metabolite_name P_Aqm_1 P_Aqm_2 P_Aqm_3 P_Aqm_4 P_Atov_1 P_Atov_2 P_Atov_3 P_Atov_4 Blank_1 Blank_2 Blank_3 Blank_4 Blank_5 Blank_6 P_CQ_1 P_CQ_2 P_CQ_3 P_CQ_4 P_DHA_1 P_DHA_2 P_DHA_3 P_DHA_4 P_DMSO_2 P_DMSO_3 P_DMSO_4 P_DMSO_5 P_DMSO_6 P_DMSO_7 P_DMSO_8 P_JPC_1 P_JPC_2 P_JPC_3 P_LF_1 P_LF_2 P_LF_3 P_LF_4 P_MQ_1 P_MQ_2 P_MQ_4 P_PYN_1 P_PYN_2 P_PYN_3 P_PYN_4 QC_P_1 QC_P_2 QC_P_3 QC_P_4 QC_P_5 QC_P_6 P_TQ_1 P_TQ_2 P_TQ_3 P_TQ_4 Adenosine 124545 135396 175120 111348 238839 210124 172604 131988 0 0 0 30117 0 0 182814 154569 141795 143204 134075 123419 188746 134677 154845 213957 156618 129763 203802 153668 170200 153910 97997 83646 137331 141757 110178 171676 149389 174721 137145 215840 119797 89944 156919 177378 258950 270758 194691 193977 210238 172025 175413 140486 132541 ADP 226703 530441 209339 584539 217819 360513 526205 877995 0 0 0 0 0 0 389577 445716 600264 233441 306599 219503 269325 228149 381389 540433 423275 284718 346160 317512 331591 315750 177723 457238 272385 663817 264099 232367 293559 388678 318485 287750 174719 170066 303137 728247 1229069 1210494 1058508 1074476 1152579 244312 245540 195843 289430 5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol 137031 174850 268934 164056 358459 286096 295762 302831 0 0 0 0 0 0 266227 172928 217916 382827 234328 242041 319326 290339 268711 178454 197487 229058 245115 289724 304376 193598 213579 271304 262429 193900 127747 268417 82675 96678 264312 98646 172869 148432 245199 254175 361468 269999 253334 362625 287513 400464 274478 258082 191178 Nicotinamide D-ribonucleotide 54167 113181 155170 145458 187217 237852 225587 137922 0 0 0 0 0 0 157995 185945 204760 163114 153689 65486 147049 107060 131757 134104 209596 138772 175070 172655 179506 93960 59391 87521 163027 111871 135423 89999 68594 98670 103292 228016 76917 161364 149720 126050 326772 347397 368550 326998 314386 183597 78873 115462 106008 CDP-choline 87146 148564 120083 118895 143360 139793 163092 118758 0 0 0 0 0 0 151752 156946 149980 126194 133176 75782 155989 127097 152308 160365 163802 117917 143220 116878 161099 79644 99010 130642 154538 103481 137186 172928 115299 122488 130160 152869 109355 86600 191657 250958 273665 296187 264201 211172 311903 123971 122028 143818 149243 Damascenine 166885 162349 477544 87373 529871 197090 140181 86734 20424 19239 16571 22288 16430 19197 125254 83887 85734 339425 113334 195958 304928 247114 111422 94954 86761 242699 241595 202544 186526 66698 247840 118241 327034 110007 78023 314013 71167 150863 194958 348868 243973 294110 350271 81533 117236 117456 143073 141194 114287 478700 308743 323614 250252 Trimethyl-2-propenylpyrazine 225168 179938 198921 165008 155897 139222 143627 128648 183769 199863 183586 174178 192271 179923 198968 147338 243444 209718 171895 177414 111210 174355 206398 181512 159559 189346 213477 219493 166096 187775 157144 177327 237193 146956 186266 198641 217569 202255 201311 200406 157806 208388 167563 0 181042 170979 190524 114333 175027 156636 256061 207760 174112 Convicine 18767 67895 41836 74019 47301 54724 81056 74622 0 0 0 0 0 0 59493 81338 65399 33047 52435 44181 51378 66802 69009 64221 77472 51563 48834 44875 60487 47742 43757 76765 49981 95976 39271 43324 45199 66498 43088 57708 45169 20768 46774 91760 76134 89337 76916 85330 106684 45188 33751 35587 53540 Asn-His 139740 235946 181575 221868 0 0 0 0 0 0 0 0 0 0 30933 0 0 35285 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 310352 224044 163723 286922 82287 98579 72337 89387 94563 67751 0 0 0 0 [FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone 40362 44548 110940 75112 179359 130662 106076 99613 0 0 0 0 0 0 102944 79183 96750 129846 93800 68281 97324 117702 132562 88562 78936 112743 138087 97321 132446 31876 77935 41005 91143 113571 39620 89577 78631 46424 88835 83994 48323 85310 96489 0 160684 181921 191555 190669 153521 157253 60461 116497 76713 Glu-Pro 548427 869792 1034144 835463 1278065 1294280 1143963 911017 0 0 0 0 0 0 1149341 1086783 1024479 1197301 192995 198912 258294 229023 1096398 