metabolite_name 10_liver_010 12_liver_012 14_liver_014 19_liver_019 30_liver_030 4_liver_004 5_liver_005 11_liver_011 15_liver_015 2_liver_002 20_liver_020 27_liver_027 28_liver_028 29_liver_029 3_liver_003 6_liver_006 8_liver_008 9_liver_009 1_liver_001 13_liver_013 16_liver_016 17_liver_017 18_liver_018 21_liver_021 22_liver_022 23_liver_023 24_liver_024 25_liver_025 26_liver_026 7_liver_007 xylulose NIST 4141 2801 2327 3051 2850 3859 3356 1587 3217 3091 2686 2176 2847 3275 3388 1840 4432 2564 2861 1788 2662 1780 3707 2653 5467 4920 4127 1631 6098 2107 xylose 1147 4137 1937 2636 6433 941 1984 2149 5171 1614 2347 1784 17434 3057 1239 2096 1288 1028 1687 2158 4431 4316 1628 1549 2043 1991 1623 5454 2104 1843 xylonolactone NIST 2155 1740 2857 982 1674 1850 1741 1835 2936 1519 1705 600 964 1289 1863 1663 2780 1535 982 2176 3243 1045 2338 1137 1846 1145 638 1198 1434 2590 isoxylonic acid 1068 2652 483 810 1680 1203 391 196 948 448 864 393 1283 315 1465 343 91 435 544 415 683 614 2168 481 836 723 384 491 433 266 xylitol 7386 6063 4770 5312 4363 5219 5615 4136 5357 5821 4547 2565 370 4251 3719 3673 6054 5467 7334 7513 6726 4841 4863 3712 5513 6991 5790 4191 6485 8296 xanthosine 1846 1249 695 568 469 954 1899 1334 842 1322 443 291 456 1045 932 557 1383 608 1497 612 633 507 1442 411 1260 1895 1751 973 1719 1551 xanthine 14922 20573 11095 11807 11678 20836 14558 11260 11320 13094 14031 16108 16399 15124 17468 9093 15227 12122 11747 10820 11398 8709 11602 17502 25416 19251 10671 12248 19523 10344 valine 125637 188002 105276 126221 60216 127683 134275 118058 121226 132256 130945 270201 159493 133760 161771 130620 140046 84657 140793 139242 129923 98692 180011 143190 163678 161607 155109 83367 143547 135172 uridine 30082 30457 20684 21587 24816 36910 27009 15916 26829 22409 23050 18671 24335 18740 20707 12099 21488 20610 20856 16950 26566 16716 18469 25279 39890 30183 24560 26828 29109 22382 uric acid 172 213 252 143 298 238 153 346 233 174 292 265 278 211 222 197 181 241 158 238 187 164 128 260 134 273 122 377 140 228 urea 190253 138564 326743 199469 159880 177272 162078 186666 200556 258245 272922 345293 337600 364553 97289 248049 223001 115990 175644 219530 254553 190427 201970 121734 205864 205702 205695 259104 218563 194307 uracil 5991 10456 3555 2544 7086 8545 3757 4433 4195 2949 5835 16032 8793 7844 11270 3336 5607 4358 2776 1946 2998 2622 4159 7887 16026 9035 4363 15848 9328 2594 UDP-N-acetylglucosamine 1826 1570 3890 1799 3257 2483 2740 2278 2503 2653 2297 2437 2429 2575 1695 2930 2810 3157 2889 2921 3134 3170 2732 3156 1161 2935 1730 1136 1869 3647 UDP-glucuronic acid 855 2590 972 1157 313 1003 868 628 884 640 1078 631 944 1144 1381 652 938 564 1067 621 895 802 2304 810 862 1001 611 587 942 894 tyrosine 59020 95867 81164 80177 50864 112829 97314 71675 85834 79671 71576 153116 98843 102443 80246 71410 63399 93514 95455 81718 55992 61945 77974 70361 35646 95304 68368 59116 70784 72019 tryptophan 20629 26419 16712 17570 8647 19365 25984 15354 18885 15071 18366 31502 24252 19924 16687 12238 22267 20868 20105 17424 13936 12852 16285 15888 16461 26096 13150 12316 22506 21041 trehalose 7027 6082 3780 4765 3280 7436 5735 3263 3238 4059 3807 1723 2018 2544 3571 2212 3906 3441 5166 3499 3928 3259 5525 3104 6144 6572 3074 5700 6999 4026 trans-4-hydroxyproline 818 1547 868 862 517 664 885 421 958 806 706 1143 1135 1022 547 641 943 867 575 508 954 806 600 1617 1413 1259 1038 1226 1239 1121 alpha-tocopherol 4253 2747 3747 4221 3345 3685 2435 3573 4591 3742 2604 137 1920 1784 4410 3363 2969 3711 3234 5847 3603 2977 2839 2727 1502 2032 1367 2042 1315 2782 threonine 48580 63016 41373 54451 27638 52604 53277 41017 49119 38865 59030 96910 63655 66111 54492 41323 47214 69208 52198 47000 47016 43085 62464 42313 51748 65602 52099 17724 59866 48537 threonic acid 387 641 433 325 362 416 302 448 413 483 458 581 459 638 461 446 513 342 305 293 394 536 343 337 289 394 343 393 219 328 taurine 22986 41684 87412 9037 291833 31135 81810 173163 201494 31226 79109 517371 144968 101909 512436 289168 289465 25561 63694 217618 185726 97945 223240 64134 43154 63798 195964 25342 159968 159425 sulfuric acid 1031 213 911 63 8060 1923 826 2404 2791 626 996 3484 480 829 2477 2812 955 561 1334 1247 1659 1072 628 790 1085 428 544 92 1292 917 sucrose 416 780 229 82 14490 1185 514 5302 185 30199 138 155 542 301 468 2717 86 441 780 733 95 139 251 235 131 231 246 758 225 184 succinic acid 248 399 501 189 1666 321 213 577 370 379 1821 1685 1562 402 1118 297 331 292 399 283 332 426 1485 312 333 332 244 1316 146 405 succinate semialdehyde 270 470 655 537 10318 258 361 438 407 464 285 571 642 520 