398 35366 24355 12865 26281 32743 12815 19371 46078 29232 39761 22372 27519 53174.5000 31071 42558 27034 47460 29545 23705 32544 21011 6342 51154 20808 41954 39219 50655 42157 38323 29111 42782 37605 40505 33899 O-acetylserine O-Acetylserine 2766 4745 5643 4661 3423 1733 4118 3231 4191 2080 3011 2174.5000 1385 3657 1709 2352 4324 3888 2682 3237 1519 2025 4924 3340 2600 1798 4608 4220 1556 2986 4040 3855 6146 3276 2462 2639 5745 2106 3634 6735 4981 3040 5638 3037 1472 4211 2382 7390 4031 7281 3654 2593 3688 4049 3348 4957 5698 oleic acid Oleic acid 1690 1638 1430 1728 2322 1566 1857 1720 1826 741 1376 922.5000 712 1770 575 791 887 1656 665 1009 767 981 3113 1717 1249 818 1124 1307 456 733 1170 1276 2704 1196 1023 1400 1632 2053 1360 1486 1323 1634 2597 1451 699 1882 756 2306 1660 1707 1234.5000 991 1317 1827 1500 2194 2399 ornithine 3TMS Ornithine 5605942 2359045 1945821 2629596 2209192 3137272 3386635 3387136 2130512 1496259 2415505 1592248.5000 1110791 1602465 838425 1302710 997479 2848268 1581930 1625171 843777 687330 2469964 1492928 1932122 605948 2563724 2035803 623393 1132038 1696316 1737543 2351247 2377557 1871175 1988472 2611298 2384813 3148281 2103137 1999855 1265030 2867087 2051279 1063051 3405432 1061905 2626154 2545783 3637053 2600362 1671202 1541836 2032515 3927697 2138424 2157540 orotic acid Orotic acid 17711 25346 7879 8441 3841 1870 20456 27192 6970 6895 4519 4009.5000 4850 3253 10099 5492 4748 3505 10131 8527 4819 17844 3757 9832 11634 5564 6185 10624 3104 6962 7547 11351 1717 8548 10061 8000.5000 5504 7567 3062 4780 14814 4175 12929 8721 4538 22406 7186 15883 6564 12245 4111.5000 1604 12242 5023 12579 6651 2344 oxamic acid Oxamic acid 3094 4366 2946 2946 2029 1903 3594 5376 3285 1806 1697 1865 1266 2248 1686 2027 1961 1543 2099 2430 1414 2537 3025 3762 3147 1447 1651 3080 1161 1791 2187 2550 2107 1550 2626 3500.5000 2211 3639 1695 2509 3467 2799 3018 2392 1707 5289 2323 4394 3322 2593 2482.5000 1810 3585 3080 2541 3688 2504 oxoproline Oxoproline 1409032 2420595 1729142 2034326 1828825 1943500 1073088 2413441 1874916 1967872 1497954 1493912 1177726 1557640 1283601 1599555 2214820 2020593 1308358 1795229 947416 1094141 1323493 1051710 1493096 1341765 957314 1412745 1403759 1455724 2201017 2081996 1826952 1423756 1784661 1438385 1905149 1374774 1659556 2285229 1523544 1654314 1186957 1447710 1732719 1509048 2243604 1397226 1364826 1427020 1694384.5000 1790083 1974013 1714422 1523219 2488481 2159058 palatinitol 1,2,3-Butanetriol 789 546 501 539 587 667 899 527 347 268 585 272.5000 183 514 192 225 281 326 224 296 210 398 1170 708 639 279 391 380 176 144 346 345 362 331 235 747 431 513 423 457 348 449 582 426 207 706 317 641 425 468 468.5000 845 633 270 552 563 652 palmitic acid Palmitic acid 71805 54268 48864 73848 71335 53248 63789 60242 72698 26680 54020 35936 24083 69300 20181 33881 42332 63318 34404 80181 26857 51539 119707 69715 47926 32702 45755 60365 16922 24688 59571 46733 139905 50837 52826 46747.5000 62460 102345 80277 72107 70119 57049 91720 39352 24633 67361 29127 