985681 1068242 981605 1165638 1017642 1021053 204567 237627 220684 813214 772352 663378 857571 205948 278842 311750 1187673 860158 830693 1152091 1136800 1294891 1304795 1281138 1332027 1195202 1263776 987094 981354 1016083 Glu-Glu 0 0 0 0 0 21782 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 56563 92437 107382 91001 94425 84590 0 0 0 0 (1R,4S)-fenchan-2-one 6033847 5246426 2637299 2115992 4972419 3786279 2749345 1661160 30183 32614 22690 27045 30427 33410 2581632 5107763 1896696 9353688 2332052 2219326 3467538 8779157 3092704 2893486 2533840 3141815 3972431 3536032 3116208 2141833 2638238 5998101 2567250 1636159 5665428 6429868 2536463 3145274 7551638 3764291 1814252 2554935 2710578 1411603 1891081 1704786 1741881 1758642 1904697 3064870 2777452 5082089 2866762 Biotin amide 277796 499308 558719 416279 672113 619753 550129 421056 0 0 0 0 0 0 564983 505610 509830 586716 442619 414383 635683 536230 527818 517586 484327 513284 543956 510242 481874 323460 432346 465777 484912 406104 369723 463078 346249 485755 547701 542756 529078 375645 519061 812484 594572 641787 617912 612681 539294 736057 431228 496341 508365 Ala-Gly-Pro 399769 617929 503341 559598 0 0 0 0 0 0 0 0 0 0 57155 66526 73765 67394 0 0 0 32092 0 0 0 0 0 25676 0 0 0 0 0 0 0 0 0 0 0 753367 495406 413929 758631 148982 175066 145539 191063 162758 172102 0 0 0 25942 Cys-Gly-Pro 479865 959713 974103 1070098 1376169 1734932 1356659 1630780 0 0 0 0 0 0 1421414 1684130 1245702 1007832 1071182 721860 1038283 841103 1365635 1431285 1261862 875261 869921 891211 1041267 1038170 673210 1177585 816996 1262246 924286 845328 1129821 1065002 875796 719048 621806 635428 889211 1677487 1459857 1451191 1491511 1600240 1284781 1164487 812468 763798 733355 Glu-Ala-Gly-CHO 0 48094 31478 163914 60448 381824 301032 250079 0 0 0 0 0 0 222410 251183 237066 47470 265890 43503 39808 38962 342062 215147 349493 115868 137382 59664 176007 168323 35997 82915 32986 140399 220130 0 259378 87015 51155 99407 51108 64305 42498 484764 396374 436784 429004 466290 439539 31775 46593 33842 84845 L-Alanine 2128914 2525257 2851650 2306736 4219389 3482994 3027708 2485816 104973 88516 96800 133509 78341 81925 2705829 2634605 2529130 3429112 2992629 2608136 3456283 3421491 2804657 2940703 2852731 2472044 3055664 2722134 2770331 2193228 2300783 2608703 3207238 2590987 2045800 3021029 2310891 2792786 2595221 2776095 2037608 2167802 2719117 4455098 3505154 3550815 3358156 3583857 3258275 3551285 2774500 2651179 2764548 2-Amino-9,10-epoxy-8-oxodecanoic acid 81217 129050 135983 98034 159487 171012 158199 108726 17174 0 25781 0 0 24366 154907 159546 144753 151790 103499 112683 154514 120064 124764 172324 175329 151061 144010 152441 131667 85664 120973 108750 157949 141874 88666 117566 114441 141782 128594 140603 93429 104705 125584 157340 144898 129885 130297 145380 157247 202882 110919 136348 173251 N-(3-oxohexanoyl)-L-homoserine 67511 106793 177827 134012 249590 279895 230027 207005 21830 20553 0 27864 24415 0 191926 204278 162474 247398 165856 105482 194078 174430 337068 219194 320555 150354 208446 144599 238144 109106 97456 125611 135761 158115 108942 121299 163676 141941 154347 129836 87266 87518 136326 0 259540 332174 306970 297590 262958 190551 130693 129345 144942 Creatinine 132681 209618 290346 187029 343402 247525 208280 246303 21008 0 0 34998 0 0 236980 252162 261909 276660 221272 206616 338429 263347 266639 342446 230859 242362 246810 232604 241071 273538 168573 242923 224181 185911 154926 270733 170736 364593 248996 212921 182236 139938 206018 338244 310029 319400 321984 276707 327948 234154 310396 204603 211037 Met-Pro 131689 246153 153803 178920 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 198970 186546 167362 215274 0 65626 60305 114259 54943 53455 0 0 0 0 Leu-Asp 92422 152243 139040 108990 176139 212698 191478 135675 0 0 0 0 0 0 144889 119156 130468 154651 118431 93746 147093 199398 223335 177867 145026 146758 164603 159598 131781 110241 131128 117694 181373 137580 123970 129122 110960 120778 114722 149429 