7478 341 394 9262 504 220 376 341 699 398 471 409 467 477 859 462 stearic acid 290991 401621 305879 353384 421801 288448 287320 277997 370436 282126 381233 272854 344819 338971 292682 361638 273164 324249 345218 283986 327570 429373 292347 389632 281174 277659 245174 1180927 350149 272771 squalene 1555 1251 2721 1774 1485 822 1906 2099 1784 1922 1297 535 1200 2030 808 2003 1842 2701 1504 1189 1443 3207 1605 2953 2698 2694 2612 1678 1720 1808 spermidine 777 212 3247 473 213 603 2196 959 721 931 274 373 552 535 423 654 800 441 477 527 271 390 336 438 182 716 298 699 567 976 sorbitol 15675 7773 19666 18896 12295 6677 28035 10901 14601 29733 7482 3261 3938 6408 2253 5370 3615 16541 44836 15581 16944 12071 13957 9157 13687 23802 22144 5412 8939 15682 sophorose 198 280 215 199 105 289 201 160 114 216 155 115 113 121 135 150 141 106 120 110 181 193 232 228 167 215 191 262 223 130 shikimic acid 2841 4392 3294 2344 1414 1051 2064 3599 7329 1164 1751 3663 4219 2497 3087 1198 3021 8285 1309 2656 1269 1415 4253 971 6101 3756 1812 1169 3752 4205 serine 94779 154549 86978 106246 96497 158206 141530 95416 102062 89746 133717 228079 138659 156037 128123 92310 88875 172097 112532 79423 76300 93688 117868 98630 110692 143955 101058 93336 144551 72605 ribulose-5-phosphate 439 162 773 520 398 701 504 998 1134 659 678 797 1481 1663 1227 1051 993 503 604 359 357 435 353 1044 258 683 512 494 410 839 ribose-5-phosphate 993 378 2887 689 1831 1132 982 3012 1750 1943 1018 301 584 1211 1319 2852 1773 1105 1529 2073 1523 2710 1601 1532 360 1383 373 630 505 3580 ribose 84713 42161 56266 61820 86032 90783 90942 51973 55139 58722 44343 22254 38054 48244 68439 42868 64933 64831 71975 44291 52960 39285 83941 56764 103698 130908 82356 34440 97574 41895 ribonic acid 2227 10491 921 1502 1213 2592 1319 372 1289 528 1055 1220 1416 1221 3731 923 1152 667 1441 600 1068 738 7318 834 2005 1646 701 463 2741 990 ribitol 9587 6636 4238 6073 5029 6914 8257 2469 3657 3883 4296 967 2557 2755 1324 1024 5965 9182 4963 4169 5688 2079 2844 4373 18620 7071 3599 3147 10259 2800 raffinose 60528 123202 19931 47615 84541 81419 87783 67494 83582 82984 53529 2064 16162 24952 62771 51963 18918 41495 81311 17518 49559 41287 43158 68671 75088 35324 27122 189281 31198 21504 pyruvic acid 2890 3410 3366 2619 1135 2939 1742 2009 1936 1864 1801 1315 2210 1205 1267 1556 4519 2565 1497 5803 5275 3829 3093 2501 4742 1778 1767 3230 4598 4588 pyrophosphate 37178 6423 100824 68997 36262 24177 35771 43585 42119 51315 42442 32463 49707 60632 26396 43086 63493 67008 42235 87065 62498 72347 45580 63472 26054 57548 51431 10236 35651 69783 propoxycarbonylglycine, ethyl ester NIST 2987 4564 3175 14680 1870 4850 6265 12144 4253 2127 17576 3076 7504 18065 2235 5042 1449 3287 14671 1002 7091 4489 6561 4276 6130 11430 13848 3224 9523 3770 proline 85199 155669 47219 76061 33974 74211 99680 94951 72461 65427 93041 200189 144820 83652 77589 51108 82548 45908 61025 104538 79699 43890 101142 86337 137249 128226 105879 73098 125659 87929 pipecolinic acid 270 444 369 292 403 206 265 437 450 451 280 716 1236 401 524 394 291 131 229 378 459 270 412 652 349 289 698 628 254 468 phthalic acid 1043 4220 972 1196 3223 1107 3243 2974 2993 1146 7067 1197 2719 1150 2956 3547 943 2707 1038 9721 7989 2512 1236 3541 26156 1458 1503 1547 1209 2084 phosphogluconic acid 1118 1605 1929 1241 1388 2954 3503 3058 4175 358 714 1997 1956 3180 5382 2682 3153 3505 639 1942 1057 1300 1162 2619 2163 2264 1800 1421 575 2475 phosphoethanolamine 1052 499 3171 928 1468 1346 1361 2231 1154 1283 2483 23455 6116 6805 4249 2426 4726 119 78 2482 1329 1515 629 2108 1271 3100 1645 528 2622 1159 phosphate 159445 172257 204468 133453 165487 169982 160334 168983 183601 180490 162502 156391 161024 191219 128059 182874 167650 165638 184919 161049 171136 183262 156816 182269 174294 190436 166360 150286 150588 168889 phenylethylamine 3946 3655 5251 3608 6343 2883 3749 6322 3604 2934 2284 2087 7151 3132 3793 6133 4154 3527 3676 2390 3051 4403 3975 13973 3452 5567 2981 4516 5237 4750 phenylalanine 48456 66333 27051 44938 24046 60378 56998 34173 44571 36340 47447 101914 55695 65743 55891 37421 47151 63089 51596 37795 32707 30775 64512 36842 54455 65831 41346 20318 55637 38808 pelargonic acid 6529 2440 11019 8386 5804 4396 4573 7257 8863 7894 5880 4198 6789 9274 3606 7188 4430 8286 5710 6652 8491 7349 3467 6971 6116 5787 5122 10410 5621 7713 parabanic acid NIST 576 672 1667 976 291 344 1683 390 831 401 716 827 2178 987 256 764 1744 679 856 2037 599 650 1149 966 427 1703 637 765 1377 603 pantothenic acid 508 840 329 369 329 204 405 351 482 137 420 312 390 314 219 377 377 169 273 