115331 61009 105772 52262.5000 51623 43808 70648 58088 81200 82134 pantothenic acid Pantothenic acid 2073 2240 2156 2130 1416 1327 2093 957 1656 707 1118 1883 784 1745 972 1536 1650 2025 1400 1265 747 992 2293 1389 921 914 1164 1517 980 945 1841 2740 2198 2139 2016 2093.5000 3969 1822 2345 2297 2049 2580 3412 1741 913 3257 1137 3819 3183 4226 1073.5000 1565 1187 2080 2648 2612 3156 pelargonic acid Pelargonic acid 4472 4692 4736 6222 4322 4983 5302 4886 5614 2925 3199 2947.5000 1979 5747 2476 3002 3605 3756 2027 4969 2265 2530 11154 4476 3973 2365 3647 4689 2058 2121 5303 3650 8776 4347 3791 4892 6243 5527 6132 6994 3020 5570 9668 2616 2367 6100 2360 7141 4760 7298 4191 4884 3061 7600 5622 7577 12267 phenylalanine Phenylalanine 250685 394290 485293 310499 291345 417306 329397 298911 338643 1369267 234089 883729.5000 1006164 699532 1754307 1335081 912687 347420 1775180 565774 1100894 1480077 288568 378778 663583 1527894 421066 413981 1504596 1005516 774038 702487 109780 531296 431634 1034047.5000 300031 243186 356602 590403 307388 426075 312539 654794 1535806 467541 1492851 252380 354090 240727 726635 408352 871480 711193 367907 338247 216401 phenylethylamine Phenylethylamine 108529 72168 84351 75201 60263 38181 110489 102117 47866 47460 86165 37900.5000 33271 46769 35542 25347 48951 72455 34209 47048 44004 24116 123420 52952 109281 27066 72719 104012 31884 33124 72318 59875 58668 84107 41373 66446 59178 55342 44336 95006 57697 40471 92322 93316 25289 66554 75692 107939 32230 75068 85800.5000 116247 69364 71901 96989 44907 82905 phosphate Phosphoric acid 24924 17041 15171 19725 16100 19096 18977 27105 15003 9592 11391 8900.5000 6194 11693 7018 11750 11503 13375 11638 16648 7286 9908 20001 18399 12046 6315 12453 13515 6461 8959 16429 17327 16957 15576 14481 20595.5000 20146 32091 13837 29240 21303 14177 22036 11774 9748 21875 10789 22617 11625 28191 21676.5000 16321 15896 16736 24084 22807 21161 phosphoethanolamine Phosphoethanolamine 2659 7949 4248 4956 1770 10645 6332 8713 4816 2894 2226 3698.5000 1382 7437 5245 7590 5709 5121 12340 5272 3954 6156 9552 9826 9639 629 3649 5118 1361 6228 9984 2856 9628 3104 5899 22996 1190 20532 5985 24034 14050 8184 8174 2427 4410 11021 10789 5602 4755 15028 15102.5000 3477 22217 6035 7356 5474 12255 pipecolinic acid Pipecolic acid 6842 1147 1578 1210 3314 1335 1446 5652 9644 7282 8150 17306.5000 26037 10972 2899 4461 1680 2029 3497 10671 45589 26960 10678 5491 20036 15660 9116 1429 1729 1064 3288 4227 3993 2609 1153 1475.5000 1413 1721 3945 9352 3786 1191 4655 1153 550 1094 2627 9971 13311 6844 2454.5000 2266 8315 4148 2556 1366 2156 piperidone 2-Piperidinone 16618 347 462 537 17853 2021 917 31431 19984 7827 16445 43856 79650 5549 611 258 963 852 160 9884 154396 15996 35362 499 33436 77276 2162 1143 182 235 458 3690 534 712 366 482.5000 382 334 836 6189 528 524 1195 328 213 798 1922 18830 186963 941 3002 1029 2274 1877 1072 889 902 proline Proline 444067 2918921 4181499 3222889 5302894 3134886 246691 2550601 2998293 2461453 2536355 2643481 5128080 1364314 