125406 87209 119479 116446 227308 215543 255284 226492 207221 168020 138393 139436 117352 Ala-Ala-Asn 140414 193233 186118 160122 0 0 0 0 0 0 0 0 0 0 0 0 0 23616 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 227936 171337 146093 209478 25791 65034 59232 91710 62036 70112 0 0 0 0 Ala-Asn-Ser 16797 53478 62174 43802 71682 72335 104039 54509 0 0 0 0 0 0 67298 56896 29394 58877 44039 26439 61806 50674 53866 54712 57857 47346 57033 41261 54725 41755 55082 55246 48641 70082 26065 30099 28363 53044 47995 32420 28701 19990 50563 324440 403336 376185 389815 397542 439142 66324 46478 45592 46006 Met-Ala-Gly 365700 319810 1079416 308072 1300727 848300 723216 452673 0 0 0 0 0 0 614313 577197 409555 1071263 586523 709532 958285 729981 779380 609353 610956 731457 845286 778216 779215 412614 641146 352860 734776 181230 491987 726812 463861 529344 696442 624870 563246 666382 798140 817708 885866 939409 814042 792947 871804 1186846 658222 826053 553893 O-Propanoylcarnitine 727157 966189 1337634 814435 1354925 1542404 1225319 966202 0 0 0 0 0 0 1234767 1034910 1038288 1234843 1094147 1034866 1270523 1077750 1291767 1061210 1188556 1053379 1143920 1072250 1180433 747954 865673 969764 1085907 910911 880250 1075836 1025661 1149598 1298121 1060258 838805 795511 1054740 1415702 1103565 1235792 1282370 1323132 1134496 1534024 1069184 1123967 1056337 Asn-Arg 68734 145454 91929 126525 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 181842 109549 81420 151805 0 0 0 0 0 0 0 0 0 0 Thr-Arg 77743 116520 85889 121685 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 172030 120192 73432 137046 29841 56758 46651 65500 68959 46346 0 0 0 0 indole-3-acetonitrile oxide 0 66709 8701 140821 14355 189632 136174 199942 0 0 0 0 0 0 163385 183375 195709 14430 218004 27477 14569 20411 223014 142899 219494 37826 33074 22562 85410 99807 12954 55643 18936 158399 81249 17222 142618 73651 23606 0 0 0 0 395002 161005 172426 40120 158834 149781 10114 13086 12019 31739 (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 0 0 0 0 0 409444 360118 424719 0 0 0 0 0 0 306046 356694 380196 0 0 0 0 0 500296 443432 435021 0 0 0 223070 0 0 0 0 288522 0 0 0 138415 0 0 0 0 0 349989 477608 447723 533913 457920 426606 0 0 0 0 L-Threonine 7674451 10900000 9451246 12100000 9290201 12700000 12300000 14100000 58324 37650 27769 52148 45184 34075 11600000 11600000 12600000 9765706 9017924 7141341 9397239 8567161 10300000 11300000 10500000 9700950 10900000 8438406 9266804 7446483 7350762 10400000 12100000 12000000 7936191 9500616 8847521 10600000 8823266 11400000 7525721 6229902 9383755 7459441 12700000 12400000 12800000 11500000 12400000 8929514 7951832 8045044 10000000 (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid 0 119486 0 171181 32330 173116 178639 497053 0 0 0 0 0 0 190370 272582 390991 0 171817 0 0 24926 175628 198884 202705 20803 87175 30985 108551 69977 0 128556 0 216836 94833 0 69880 35865 0 0 0 0 0 97194 104765 161576 142180 206005 180688 0 0 0 44276 4-Guanidinobutanoate 133267 179969 148323 187338 217362 240837 231847 259783 18967 0 17949 15106 15715 0 189196 257158 192736 220601 142037 121278 196949 163222 184950 212228 204909 150290 163948 255522 194024 141920 136339 172794 205207 172687 154792 187707 152318 187304 130809 174800 129743 138306 190738 183501 255506 231068 200871 226178 168422 190163 173127 149740 210157 5-Hydroxytryptophan 119384 161799 196885 199083 242878 398779 305421 320685 0 0 0 0 0 0 293998 249283 289873 178461 223896 142821 164864 182128 384318 221486 287690 177029 191445 216218 211757 157826 125497 130469 201702 225838 143175 178000 177639 167151 148920 150991 117379 124887 212661 0 586861 512770 568140 514861 513586 257800 144001 229594 149652 Cantleyine 269289 241091 655665 280565 1309347 568656 512439 352020 0 0 0 0 0 0 441707 324352 423865 874219 417822 609812 896807 489312 534479 366168 384838 549820 760238 752842 531106 281542 468350 262588 632096 372617 276839 489674 316097 422520 515976 462094 416789 480732 620712 447053 579395 607235 544066 