380 392 388 450 646 653 475 351 445 386 355 palmitoleic acid 5694 7132 3518 2800 4454 1478 1822 1556 3942 3296 2137 1631 1515 2659 2205 1486 4583 2936 2838 3174 3968 2685 6771 2694 3530 1349 1522 1918 3345 5438 palmitic acid 116382 114239 96975 84124 115505 84431 81267 77118 102553 78004 90956 65894 87571 102640 87576 91075 92593 93272 83682 83893 91435 89168 107522 87870 83997 71248 62701 152518 86731 91312 oxoproline 475886 238509 650564 470880 580154 578224 373863 517983 653790 598264 518356 549585 532641 649648 463567 827606 438973 626606 534247 589101 460173 664518 335305 336870 285989 424245 437476 277105 362387 615741 oxalic acid 82 828 350 306 240 421 213 347 265 372 275 532 293 416 494 369 260 303 204 333 205 132 223 501 95 205 113 1657 330 113 orotic acid 144 154 127 178 179 943 1474 307 297 225 505 404 337 282 314 257 137 850 422 146 182 287 259 108 154 182 444 585 786 97 ornithine 6682 37013 16440 21644 14319 25552 39031 25791 21077 12955 19180 81041 64112 52405 32184 32925 19909 19855 27830 25438 10036 17323 22242 21919 11271 50743 38014 18885 33789 15543 oleic acid 31004 41546 18422 17343 29429 11915 14093 9271 27428 17614 14194 8645 11553 16547 12781 9861 25012 15573 13004 19142 19955 12282 29610 16520 18875 9812 9174 13069 16590 18052 oleamide NIST 376 616 685 273 326 187 359 452 488 505 684 278 351 311 284 332 664 400 367 606 456 362 398 257 628 428 239 1883 491 483 octadecanol 304 205 410 331 256 274 189 249 848 281 320 220 259 376 247 264 182 195 226 236 188 179 206 416 253 339 234 436 271 244 N-methylalanine 2153 10641 10281 9854 6473 3111 7332 6447 5780 6260 10968 6382 9678 7458 9327 7951 8861 5010 4683 10303 11700 7308 5630 17721 32879 9480 9932 7251 10042 8613 nicotinamide 65361 91324 92701 76718 105793 69832 74275 81422 89785 80236 58732 47423 55053 67769 80849 83092 83700 88266 94059 106014 104581 109213 105343 69082 80181 85710 73644 38669 77693 93718 N-acetylmannosamine 823 2366 422 445 459 615 463 381 524 418 956 298 1058 830 624 364 577 351 563 302 377 307 523 553 1961 1160 390 342 1042 526 n-acetylglutamate 2374 1543 3559 2639 3058 3446 2239 2752 1567 3265 2041 2209 2065 2751 1249 3468 1951 908 2231 2971 3301 2402 922 1799 1815 1908 1626 1989 1235 3460 N-acetyl-D-mannosamine 2739 2451 3654 2573 2550 4520 3122 4499 384 3933 3982 3706 9621 8530 5790 4650 4806 3576 2487 2764 3014 3485 2777 3801 901 4611 2573 3769 575 3224 n-acetyl-d-hexosamine 20601 19234 17726 15396 16638 13874 19347 11554 19537 19729 10842 1771 3802 5649 8941 484 15452 14280 16485 17997 23128 15005 19549 2121 25707 22266 16264 7555 21789 15692 N-acetyl-D-galactosamine 1478 8266 1175 1422 1353 4059 1413 298 1949 1446 2756 1881 3627 2940 2176 1343 716 1271 745 987 1542 1269 2000 1766 6750 3995 972 2240 3237 1645 N-acetyl-aspartic acid 722 67 298 129 291 115 77 210 283 152 147 356 257 206 195 176 185 213 131 103 164 153 76 243 170 268 337 146 114 133 myristic acid 2966 3271 2870 2330 3066 1489 1871 2055 2558 2452 2731 2435 2541 3205 1955 2253 2611 2494 2156 2119 1712 2593 3036 2587 2357 2236 1802 5260 2015 2570 myo-inositol 19867 20485 29344 22670 21851 35684 26894 38633 36939 31509 30460 30714 80947 70041 47942 39329 40256 30388 19797 24280 23473 30300 21207 32162 30879 36220 20926 31937 29970 25786 methionine 13699 29598 10554 14693 6470 19425 20896 12795 13944 10863 16624 57074 33860 1205 25236 13647 16449 18383 17450 14839 11899 10133 30095 14563 21197 24547 17696 7605 23329 13495 methanolphosphate 7505 3546 12077 11455 16667 8154 7839 17722 15522 9210 7702 9125 6375 15261 7842 12460 7645 5980 10702 8453 9945 10632 6729 10961 5399 7330 13503 9428 5841 6011 melezitose 2834 580 1425 1021 624 1067 1828 719 1239 1396 200 102 578 1302 962 735 1871 1418 114 1143 1278 799 1710 976 2182 2534 1745 753 2149 1365 mannose 393380 320029 233649 379386 118434 259248 276729 177965 373520 274959 304341 192662 234250 224150 218180 136610 317615 332297 256534 260158 350366 219148 260173 374937 480012 482354 351596 161971 479809 218557 maltotriose 126613 15228 86694 87198 37956 44007 76629 35828 40943 54681 80112 4935 30323 47913 67886 31052 85232 77278 50442 58325 57766 51942 70870 57636 95646 109643 74787 24380 104769 65714 maltose 1182032 634524 607168 803731 623789 1059063 939310 531127 619275 897304 946379 274240 309432 399164 719488 388255 624821 670266 945349 488165 670276 540836 735636 788512 929285 872545 680443 1492290 783838 560584 malic acid 18474 15239 10903 18722 10008 31109 40570 24504 25815 21662 28352 37207 33435 34901 26082 33193 22780 33212 41046 10117 11456 30501 31718 27594 24713 44924 31736 28098 23256 38466 maleimide 921 2348 2480 1602 620 2283 