2081699 2233908 1943267 1129777 2212736 1970281 2962315 1465280 578485 855357 1850817 3699575 3253090 1804078 3866185 2794034 2532550 2554372 1427339 862761 2461080 752786 2671036 1144952 1149331 1195852 3133905 2014291 280302 2471416 2434342 432481 2154203 577754 1015384 467139 1847038 6531388 1099444 1682184 1149459 933406 1901836 propane-1_3-diol NIST Propane-1,3-diol 1180 1813 1213 1760 1920 1144 1742 1517 1734 628 1457 867 756 1644 531 766 804 1119 583 1340 605 209 4237 1325 782 962 616 1075 277 650 915 1265 2977 1206 790 1298 1674 1675 1105 1274 1129 1521 2513 840 614 2279 655 2078 1639 1669 1291.5000 1604 1226 1559 1600 3108 2461 putrescine Putrescine 64558 13478 25873 103785 100156 76190 121940 62620 79096 36553 13851 37035.5000 61259 44832 50418 31352 40281 55163 21113 24398 45780 29966 34507 43139 48259 21201 46321 77121 53575 91614 46558 77289 17187 63171 17605 98280.5000 170099 54247 91114 38835 8226 95165 52421 33968 30151 97544 68903 48534 41249 95065 28317 57716 77564 19688 50830 27105 61779 pyrophosphate Pyrophosphate 38913 38637 48358 51985 54017 40851 42125 39603 47881 10933 26493 20749.5000 15907 32292 11887 19312 20295 34067 15890 32289 9539 13769 52873 26142 22887 11489 22168 33673 9035 9976 28986 31014 18318 23482 14774 26749.5000 38641 39403 28443 43436 26008 38690 45381 23097 12891 64581 14248 81011 27816 54186 39028.5000 57209 29893 45757 52400 45749 61037 pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid 4897 11710 30835 21159 30077 24304 7907 19354 27312 16752 5774 19545 16718 16965 13871 12719 15744 20520 12936 19807 9571 5341 14388 10118 14899 9328 7626 11467 17825 8619 17970 14354 11340 3768 14466 7472.5000 33006 17067 8582 13706 9979 18137 7597 21045 10521 17005 9386 17730 7812 20134 12495 38413 15639 18170 12483 8817 16421 pyruvic acid Pyruvic acid 1311 1902 897 1231 214 968 176 1947 1175 673 598 1019.5000 369 983 1457 1198 952 1381 1110 670 118 545 1232 1514 549 165 957 2318 307 807 1358 1016 1831 2004 784 1503 1618 1517 1091 886 1308 1471 1221 1024 775 1901 482 262 615 1598 1261 965 1121 1133 2266 1740 2241 raffinose Raffinose 799 428 671 288 325 386 449 359 165 267 790 232 165 245 178 270 259 205 631 215 236 306 367 770 397 408 581 722 441 130 456 112 518 358 556 482.5000 357 1355 1349 588 1026 486 237 431 133 277 185 492 297 269 649.5000 933 458 572 593 485 549 ribose Ribose 11469 10034 7871 9658 9721 10215 7884 10013 15030 7789 6807 6969 7465 9884 6433 6120 4014 9493 4465 7847 5545 4598 14279 12300 8219 6709 6235 8015 5628 5830 7671 6973 12402 5137 8883 7048 9927 8946 5992 7707 6707 10420 7582 4477 6634 6751 5495 7665 9378 6627 8437 7850 7655 10263 6185 8281 6514 saccharopine Saccharopine 683 506 502 882 978 1120 421 968 570 471 553 1203.5000 814 559 748 583 857 1072 381 763 521 423 929 618 630 301 662 374 828 317 570 861 964 569 483 744.5000 919 589 1229 461 609 824 794 581 1028 837 591 448 849 964 756.5000 1165 553 870 1258 748 1043 sarcosine Sarcosine 55194 39616 25217 30365 63310 60285 64140 38602 25802 18514 49773 23443 29938 33401 