595174 761520 1050728 596672 738496 437992 5'-methylthioformycin 128299 178618 193409 197771 163582 201618 184628 207231 0 0 0 0 0 0 161798 178079 211638 183775 174076 167696 226074 218894 158179 185985 213253 195394 226198 188899 209354 153359 171594 197036 123641 157170 151235 180939 152669 229393 271378 165653 148376 120347 214986 365396 185261 192752 232284 241949 270514 180457 152321 156143 202678 p-Lactophenetide 198236 232496 405414 279329 501175 469338 304673 358430 28403 31284 29607 26642 38934 27996 364121 337771 279608 454058 345965 303752 374787 359028 371136 248392 372373 360206 434084 431884 392804 200005 289829 316799 289575 310735 303142 322699 175625 214613 305027 297026 245373 244572 393265 353961 358719 490818 381783 425538 421333 638978 337373 415693 364983 Methocarbamol 444437 526476 1478229 237999 1937054 350477 359952 179775 0 0 0 0 0 0 389022 319817 219279 1432295 289316 874249 1296710 848314 289177 326051 206425 884749 1136348 914775 549500 201004 788992 433787 1054967 333924 257769 982721 226106 550656 995607 1143861 763152 868340 1144646 112950 456531 527570 470666 449016 483303 1934571 997974 1068529 860858 Pentylbenzene 1800635 2202623 1301377 558275 1036696 2594862 1579390 399438 0 0 0 0 0 0 1655260 3498727 1199428 2942661 1295238 1122440 688415 2477683 1290472 684061 1407129 879120 1071884 1582197 1573897 988854 1548577 2405842 1556480 318618 2198788 3480789 1290268 1654374 3409599 854828 185522 931459 1484737 555873 555849 627312 527992 588544 569687 634002 1277794 2486261 713763 4,8-Dimethyl-1,3E,7-nonatriene 1046940 1072543 541457 538835 947509 772886 760367 393742 0 0 0 0 0 0 471498 1064580 464274 2020438 571432 370718 838855 1630864 685927 644105 489301 659589 950473 698432 719327 373627 527880 1318983 425935 298318 1156822 1259031 555604 754004 1659122 848761 327053 454016 673547 313351 360793 356858 320414 400270 377841 568343 590580 1137538 734467 Glu-Cys-Cys 115378 129974 88596 122880 41180 134533 126456 193111 0 0 0 0 0 0 119554 137392 134764 88538 130513 75717 98632 88394 87404 139689 88169 96183 123837 80850 88809 70577 54459 95082 120204 159991 82834 100434 76840 150970 86513 159762 76138 44638 88748 141626 179174 203396 164318 167384 190855 44418 82352 75425 140354 Glu-Ala-Ser 87167 86428 110163 94658 152326 214414 154380 111429 0 0 0 0 0 0 121123 107320 117980 164221 129619 97611 112681 126511 119626 144308 121447 98008 144692 158807 160720 99204 88675 103211 132523 120730 56245 96356 88096 119875 132167 125290 84860 110986 120809 112860 246028 325632 256098 255068 211074 155032 103511 142919 134459 4-Hexyl-2,5-dimethyloxazole 174988 321487 194038 289862 129783 126221 435929 232041 79629 65962 78942 70780 70805 79761 168515 153248 224846 331854 263840 137029 144067 314688 174645 198289 172728 157136 151292 195031 248026 222026 153474 192088 204401 227251 163842 231731 194302 146920 135869 434660 153535 235261 323136 171457 185026 329189 210763 379318 210728 192836 294214 149866 335416 Lotaustralin 1184328 1556101 2067058 1466229 2350261 2515662 1745783 1680832 0 0 0 0 0 0 2013473 1855610 1663603 2110536 1771188 1617666 2282859 1852452 1971810 1804965 1882121 1826491 2191195 2143838 1908065 1311220 1576114 1664171 1930915 1505685 1385540 1826792 1461481 1779728 1824429 1834972 1473191 1402020 1862144 2311072 2172896 2312695 2238560 2316772 2125888 2617873 1787559 1812437 1801308 N-(1-Deoxy-1-fructosyl)proline 235765 370634 191493 407181 0 420090 394850 615479 0 0 0 0 0 0 336608 411616 430453 237059 302111 228346 220987 224003 233893 367153 354483 262396 321997 220093 233123 241261 164993 333342 338694 499815 284443 250791 260800 369743 260639 335487 175544 134340 248625 310074 355128 349893 362743 376648 393795 0 213290 146493 267325 Leu-Pro 1569495 2251311 3101250 1830070 3411525 3052335 2627842 2199950 23416 0 23737 26130 0 0 2690670 2573851 2272831 2922221 2457321 2089760 3363670 2588725 2831625 2411018 2653415 2562854 2728970 2630810 2644138 1711973 2013616 2235088 2644286 2077895 1836393 2436614 