2167 1689 2155 1630 893 6031 4690 5345 3921 2358 1336 2168 1879 1472 729 1695 1848 2197 803 2335 1065 1934 1652 1290 lyxose 2783 2800 3898 1520 2970 2926 2512 3114 4166 2116 2140 727 4885 620 2438 2520 3636 3552 1589 3071 4647 2049 3421 1951 2508 1648 911 1706 1971 3369 lysine 19658 15306 32706 18902 5958 13306 26841 16329 21017 19407 21389 23290 53385 19461 16482 10685 36129 19568 17629 30719 21578 10113 22451 23326 10688 54379 14444 16530 34907 23111 linolenic acid 2244 34357 13018 10723 15630 12607 5744 12565 16934 14065 11273 7969 10451 10404 15248 11818 18491 13408 16151 10635 15817 13088 6521 17317 7285 15962 3949 14090 6251 12394 linoleic acid 16572 35187 11004 10460 1483 11794 17354 11768 15491 12843 10692 7556 9959 10069 14625 11540 16310 12826 14154 9238 14055 11999 30153 16581 21660 15480 13983 13563 17911 11401 levoglucosan 545 1737 935 932 2214 482 522 1051 1782 827 872 889 740 1145 529 1235 947 1202 833 1011 1095 2034 1045 915 503 666 1078 1025 611 796 leucine 148566 215620 127900 148075 65344 169939 183764 155029 150759 137976 161939 370044 242416 171143 216002 142565 168547 82116 176751 164860 136838 97907 255016 162809 175561 216015 188701 96223 183460 166475 lauric acid 3636 1790 6262 5115 5212 3952 3274 4863 3146 3348 3267 3756 5988 2106 3543 3841 3392 6219 5147 3613 4990 5024 3863 6475 4291 3334 6914 6222 4407 4176 lactose 12838 12626 7811 4332 3560 7767 6551 4503 6466 3039 3345 4499 3673 4048 7775 2103 4871 10113 4164 5017 2829 2640 7861 2823 9308 6707 3825 20877 6445 6699 lactitol 1835 3994 1693 1965 919 4341 2141 746 1528 1723 1467 794 787 1003 1014 774 2098 1192 2662 1859 1211 261 2609 803 2069 3399 1436 1769 3699 1605 lactic acid 231511 248373 198409 194213 223324 170172 186547 231018 196796 204256 110281 221240 217282 256505 83107 174868 324656 159355 171299 253889 247197 192831 194398 116892 180304 240628 247071 330264 260510 293245 lactamide 437 658 291 436 430 522 476 662 389 546 379 548 592 677 269 411 575 442 343 485 502 465 385 391 332 510 490 1004 521 586 isothreitol 103 682 3731 48 14643 3104 3633 2588 206 4017 120 106 133 148 78 797 71 92 4172 130 140 835 7245 5806 51 406 378 4721 87 84 isomaltose 1024 1196 676 729 685 888 652 636 723 709 615 363 473 701 188 417 792 544 704 869 768 639 696 505 949 865 554 745 1040 655 isoleucine 76139 100739 66719 75967 40290 82180 75771 70931 72164 70625 77957 141302 86405 81138 91407 65093 81782 100331 78909 73386 64215 53410 100571 68404 87153 96283 77176 43682 78885 83559 isohexonic acid 529 1115 1237 558 925 670 937 975 254 537 756 1400 1249 1307 587 1066 709 817 1063 1321 897 1539 1075 1071 922 1465 1169 1709 1259 1325 inositol-4-monophosphate 534 352 1471 1317 450 1731 1394 1804 2301 1550 1012 917 1094 1030 2494 1760 1714 93 243 439 325 1142 351 1505 311 311 1134 922 154 1755 inosine 5'-monophosphate 7187 17482 11338 6998 3729 1959 5065 19431 12384 12977 9794 121 5350 8375 4849 14420 23773 14591 12195 11202 13174 11401 16894 6030 1421 5789 6188 1001 5769 14960 inosine 82287 100216 94923 80554 136013 88635 122809 72026 105118 99772 70509 33565 71710 82190 92881 45625 102127 87653 79725 56499 80564 59245 83207 111878 116851 122374 81453 93064 81854 57693 hypoxanthine 54270 71079 49421 50891 78511 99777 61295 44103 55266 51683 51248 82806 71558 67270 94344 33517 55055 57346 40564 30566 32305 37551 42188 77177 129284 87172 43901 72896 81968 27492 hydroxylamine 6449 785 12288 10059 2862 2969 2592 1890 4150 3721 4882 1266 6164 6466 4994 2741 2259 7800 4223 4722 3635 3556 4249 9603 4630 7952 4495 3083 7553 1064 homoserine 151 253 615 214 3525 266 569 764 262 517 251 167 309 238 152 289 179 143 213 185 173 376 172 165 138 206 286 5003 224 169 histidine 7181 31995 34365 10712 4455 6675 25078 26056 2116 3086 10157 8917 40950 19503 18307 15719 33836 13888 12729 21292 10331 9872 19039 26104 23294 49652 22717 12733 17915 14139 hexuronic acid 24201 20830 29099 22410 27796 42057 17298 22968 19788 24722 32026 2066 11343 16969 17950 26993 15828 25892 40061 33775 32119 31769 40356 42899 22512 28531 21388 38796 24972 10089 hexose-6-phosphate 1580 1969 2243 2004 1615 990 1522 2763 3609 2133 4890 6286 4998 3698 3958 1876 4357 2451 1318 2239 2486 2017 1730 3037 1402 2605 2069 2039 2191 3193 hexitol 1064 1784 1443 1038 1720 959 910 843 774 1044 761 751 839 2022 1582 764 582 709 843 1148 1079 1055 720 956 814 1179 793 1170 960 1003 heptadecanoic acid 5388 7213 6627 5917 5707 5695 5457 5841 6466 5321 5834 3999 6114 5854 5318 5526 5937 6907 5251 6311 5564 6622 6016 7470 6095 5242 2991 12310 4445 4999 guanosine 1379 1341 1087 564 2797 1406 1232 629 598 1125 685 680 964 882 1807 486 944 342 677 479 