11749 28912 17651 32640 14244 38992 28708 16124 46825 52406 33253 15005 63265 69166 10965 22276 26892 31036 83713 54411 37127 32290 44273 52923 46562 40634 52899 32102 55478 42361 17537 67479 20245 58190 30301 89083 42438 30542 27901 37877 67618 59519 83437 serine Serine 447349 401395 326591 381967 250448 523341 665905 380806 351961 396703 260274 401392 290746 232016 430477 205417 243120 225922 199582 364987 213980 180624 780467 407817 255335 202746 162164 186596 272952 182885 244406 258285 646991 244582 374188 500816 489043 633339 360251 285148 404014 458355 822405 277975 354202 681752 189997 482277 646051 416383 284573 218032 463868 357687 339025 520722 664247 shikimic acid Shikimic acid 10590 6227 13895 11898 8179 8474 14439 10269 9306 3889 11713 5152.5000 3806 5035 4104 3864 3992 5296 4161 6876 2515 3571 6347 3608 7579 2306 4963 5055 1614 3983 5538 9033 3255 6619 3119 3894.5000 3584 4795 3814 4043 2963 3490 4326 3963 1885 4626 3234 14953 11322 9426 9000 13357 9070 9824 11408 12816 7703 spermidine Spermidine 1028 1666 1360 1127 1593 1710 1776 1908 1859 524 1618 1268 787 1663 1140 1059 477 1795 961 1616 808 726 1370 2344 1290 1061 1242 771 697 1105 1165 1515 1308 2117 852 1627 1479 2350 1698 530 1038 1506 2056 1303 1110 2364 1085 1971 1910 1133 1450.5000 1029 1213 1358 1587 1173 1721 stearic acid Stearic acid 243384 189636 165526 282325 260093 191706 236576 204211 266670 97860 189575 130077 87565 260655 70795 122011 157731 219497 121430 270685 95120 187600 471282 243139 167507 125426 162095 222938 61241 90961 213335 162508 502194 150752 185632 173550 212965 378590 275026 261037 228235 196007 325486 143906 84769 229986 104673 422291 224752 392718 186958 189078 163260 252331 208031 308170 294391 sucrose Sucrose 96 1073 96 131 216 22 489 224 124 52 289 75 28 366 22 102 72 263 14 182 122 42 347 35 41 83 29 210 62 23 30 100 316 79 59 136.5000 273 286 46 56 104 210 434 84 83 185 87 160 143 335 67.5000 173 141 161 312 164 134 sulfuric acid TG 16:0_18:1_18:1 490 1685 457 328 1396 243 1127 1512 462 197 724 353 243 430 729 268 220 127 694 425 345 825 517 504 719 450 635 549 243 822 138 793 488 1240 234 339 299 1054 694 193 1190 356 850 757 659 629 307 938 292 321 315 575 931 296 1043 742 193 taurine Taurine 5536517 2742595 2551402 3870957 5113442 3403914 6421400 1396956 4199336 1367295 2843147 2169527.5000 1699350 1226512 1397866 1032403 2526857 3239703 1264223 2371600 1896500 2888453 3023936 3856617 2594889 1819793 2982103 5840953 620269 1542620 2211196 3389318 3047334 3304011 1938337 2794869 3554453 3423226 3001824 3450120 3657386 3433353 4337398 3819752 1425446 3776257 1099703 4936835 2319098 6197762 3386142.5000 2458375 2816402 1476780 4491595 4081481 3991048 threonic acid Threonic acid 4874 2479 2304 4472 8258 7132 3531 4501 5942 2359 3931 2711 3407 4970 1465 1327 2250 4784 1266 4695 2674 2349 8135 2706 3620 2829 4025 2700 1233 2192 1868 5241 2663 1955 2306 3150.5000 4190 4453 3669 5007 2092 4227 5036 2710 2539 5546 3246 5935 5680 5402 4174 3514 3123 4556 3338 4635 5922 threonine Threonine 