2052452 2507613 2740192 2530711 2075280 1871589 2730870 3468783 3002144 2789535 3075602 2977748 2743824 3261531 2580559 2474677 2340170 Glu-Leu 0 0 0 0 0 0 155499 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130605 30218 0 103814 326712 663552 547333 868807 603752 473915 0 0 0 0 Lys-Pro 206061 376678 406352 437190 426779 462506 468990 283654 0 0 0 0 0 0 371927 324403 348419 425294 50102 32618 61441 73638 345562 379118 334298 334002 383349 335138 287332 0 53646 42577 303186 283903 275124 289067 25354 62275 85296 537257 452365 341385 486626 314903 451223 501790 447206 439093 416586 338531 308327 358600 373441 O-Butanoylcarnitine 109572 139109 175805 112172 169445 182155 154233 111695 27003 25811 33359 39325 28213 25535 138396 131740 163548 200055 173756 133532 167156 121932 146415 142684 192363 119686 177236 131563 167938 102300 125415 138541 132837 117659 122266 150441 116500 169277 154330 145819 151473 106789 135120 178231 140838 141702 142802 131220 165906 180491 154556 120652 132721 Leu-Val 52174 104390 98990 100438 76174 97667 115108 126792 0 0 0 0 0 0 94893 72064 160148 88326 0 0 37828 60663 99334 111624 66363 73424 71383 71236 58235 39603 27000 45546 72054 95382 59453 46957 28696 56686 68834 106077 89087 78045 85904 0 163531 176688 188073 198030 183959 87515 93434 67253 79677 Lys-Val 531278 736920 866313 642431 1056899 1070620 866017 699513 0 0 0 0 0 0 895833 795454 794407 1033101 812163 706846 1087805 829239 943756 737781 1027864 903748 926531 832168 917041 515167 774184 740125 799499 720700 656160 764649 712717 880160 905088 827634 654797 658606 835695 928583 965706 997796 964222 972711 973385 1069281 789150 818806 778176 Val-Arg 125089 245030 127051 164175 0 0 0 0 0 0 0 0 0 0 23118 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 257509 205296 123927 226636 31942 75896 63011 72676 44153 55438 0 0 0 0 3-Oxohexobarbital 0 205247 43837 287720 68735 274631 244934 714250 0 0 0 0 0 0 402955 502145 636961 41807 273782 34692 104191 0 265418 310050 376506 56945 47341 33677 169207 138593 0 103922 50743 398367 82844 48236 131678 171714 100938 0 0 0 0 167851 244431 265419 349446 305836 306292 0 38454 0 80210 Agaritinal 175309 266033 346742 174038 309920 197166 335685 620831 0 0 0 0 0 0 308438 328417 0 386397 413392 330752 351178 311433 302447 333806 254548 213547 286510 331613 296876 142089 188394 211491 303426 325734 0 199727 0 0 332462 313467 210742 142771 239624 0 265514 290476 194953 245167 306450 350208 300725 259165 292698 Dihydroferuloylglycine 188850 256216 569035 228226 875560 491318 524596 389661 0 0 0 0 0 0 376518 298080 338231 758671 414947 386928 573013 508118 609595 433730 386642 514159 567188 491949 554890 236850 339629 220150 551297 367685 226169 418293 299614 287152 403611 437829 360079 339118 490972 493039 726199 639255 703980 721380 756355 868867 468091 498800 404504 Thiamin 406701 602591 478448 562320 436409 643365 636599 685867 0 0 0 0 0 0 546742 603658 581386 530152 481895 389469 512421 493604 497581 556063 562199 464451 539768 475360 465062 326732 351174 492686 529867 626889 424021 526033 443188 568794 512866 549767 388265 212853 450127 607757 582221 636244 556739 591682 622938 506556 458212 399264 485748 Adenine 289573 433644 549816 479433 593668 547453 579205 638956 28740 0 0 43374 0 0 605057 499895 489505 551680 604620 542024 659546 502256 718875 618374 646879 513931 545086 514662 524301 395642 366116 590033 405861 525999 393176 532507 429332 551018 669771 475229 358766 335252 498299 508725 507963 622862 640012 650237 662180 560990 530120 448000 458130 Pirbuterol 694333 879425 1086101 824962 1512353 1470084 1193033 1051636 100789 104646 133247 114238 120564 108170 1020760 1027526 1008394 1099882 971987 931516 1151586 1033085 1163504 951072 1151789 1297721 1195835 1008849 1031628 753504 865420 979579 1007417 1046058 861083 1008984 814908 1221351 1083001 1118920 901332 725267 968663 1262358 1182517 1185155 1203293 1303176 1253743 1242391 1028877 959453 961593 S-(2-Hydroxyethyl)glutathione 103683 106769 138867 63953 