805 547 896 1707 1417 1504 746 1341 894 566 glycyl-proline 866 1462 878 904 510 1335 2798 812 1086 1039 992 383 959 695 689 490 1493 1054 1558 1201 792 716 1382 1021 868 1401 972 242 1341 1027 glycolic acid 860 416 1131 882 948 748 804 647 794 981 1257 652 867 1121 486 1378 893 1117 1102 844 1024 1341 575 623 730 560 1014 1829 760 1035 glycine 157342 263176 148247 140508 117059 182519 149016 215765 235956 194998 212283 265995 187520 198103 193844 224930 197492 133377 183701 180799 181544 155362 193464 180024 188460 181051 134623 184366 173159 190538 glycerol-alpha-phosphate 4155 1927 3130 5592 4357 1609 4067 11762 2879 3872 4243 15748 3293 7555 1604 3846 10218 5238 2837 5298 3995 4405 4338 7262 4024 7237 8692 6321 5675 7783 glycerol-3-galactoside 1209 3735 806 909 1299 1095 1342 756 935 730 586 1150 868 1216 1248 440 1115 901 1409 779 664 541 2462 874 1001 915 730 870 1264 686 glycerol 209073 168584 133017 143241 166039 88498 150724 97444 169087 140842 105392 89156 118156 141657 102403 86389 166590 137236 154781 125590 141114 98742 220035 124966 159789 134557 148777 97041 154385 167812 glutathione 7309 7688 17281 3845 44127 9719 7506 18047 31029 5517 12719 14645 9972 27464 16121 21360 7998 15596 13126 15357 13016 20241 3134 5228 8327 6538 19770 5491 10793 24904 glutaric acid 191 1413 256 259 674 209 263 1568 239 4051 272 220 441 244 308 1531 152 269 239 717 120 106 182 336 142 174 313 296 179 296 glutamine 6303 2620 15225 13501 14215 17488 6272 12611 13941 16776 6666 13239 18664 14077 6289 16347 3977 12526 12804 7588 4219 9055 2570 6138 1697 7437 5789 10507 5857 8442 glutamic acid 69430 238315 53846 56774 29345 79034 84607 72129 68666 49944 103401 194726 93504 98247 215156 59387 90055 95464 69391 64859 78314 89469 195602 66599 169417 150113 100081 42190 92837 66961 glucose-6-phosphate 11523 16364 22550 14186 17243 7827 14027 23798 26120 20915 21152 23423 23060 22793 20436 17048 30861 3303 11699 15984 18821 17122 16242 2445 8282 16969 17081 8710 16103 28862 glucose-1-phosphate 4179 6090 10759 6329 18265 3062 4894 6391 13510 8814 8474 10121 547 7794 11223 16397 13007 6285 5449 11450 10522 11894 11936 3793 2230 5802 5488 2174 4324 11943 glucose 722408 578747 852027 819691 679210 554156 549403 713832 900942 683296 709897 378813 617344 636108 516747 623720 299478 667612 744109 510732 639701 685351 422075 822012 604371 749690 777807 948489 678627 622759 gluconic acid 782 1121 647 671 331 1138 1228 511 1404 1144 449 231 479 605 868 360 756 872 1341 720 609 369 914 560 968 1266 928 728 1343 745 galactose-6-phosphate 98 177 268 146 79 93 27 208 331 45 193 171 61 102 174 214 155 131 96 125 124 140 142 148 71 56 93 234 90 158 galactonic acid 798 1182 569 714 395 1499 1272 508 1387 183 618 456 399 686 880 542 708 844 1436 459 570 392 885 546 1096 1140 972 773 1490 290 fumaric acid 15849 12451 9183 16813 8329 29753 32353 20876 23948 19984 22643 26212 29059 27766 24274 31411 19910 26607 33400 9238 9834 28600 23481 27398 21007 35019 24660 19129 17385 27298 fructose-6-phosphate 9864 12256 15814 10864 8692 9117 12299 16754 18915 14098 14042 16234 16495 15908 14001 12413 21523 14010 10831 11119 14978 10911 10578 10071 5818 13835 13377 4422 12190 19608 fructose-1-phosphate 1232 373 935 742 1609 417 374 1460 4110 98 677 773 764 1349 712 515 1712 431 1398 1209 1191 852 869 860 442 1121 720 483 1076 899 fructose 34778 45290 14405 19860 10083 24896 22344 10406 23172 22240 14981 5197 6290 8152 7946 4478 20805 12791 13542 18339 19886 10665 20255 13413 29644 47568 41051 10852 53196 11879 ethanolamine 11914 7815 14286 8842 6956 9458 10664 9033 7219 6191 15678 34210 24266 21057 20416 9208 16876 12194 12285 11772 8912 8809 8184 14655 25513 21909 19440 14398 27901 151 docosahexaenoic acid 3552 4281 2571 2526 2656 2136 2067 2094 2430 2232 2102 1946 2049 931 1623 2696 3000 2704 2126 2494 3156 2392 4966 2274 2455 2030 2255 1760 1674 2354 dihydroxyacetone 181 1665 1206 1868 7004 2821 3469 1358 1554 2404 1690 4533 1587 1267 883 860 2074 548 261 801 384 863 1566 1423 1382 3831 2704 1480 3429 1435 dihydrocholesterol 994 924 1115 1102 1503 687 1020 999 1221 864 714 108 545 552 744 782 190 658 903 883 707 1060 551 1108 662 627 561 673 514 885 dehydroascorbic acid 25955 18258 36452 29581 36047 19182 24662 30577 42547 23705 24980 72901 38999 38647 17126 27842 35024 29787 26363 45816 41498 34227 21488 29250 16857 30946 25436 7040 19698 44064 dehydroabietic acid 735 798 1097 1072 1145 834 706 920 1253 974 874 730 1004 1219 811 974 760 831 704 746 790 946 562 1176 601 713 523 1737 754 722 cysteine-glycine 1731 1341 830 3364 3357 4382 957 2196 3495 3510 457 3643 611 2522 1361 3259 1594 