80551 165117 85237 81452 122700 249212 94708 103865 102218 578793 99539 461526.5000 396485 461412 707323 459800 533560 165265 563940 172905 803368 336945 96622 164730 366001 261960 207211 169739 687535 673279 290661 229482 77985 208891 65599 416442 116941 99096 137515 337591 150981 127944 91753 150722 394404 100976 485807 91304 204776 76971 253549.5000 97155 238986 213418 68815 97649 109246 thymine Thymine 1461 1336 1438 953 1686 1375 1166 2365 1395 1131 687 823.5000 516 1103 445 640 882 1077 733 1462 664 940 1129 1611 1015 585 1053 1124 428 737 895 862 1014 1324 1038 663.5000 1983 1044 694 782 1680 1049 1320 1206 799 1304 471 1594 851 1649 1417 867 810 1265 1434 1002 1439 trans-4-hydroxyproline trans-4-Hydroxyproline 400368 363936 636444 1035793 430989 3541748 529103 1138808 519959 492738 872364 842035 711723 545030 193688 690221 1411745 3535128 751447 3029693 845383 287114 631822 1440489 897627 343362 741428 900174 274721 443046 968202 449261 802472 551759 885783 678743.5000 298257 2897965 1734745 1470006 1061387 427909 406167 642587 508090 1519832 454130 313538 762015 1079279 1270322 349213 507226 1051300 602582 386197 567568 trehalose Trehalose 31638 39908 30025 54058 20012 44998 27094 60333 17782 20110 11585 12236 22044 13855 22870 24474 22045 12016 37812 10863 23485 35478 26445 86580 37594 31582 27510 62299 11659 27096 25470 51600 8940 6756 171101 38892.5000 41791 91222 25527 30879 80401 41253 9783 52765 21117 33882 47282 26685 11389 5051 16542 43313 36363 51747 25198 33356 18094 trehalose-6-phosphate Trehalose 6-phosphate 387 485 91 509 500 392 589 735 429 149 407 205.5000 226 297 104 220 258 298 191 464 88 253 491 442 297 247 400 461 115 137 289 239 438 277 360 259 429 337 312 259 358 232 457 291 136 373 133 752 275 784 430 467 194 388 857 462 590 tryptophan Tryptophan 102975 191562 194471 93859 94247 157290 144231 108703 154533 463699 99964 312971 384763 323105 561962 656390 330175 150437 795954 317331 572073 616555 105325 414677 289665 638131 190023 200139 651802 521250 385137 378496 52684 213190 224869 425102.5000 88740 130789 148990 272144 152690 220283 125553 340131 559451 254004 627145 88154 122434 103688 276174.5000 162227 494240 362890 177878 163392 79267 tyrosine Tyrosine 781923 1405306 2224259 796519 640995 869870 975400 1159184 1109961 3213504 677041 2250073 2925017 2000252 3113265 4640789 2302764 919098 3058264 1907195 2425827 4384549 547018 1536577 2194989 4695324 1258276 1471356 2198449 3188231 2994702 2209153 293159 1820669 4038931 2186140.5000 608885 652505 1055278 1770355 1494667 1395655 861157 2931328 3171000 1563928 4212168 735516 1294011 693390 2065940 1423895 2908875 2885896 1531880 1515504 526155 UDP GlcNAc UDP-N-acetylglucosamine 7590 5952 4423 6687 7159 5274 5490 5475 5700 1332 4071 2296.5000 1482 3192 1201 2295 1969 3466 1961 2290 1091 1319 4639 3512 2782 1671 2757 2857 963 1722 2914 2518 3576 2060 3400 3527 5183 5331 3517 4816 3408 4896 2878 2452 749 4238 1577 7111 2879 5276 5425.5000 7109 3132 6217 6339 5526 4851 uracil Uracil 12749 10413 12602 10098 8727 