123268 76945 75808 0 0 0 0 0 0 0 93888 87461 66494 105025 56936 101129 144081 134270 67886 87063 54041 97331 115722 124814 104995 82832 126019 136612 135252 94292 98369 159656 90469 136509 108439 153000 108578 94277 110465 75305 113459 105704 120111 86123 105592 120690 109518 97836 107904 Lys-His 219472 396100 346567 371924 320266 320986 277835 279759 0 0 0 0 0 0 349017 285614 315584 402736 18247 21347 23905 0 295635 304216 297565 273813 328358 340209 294920 27084 38450 25755 206871 180731 221703 214694 32769 53771 57707 407576 287750 244779 355379 237919 302336 300222 300203 236083 284408 312073 286320 276364 255658 N6-Galacturonyl-L-lysine 36394 44009 148081 98829 121134 140954 138711 87934 0 0 0 0 0 0 117773 100936 82586 106979 54849 96475 115632 122784 94694 110283 133207 101592 114649 80265 94256 108362 91072 132021 68310 131578 44794 108444 90687 74047 114792 84527 35721 91224 89613 119497 186147 190124 225508 173247 209401 123895 80492 98650 135313 Ala-Ala-Ala-Ser 43875 99384 78099 86065 105979 177187 172224 147441 0 0 0 0 0 0 125226 105223 145398 100782 81292 66770 80805 79462 139610 148894 115100 93361 83104 75406 85267 73965 70740 73026 57259 124023 59743 65069 87769 88677 74554 87796 57142 57055 70298 248094 321171 307954 317783 317780 369083 83970 68439 66107 74682 Asp-Gly-Arg 47129 120485 59978 123269 76407 177152 209319 165113 0 0 0 0 0 0 137336 152369 154602 65751 110449 61186 88376 75440 174839 163349 162350 103971 126316 77686 119307 74766 57962 101270 53532 129713 110136 79301 79356 144544 82714 67688 48905 59545 70577 184011 258836 242542 229407 291226 262403 94739 79931 53201 72367 Dicyclohexyl disulfide 261172 411616 392556 258840 401413 325522 341917 340712 77132 69316 66139 62701 95070 74179 317870 384817 333353 506139 415007 325967 331559 423430 443069 318427 352620 423664 276161 373809 359501 311159 315110 336761 397659 397894 330215 332268 322643 356844 389399 371061 330297 312688 346009 412653 345422 400917 476877 432507 402799 302863 299441 350421 367486 2-Methylbutyroylcarnitine 81905 95596 116165 88446 134241 131871 134667 107739 19304 20781 24569 19166 0 23197 111542 133889 128122 134899 112324 109149 130435 102832 134728 102231 123710 209738 111106 138693 125518 63155 104342 81245 101861 90006 90509 95365 97288 115783 117515 122194 104322 81315 134034 138672 119564 111244 98556 113574 111316 129727 111250 96066 113535 N-(1-Deoxy-1-fructosyl)isoleucine 134622 183991 137974 196169 137209 225297 229447 305351 0 0 0 0 0 0 203460 203631 244364 124636 161030 102735 150067 108145 158196 224048 183989 120102 206427 125375 139297 124037 105985 185862 175756 250959 146737 158199 128477 185195 150910 208622 161061 100017 118838 243832 300474 296480 282752 332186 269221 101371 117078 93582 163906 psicoselysine 145187 206423 226838 229758 183911 314146 267783 279529 0 0 0 0 0 0 251083 274387 259165 244445 195848 203803 231027 219431 274304 257545 260008 219248 274116 239953 245793 163509 172214 233473 204031 244875 184311 205809 182793 238162 220084 198638 183243 163592 221125 212639 227943 248638 263413 289863 271817 231569 218026 200024 221420 N2-Fructopyranosylarginine 167835 303344 121638 343419 118619 234044 325952 485014 0 0 0 0 0 0 224072 344944 374932 112165 173790 121127 166673 145203 217150 280073 234814 137186 199661 125477 152715 176755 99660 290245 187294 451772 155013 147658 184980 263208 149223 207512 127778 72166 144777 246266 323544 332353 353061 320744 345078 82699 119339 77087 196438 Tributyl phosphate 732007 1633497 497554 686790 1139184 240886 204099 1046616 0 46543 0 0 0 30263 206880 583466 182099 1966159 197748 0 1334301 1568760 622597 1167807 170728 599718 811143 484101 350881 129241 136677 1658308 176963 2290827 1854602 698972 336683 457858 5347831 740867 1586809 514274 462411 904822 787610 852776 682447 738979 640671 1924211 370818 692351 657406 6,7-Dimethyl-8-(1-D-ribityl)lumazine 294082 490095 458134 441712 602256 677208 513438 520704 0 0 0 0 0 0 528217 601107 507223 548738 463576 370957 637084 525399 