1234 643 1258 543 818 3083 3278 1215 2323 945 3149 2715 1104 cysteine 200 2824 1071 1664 503 793 2144 945 1530 784 500 3744 8873 2357 1573 503 1375 1517 3101 2601 240 1153 5348 2728 395 4233 1958 1547 2583 1488 cyclohexylamine 1781 857 3375 1688 1929 2410 1603 1889 2036 1735 1757 1316 2001 2072 1914 2213 1610 2292 2235 1273 1309 1851 1125 2098 1293 1493 1134 2645 1700 1561 creatinine 2941 6938 16601 3289 6455 6698 2831 9342 3956 3361 3184 18584 6846 10507 5263 3570 3465 3381 5673 1589 2619 2961 3840 7005 5041 5290 4869 13109 4318 5966 citric acid 22975 50119 26532 37454 21219 34739 11751 20115 31863 11250 17195 29577 27954 30487 28078 28794 19465 25579 10475 54787 28972 41954 17947 17215 13901 24725 13096 13346 38876 30367 cis-gondoic acid 4570 5850 3965 3621 6124 2439 2821 2736 4571 3159 2549 1896 2269 3174 2325 2284 4717 3091 2134 4078 3935 3393 5831 4260 2917 2290 1981 2875 2813 3813 cholesterol 315926 331447 395664 346422 394470 362328 336975 421043 457995 385311 326769 281 454500 498828 412980 482538 388342 373808 336163 328051 312298 367849 303057 451407 329589 367482 258839 313622 227617 362095 cellobiose 18951 18259 8040 8593 6598 11317 10374 5884 5526 8200 9866 3855 3814 406 8996 4370 7599 2772 6074 6082 7515 6066 11219 7460 14915 10802 6523 33603 10488 7618 capric acid 361 234 734 502 345 534 406 511 556 479 188 266 568 623 344 471 361 525 332 329 402 574 203 688 486 404 460 619 419 588 beta-sitosterol 3756 3174 3502 3619 3510 3584 764 2879 3053 4044 3085 1950 1147 1934 2575 3580 3505 3211 2936 4154 3626 3701 2489 4306 1745 1292 1758 5746 633 2628 beta-alanine 3041 3869 3072 6261 1713 478 3345 4586 2323 2234 4528 6639 9104 6125 5592 4622 4452 5200 4813 5769 4208 4365 2652 3736 6589 4370 7901 2996 5852 5238 benzoic acid 1464 748 2178 2227 1749 1561 1444 1928 1703 1890 1823 1186 1644 2456 1531 1704 1338 2396 1518 1234 1797 2248 980 1466 1340 1437 1210 2554 1059 1622 behenic acid 1274 3832 1818 1891 1827 1589 1441 1405 2495 1538 1827 1001 1207 1530 1964 1496 867 1450 1608 982 1490 2088 1187 1510 1258 301 1021 2916 1338 1528 aspartic acid 38047 68806 16001 30261 16186 60503 54531 38727 35756 24262 67499 205708 54822 60141 70554 51449 42383 46793 43928 25724 21615 52028 45199 44070 60584 79266 54680 37337 64283 37227 asparagine 2388 5587 4140 5930 3001 8350 7952 4897 6382 5651 3879 24622 11357 9673 11138 7208 3875 9142 4040 4600 3036 5150 9336 4622 1828 6781 4999 1675 3340 5374 ascorbic acid 4011 3148 2523 2792 1497 2822 3128 1934 3058 3634 2247 1431 728 681 1426 1394 2801 705 3275 589 3743 2545 319 2250 3048 4044 2874 2758 3599 770 arachidonic acid 29210 48445 21755 20287 19471 21921 22108 16936 28177 20250 24204 19731 17164 15207 15152 12305 25737 16534 22279 17664 27558 16043 28749 21657 28277 21313 14703 15970 18382 16939 arachidic acid 4909 6193 5260 4302 6061 4896 5165 4371 4332 3975 5476 1804 4414 4137 3616 3765 3210 4307 3568 4816 5076 6582 5389 5611 3957 4547 3365 14917 5086 966 arabitol 833 912 1033 1059 1188 968 3955 2244 1263 1475 3059 1589 2581 1801 1883 1931 1165 2300 1102 1356 1423 1488 904 3396 1644 1125 5202 2385 2798 1338 aminomalonate 8254 974 10541 6199 2006 3724 6316 4410 5185 5633 13322 10127 9930 11581 6061 4787 13723 7687 4859 13896 7911 8810 10766 4553 8806 14600 12226 748 12561 13686 altrose 853900 493110 1221685 1122109 1097869 930022 838227 1147185 520908 1144734 948369 662659 963584 1039115 832582 1046342 760469 938103 1042275 805354 914958 955857 637945 1241917 729632 413903 1089426 264712 754580 811035 alpha-ketoglutarate 336 448 329 219 191 223 165 184 318 185 218 367 331 348 242 238 229 222 125 245 284 353 426 241 498 246 279 463 279 295 alpha-aminoadipic acid 316 316 350 382 563 193 3545 1865 765 508 1873 324 176 582 1132 1286 597 1644 228 655 586 956 325 2419 624 887 4702 1407 2187 724 allantoic acid 5214 8572 4090 476 1692 874 2232 3837 3308 3721 2475 4557 4395 3711 3854 4445 315 3507 2433 3779 4151 524 2968 3012 4488 3049 2152 4490 4168 3980 alanine 1246685 1445419 1225502 1464554 1328857 1068601 1341370 1486467 1429509 1194812 1233666 1120120 1345808 1123742 925892 1289899 1496267 1486345 1066030 1776000 1699282 1675125 1377218 1138692 1384368 1243614 1514987 1185589 1472237 1678056 adenosine-5-monophosphate 3542 8481 17050 14387 7010 1564 4997 15955 7007 11464 4121 447 3031 5535 3958 15509 9436 11426 14728 21236 10587 22458 9916 4778 1060 5323 4234 1983 3901 19061 adenosine 2805 3223 10352 4370 4272 2096 2758 3503 5492 4178 2666 115 4352 4893 5987 6493 3635 4128 2729 5126 4238 5660 2676 5610 1662 2808 1760 1661 1288 3807 adenine 1110 1633 3528 1589 3209 2263 1436 1940 2629 2504 947 2079 2165 2152 2039 