10877 7060 11731 11303 8253 5793 6376.5000 4643 14085 5095 5065 5583 10493 5150 7486 4128 5031 16964 10548 7611 3782 7762 9165 2889 5216 9231 5295 10169 4474 7454 11522 11786 8786 5468 11753 7418 9830 11257 7357 4554 13020 4873 11286 11818 13513 10491.5000 9795 9212 12437 9154 9050 9045 urea Urea 534059 352355 267207 484997 332247 209151 349395 407582 295219 174848 189191 177406.5000 119307 207321 112289 118344 84348 402705 134645 207618 82125 109138 496527 259545 185896 102985 218646 247052 36272 54445 174116 178130 343489 176377 215088 295863.5000 103421 200334 264874 259428 167011 172402 385280 245436 112657 531539 119464 387381 307059 386667 207601 192956 204065 265171 292452 376987 303658 uric acid Uric acid 54000 29642 33018 44019 61116 29646 48089 40210 49291 21314 38943 21993.5000 23618 31135 17733 29005 28081 37089 32003 35306 19485 21407 40354 23813 31651 25143 28053 38610 28655 27905 32964 41818 35538 28977 22030 34474.5000 45695 38269 33567 38117 38551 30485 36502 35530 23373 65761 24308 39980 51331 60668 42920 25590 27557 44898 59068 44835 41475 uridine Uridine 23719 20505 13864 18765 17380 12659 19942 19549 16812 4364 11323 5266 2680 9510 2883 7428 5296 9732 4402 7451 3397 8333 19854 16504 6061 6450 8637 12605 3133 4112 8550 10397 10144 9741 9880 10479.5000 11258 17487 10043 21410 11923 12198 13486 9245 3810 14034 5125 22842 14723 14572 13218 18205 9472 12697 12141 22072 13143 valine Valine 402023 714056 665716 441027 572426 570272 583551 569286 610003 1229436 490665 1168080 1547767 1071591 1731326 1049047 1253323 716095 1203622 668182 1606209 1312550 449393 702447 938727 1163189 772987 910208 1618455 1313424 804791 957659 336116 955982 618962 727777.5000 480688 507848 599703 714641 712318 696872 677618 926920 1328212 811611 1238041 511170 633018 443247 689954.5000 470538 1202315 771519 760040 542756 467185 xanthine Xanthine 21511 12770 11268 17271 16458 11132 21983 20476 19125 6923 9646 8839 6375 13043 6560 6635 7712 15773 6073 12732 6190 5884 20386 11941 10170 9762 7017 11322 4978 5966 8151 11402 14886 12566 10469 10639 12613 14575 8607 11440 13819 10838 16157 8816 5833 13254 6915 14529 16209 18645 11893.5000 6218 10668 9594 10590 15577 10229 xanthosine Xanthosine 209 282 180 479 280 223 290 269 296 127 240 61 85 205 76 120 71 153 76 191 154 139 632 388 139 135 156 240 70 122 112 142 448 178 103 208.5000 270 504 160 125 189 285 368 349 146 202 92 371 222 207 165 205 228 217 191 349 391 xanthurenic acid Xanthurenic acid 1549 1806 943 831 722 467 1617 1414 878 512 568 1013.5000 395 830 370 644 1051 689 1104 545 323 756 2408 7952 1056 315 606 703 211 495 980 1073 3864 929 741 1103.5000 795 5653 936 798 1101 1790 947 651 519 3064 701 1153 749 976 592.5000 538 945 565 1054 1437 654 xylitol Xylitol 1180 1862 1316 3711 1715 1251 1606 1627 1236 438 1430 1497.5000 638 1102 415 1021 592 1333 600 954 1526 553 1893 1854 1583 619 1198 1178 446 3105 1059 1828 1393 2657 769 1151 1966 1757 1306 1735 2222 1256 1680 5542 555 1517 1327 1455 1744 2849 1199.5000 1736 755 1501 2098 1198 2645