553450 563483 538038 431689 584006 537721 524080 360668 362807 440555 543911 454038 396508 565489 357002 546527 488527 505015 399180 314803 497147 581733 665118 578799 665997 654354 630125 599571 444320 466427 450845 Asp-Cys-Cys-Ser 510644 1308339 374829 1405064 267589 1060628 1630728 2091693 0 0 0 0 0 0 1012365 1244850 1352596 398773 772587 344458 484996 511948 828794 1090415 1017085 562705 713082 489057 641399 749977 425630 1212110 626734 2045130 626072 657224 907235 1044361 597160 652448 419644 251821 584588 1844939 2424091 2550106 2519726 2655196 2625846 324638 405700 348801 838450 Glu-Met-Ser 99262 130198 139926 80842 161246 128181 134482 65888 0 0 0 0 0 0 118449 119395 100572 173919 75154 141300 170417 174360 126365 123960 97860 149602 170589 171051 150297 97494 133551 166005 176120 96667 113768 171788 109172 144314 162793 160697 113218 102637 172964 131429 186251 149967 153744 146736 149793 163316 117747 136647 148444 Lys-Thr-Ser 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 77376 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 77700 166744 177038 201841 197485 199216 0 0 0 0 Hypaphorine 605521 859396 956297 646990 1257579 1151735 861519 653276 0 0 0 0 0 0 892105 873055 889220 1029481 867001 866033 1125960 812945 900235 868316 970740 887610 983461 853243 944274 591910 729589 809836 927403 785455 660598 832116 686910 914639 975541 940576 687700 572172 828003 1020698 1029219 999752 1048266 1026295 983490 1085462 979364 787549 816120 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 35000000 36700000 21600000 11400000 23300000 42900000 25200000 7459188 0 0 30941 28681 24408 0 23800000 61700000 21900000 55800000 22100000 18600000 13200000 53300000 23000000 13300000 23100000 16300000 19300000 29300000 25600000 17800000 27200000 45400000 24800000 4498912 41300000 65800000 22700000 27900000 60700000 16200000 3787530 16800000 25400000 10800000 9072267 9604148 9597607 10100000 11500000 10300000 23400000 46300000 12800000 Asp-Thr-Cys-Cys 0 64529 0 58520 0 50402 49396 69069 0 0 0 0 0 0 46282 74417 58528 0 40190 0 22131 0 51043 33882 50583 0 30429 0 49311 0 0 52830 21919 62800 0 0 0 31084 0 0 0 0 0 103796 116461 136636 142350 147284 133077 20168 24039 17363 28574 FA (14:2) tetradecadienal 17500000 14000000 8352043 5717496 14700000 13100000 8189269 4524418 44229 37948 33356 38669 34292 0 8460837 16200000 6516838 23400000 8290022 7976760 10000000 22300000 9362204 7247011 8478219 9522748 11000000 11600000 10700000 6396036 9865976 17300000 8915457 3639315 16300000 18700000 8523213 12500000 23200000 9899907 3420740 9295513 9173394 4311374 5237026 5515183 4854132 5442720 5878325 7631825 9668551 17200000 8819827 N-Acetyllactosamine 207770 288901 312445 241354 406150 421543 391933 263621 0 0 0 0 0 0 334431 303609 307485 417730 269766 265250 389299 333528 348371 349019 347680 317685 365853 363082 364333 231516 265118 304277 329033 275290 242299 356530 263353 300326 310670 319671 250598 216257 340823 227653 489818 432572 502530 521970 471381 442274 327203 306257 313387 CMP-N-trimethyl-2-aminoethylphosphonate 439966 570007 712385 462407 964763 931970 876509 666235 0 0 0 0 0 0 679198 642984 648755 751059 536677 513061 743849 654852 760165 671419 631643 609190 696476 649415 634848 415595 505933 508367 707645 561897 411544 633287 489268 629566 543258 671272 497491 391618 681593 557080 967497 1055353 1032887 952761 993434 909013 570563 663937 586790 L-Citrulline 1532501 2471037 2950116 2038896 3253205 3299106 2797550 2358703 0 0 0 0 0 0 2583861 2366772 2380950 3119011 2341979 2304870 3082568 2685136 3027945 2598299 2630304 2636810 2859737 2672735 2533730 1843358 2185430 2587415 2589942 2158560 1983164 2357686 2100873 2526307 2636422 2725818 1965085 1730631 2543602 4441616 5031586 5062688 4851684 5171241 4923185 3644489 2498055 2335934 2426624 Nicotinate 151905 196618 140762 181379 192073 230936 214401 208385 0 0 0 16447 0 0 194870 256912 216017 192763 264943 168577 205202 164512 204913 221461 215221 177066 177837 189135 182386 197127 198910 218618 