2313 2008 1541 2902 2717 1507 2583 2454 2426 1384 2636 1380 1138 931 1817 5-methoxytryptamine 1115 118 1444 386 306 369 416 463 638 557 386 1024 962 1121 471 378 1301 540 477 445 419 589 348 475 417 409 663 249 390 739 5-aminovaleric acid 168 658 290 436 492 236 619 1502 588 5203 316 802 1041 325 355 843 314 291 3024 2024 410 312 475 279 231 394 943 308 327 224 4-hydroxyhippuric acid NIST 306 205 231 307 276 359 255 270 328 395 453 231 217 296 86 253 286 345 240 366 155 318 127 241 261 209 135 388 245 383 4-hydroxybutyric acid 331 235 418 451 528 296 271 292 310 463 163 281 314 294 211 301 354 324 238 330 319 230 245 234 225 346 347 402 641 274 4',5-dihydroxy-7-glucosyloxyflavanone 595 1744 587 1126 743 1348 1033 910 1099 285 145 536 734 811 1162 701 1165 794 1247 1204 1065 873 1349 675 1181 1273 708 948 1281 1039 3-phosphoglycerate 317 179 252 153 247 372 186 309 183 185 340 237 382 228 172 238 320 315 168 342 194 194 154 335 386 314 192 765 191 194 3-hydroxybutyric acid 9913 10051 6038 6706 11940 11440 10453 5081 5844 6201 3354 5548 7757 5692 5401 9144 4432 6127 11086 9418 8009 307 5405 3826 317 11048 12035 10031 9368 8786 3-aminoisobutyric acid 578 651 542 1163 642 527 892 1108 1612 720 662 793 1137 1210 811 1672 542 488 1031 810 657 517 715 1044 1135 762 2468 1169 700 878 2-monoolein 13003 17526 8237 5780 14746 3653 13358 5243 9299 8053 6349 19208 7584 5635 6079 6705 14171 6059 6211 10553 9132 6136 17492 6026 14291 5357 7436 10196 16430 15846 2-ketobutyric acid 1189 707 1737 1588 3049 1358 1123 2145 1857 1315 1172 1115 1283 2328 1648 1991 824 2290 1444 816 1498 1749 1084 1681 1303 1088 2280 1173 642 947 2-hydroxyglutaric acid 768 568 887 984 760 481 563 594 828 483 813 1391 956 1077 546 714 1031 651 708 1108 1196 912 381 699 1174 874 560 945 965 1112 2-hydroxybutanoic acid 6467 4892 5808 6639 4405 3413 7045 6160 4984 5652 4248 4607 6189 6727 3714 7293 7808 6512 5185 10599 7767 5108 2837 5459 3971 6678 6062 6729 6991 8746 2,5-dihydroxypyrazine NIST 7986 15914 6385 11177 16310 4964 7346 11519 8004 7084 4979 5462 8313 16292 13642 12502 13808 12304 13999 15716 7664 22440 11899 5403 4170 8566 10094 3823 8294 9830 1-monostearin 2068 1133 1263 632 1010 930 1522 1065 1114 620 775 644 1094 1114 347 689 1266 832 1045 931 1583 540 851 991 1548 1938 870 684 1220 1089 1-monopalmitin 2320 1960 2035 734 2320 236 820 936 1586 799 1061 1039 2156 2193 667 1773 298 896 1263 406 874 1835 879 1129 1257 1019 877 1580 768 1085 1,5-anhydroglucitol 3472 3921 4613 3391 3490 3050 1978 2396 3029 3447 2670 4220 2250 3271 1298 1938 3228 1775 2857 3839 3968 3767 3171 1042 271 2271 1453 3230 2810 4343 metabolite_name ret.index quant mz KEGG PubChem xylulose NIST 553450 173 C00312 439205 xylose 543267 103 C00181 135191 xylonolactone NIST 535176 217 C02266 439692 isoxylonic acid 590775 189 C02341 10264 xylitol 567437 217 C00379 6912 xanthosine 926133 325 C01762 64959 xanthine 701688 353 C00385 1188 valine 313502 144 C00183 6287 uridine 861508 217 C00299 6029 uric acid 730691 441 C00366 1175 urea 329351 189 uracil 385816 241 C00106 1174 UDP-N-acetylglucosamine 625003 226 C00043 445675 UDP-glucuronic acid 585473 217 C00167 17473 tyrosine 671252 218 C00082 6057 tryptophan 780482 202 C00078 6305 trehalose 948197 191 trans-4-hydroxyproline 460061 158 C01157 5810 alpha-tocopherol 1067809 237 C00376 638015 threonine 409568 218 C00188 6288 threonic acid 497572 292 C01620 5460407 taurine 556690 326 C00245 1123 sulfuric acid 282411 227 C00059 1118 sucrose 918352 361 C00089 5988 succinic acid 370608 247 C00042 1110 succinate semialdehyde 297024 113 C00232 1112 stearic acid 787622 117 C01530 5281 squalene 976237 95 C00751 638072 spermidine 774747 174 C00315 1102 sorbitol 667922 217 C00794 5780 sophorose 965726 307 C08250 441432 shikimic acid 611100 204 C00493 8742 serine 395020 218 C00065 5951 ribulose-5-phosphate 735908 357 C00199 439184 ribose-5-phosphate 731096 315 C00117 439167 ribose 553135 217 C00121 5779 ribonic acid 597646 292 C01685 5460677 ribitol 575497 217 C00474 827 raffinose 1120886 361 C00492 439242 pyruvic acid 211668 174 C00022 1060 pyrophosphate 327517 110 C00013 1023 propoxycarbonylglycine, ethyl ester NIST 412557 116 proline 364716 142 C00148 145742 pipecolinic acid 404121 156 6931662 phthalic acid 567345 147 C01606 1017 phosphogluconic acid 847013 299 C00345 91493 phosphoethanolamine 604335 299 C00346 1015 phosphate 345365 314 C00009 1004 phenylethylamine 510327 174 C05332 1001 phenylalanine 537804 218 C00079 6140 pelargonic acid 399229 117 C01601 8158 parabanic acid NIST 464991 100 C00802 67126 pantothenic acid 690887 291 C12276 6613 palmitoleic acid 706508 311 C08362 445638 palmitic acid 713809 313 C00249 985 oxoproline 485935 156 C01879 7405 oxalic acid 260513 190 C00209 971 orotic acid 586317 254 C00295 967 ornithine 527113 142 C00077 6262 oleic acid 781527 339 C00712 445639 oleamide NIST 849710 144 C19670 5283387 octadecanol 755409 327 8221 N-methylalanine 285825 130 C02721 nicotinamide 471602 179 C00153 936 N-acetylmannosamine 722897 319 C00645 439281 n-acetylglutamate 477776 158 C00624 70914 N-acetyl-D-mannosamine 731296 205 n-acetyl-d-hexosamine 746341 319 C03878 24139 N-acetyl-D-galactosamine 723255 202 N-acetyl-aspartic acid 548028 158 C01042 65065 myristic acid 634414 285 C06424 11005 myo-inositol 730022 305 C00137 892 methionine 483560 176 C00073 6137 methanolphosphate 289520 241 13130 melezitose 1146704 361 C08243 92817 mannose 645856 205 C00159 18950 maltotriose 1176044 361 C01835 439586 maltose 946601 204 C00208 439186 malic acid 463180 233 C00711 525 maleimide 245118 154 C07272 10935 lyxose 541086 217 C00476 439240 lysine 663483 156 C00047 5962 linolenic acid 780376 108 C06427 5280934 linoleic acid 777414 150 C01595 5280450 levoglucosan 569637 204 2724705 leucine 346101 158 C00123 6106 lauric acid 547840 117 C02679 3893 lactose 935640 191 C00243 440995 lactitol 959541 361 C13542 157355 lactic acid 217657 191 C01432 612 lactamide 265698 232 94220 isothreitol 464779 217 C16884 169019 isomaltose 983199 160 C00252 439193 isoleucine 359251 158 C00407 6306 isohexonic acid 698302 333 604 inositol-4-monophosphate 846510 315 C03546 440043 inosine 5'-monophosphate 1016811 169 C00130 8582 inosine 897434 230 C00294 6021 hypoxanthine 619128 265 C00262 790 hydroxylamine 253158 146 C00192 787 homoserine 443878 218 C00263 12647 histidine 664395 154 C00135 6274 hexuronic acid 667373 160 152867 hexose-6-phosphate 806282 387 C02965 208 hexitol 704741 217 C00392 453 heptadecanoic acid 751309 117 10465 guanosine 954962 324 C00387 6802 glycyl-proline 691662 174 3013625 glycolic acid 227215 177 C00160 757 glycine 368707 248 C00037 750 glycerol-alpha-phosphate 590747 357 C03189 754 glycerol-3-galactoside 800205 204 C05401 16048618 glycerol 344466 205 C00116 753 glutathione 761296 213 C00051 124886 glutaric acid 421596 261 C00489 743 glutamine 600315 156 C00064 5961 glutamic acid 529100 246 C00025 33032 glucose-6-phosphate 818275 387 C00092 5958 glucose-1-phosphate 594647 217 C00103 65533 glucose 659798 319 C00221 64689 gluconic acid 693148 333 C00800 6857417 galactose-6-phosphate 828102 387 C01113 439404 galactonic acid 690882 292 C00880 128869 fumaric acid 390016 245 C00122 444972 fructose-6-phosphate 804279 315 C05345 440641 fructose-1-phosphate 803180 387 C01094 439394 fructose 641863 307 C02336 439709 ethanolamine 344719 174 C00189 700 docosahexaenoic acid 902819 91 dihydroxyacetone 332120 89 C00184 670 dihydrocholesterol 1082070 215 C12978 66066 dehydroascorbic acid 633423 173 C05422 440667 dehydroabietic acid 850374 239 C12078 94391 cysteine-glycine 715335 220 C01419 439498 cysteine 500158 220 C00097 5862 cyclohexylamine 225912 128 C00571 7965 creatinine 502599 115 C00791 588 citric acid 617342 273 C00158 311 cis-gondoic acid 851223 367 C16526 5282768 cholesterol 1078536 129 C00187 5997 cellobiose 932179 204 C01971 6255 capric acid 451790 229 C01571 2969 beta-sitosterol 1128225 129 C01753 222284 beta-alanine 435564 248 C00099 239 benzoic acid 338990 179 C00180 243 behenic acid 920648 117 C08281 8215 aspartic acid 480387 232 C00049 5960 asparagine 553078 188 C00152 6267 ascorbic acid 672898 332 C00072 54670067 arachidonic acid 837115 91 C00219 444899 arachidic acid 856421 117 C06425 10467 arabitol 570685 217 C01904 94154 aminomalonate 455754 218 C00872 100714 altrose 651039 157 alpha-ketoglutarate 507392 198 C00026 51 alpha-aminoadipic acid 573295 260 allantoic acid 726050 259 alanine 243971 116 C00041 5950 adenosine-5-monophosphate 1038688 169 C00020 6083 adenosine 918039 236 C00212 60961 adenine 646534 264 C00147 190 5-methoxytryptamine 864466 174 C05659 1833 5-aminovaleric acid 536657 174 C00431 138 4-hydroxyhippuric acid NIST 784581 294 151012 4-hydroxybutyric acid 325027 233 C00989 10413 4',5-dihydroxy-7-glucosyloxyflavanone 980985 361 C09099 92794 3-phosphoglycerate 610734 227 C00597 724 3-hydroxybutyric acid 278829 191 C01089 92135 3-aminoisobutyric acid 309837 102 C05145 64956 2-monoolein 941794 129 5319879 2-ketobutyric acid 225358 89 C00109 58 2-hydroxyglutaric acid 506306 247 C02630 43 2-hydroxybutanoic acid 259536 131 C05984 440864 2,5-dihydroxypyrazine NIST 397526 241 23368901 1-monostearin 959214 203 D01947 24699 1-monopalmitin 901749 129 C01885 14900 1,5-anhydroglucitol 633969 217 C07326 64960