138884 222520 148742 161621 199163 272428 175464 199253 168001 118982 168589 239037 232160 179157 205497 191762 193659 187001 165765 170958 165030 Glu-Glu-Pro 58108 116698 78691 98976 79848 114484 122798 139015 0 0 0 0 0 0 105495 91409 102032 110012 0 0 0 0 108357 119649 116878 94011 113230 83247 91193 0 0 0 52947 113437 65366 69827 0 0 0 129984 80184 67318 112003 127233 205051 141927 139768 184517 173056 120972 82813 84132 82757 Ala-Val-Gly-Pro 126470 133478 165108 110651 185694 190389 157102 113152 0 0 0 0 0 0 161600 178431 133544 189475 0 0 0 0 173403 138878 167140 169166 178529 189329 171578 0 0 0 148449 104118 100817 112529 0 0 0 220684 140155 161277 171480 136167 182575 171501 175263 174722 161595 167592 154046 127744 141539 5-Nitro-2-(3-phenylpropylamino)benzoic acid 113765 141343 237833 179927 271078 271533 375526 237928 0 0 0 0 0 0 166621 138326 208625 273671 170347 183704 270777 256910 266504 277272 168399 244006 343217 260400 248488 100334 127046 70739 200303 194527 107541 209306 122838 178492 188555 214142 164923 128259 182186 0 431606 479863 404947 431127 423042 239725 189818 265860 190446 C16H19N3O3 31834 47986 103625 60556 146773 103865 131450 107546 0 0 0 0 0 0 134743 109004 121897 184878 0 0 0 0 91456 105960 102365 127359 121014 135144 118635 0 0 0 95813 85564 81213 87840 0 0 0 69698 45191 41367 73256 59993 92383 102016 92184 92137 87594 142992 128748 122686 117580 Trp-Cys-Gly 28413 89377 68197 171989 83535 244994 205581 227557 0 0 0 0 0 0 194120 195617 176699 128119 154171 84310 120506 93759 187607 154277 220198 119707 117657 118764 161189 94005 64600 115034 67749 173387 145635 77588 135785 142321 117624 73012 29947 34713 68252 208745 199143 194464 230980 226877 233732 100480 80157 89449 94902 Cys-Phe-Gly-Gly 200534 881502 278090 1952006 258090 3181247 1918471 2219732 0 0 0 0 0 0 1767302 2011513 2051984 469804 1421857 376878 458128 612247 1941239 1848108 1752933 666586 728093 802136 1292372 1553941 475038 1155859 362293 1995247 1501620 374902 2079242 1257347 494677 257314 241629 98687 205935 2433932 2529416 2430511 2450809 2239502 2461962 246242 431556 348992 720633 GDP-mannose 45913 116787 53214 124454 60611 119792 109300 145843 0 0 0 0 0 0 121089 119659 138975 66451 83985 47017 56033 67909 97838 119244 84790 75299 77052 77115 87286 85982 60200 131520 64544 121883 74918 69001 97483 94379 77900 84319 54850 57130 56779 110730 106086 108104 106757 136440 123375 60112 65527 48897 82917 Asn-Gly-Pro-Pro 0 0 0 0 178939 195186 193043 153658 0 0 0 0 0 0 137110 146545 153314 156878 0 0 0 0 184628 188685 143592 180356 210382 172754 209308 0 0 0 141254 124891 88677 140147 0 0 0 0 0 0 0 126932 232471 247434 233763 218637 263219 217544 162830 157331 180396 FA (16:2) 9199114 9426122 4591060 3621870 8182453 7086057 4512739 3040252 29768 31751 0 36329 37097 0 4531698 8553373 3215983 14400000 3696553 3272280 6339133 13800000 4953720 4626947 3689802 5368979 7118578 5993745 5009502 3201623 5236072 10400000 4001941 1964438 9580772 11200000 4412109 5722175 12900000 6156189 1834234 4964894 4802473 3320968 3208490 3398315 3518979 3136377 3729169 4554859 5171637 8782979 5083347 Ala-Leu-Thr-Ala 182733 297778 345090 247392 366344 366673 337534 248525 0 0 0 0 0 0 306325 285141 284834 327573 251952 243577 353947 267141 331074 333596 274784 277703 338477 283670 286570 221000 262314 295787 310156 252835 208209 347925 236437 247011 278397 326883 214027 199311 338518 181028 528225 479620 482944 577673 467934 348426 253479 296618 240752 2-chlorohexadecanol 1129914 1852377 2196369 2184722 2256032 2176564 2360838 1788963 1000396 994440 768853 1161293 816861 1051906 1864265 1725446 2137971 1988105 1667607 2099184 2185976 2205153 2084727 2140797 2045819 2302810 1999928 2123146 2121686 1833044 2311455 2256795 2298567 1710598 1855287 2175079 1795074 2018385 1882548 1860686 2057680 1555413 2069717 1608606 2430635 2609024 2192348 2565455 2813066 2332616 1943978 2173972 1960713 Undecanoylcholine 162580 141749 240223 257759 244660 258292 241637 135289 29697 39205 58977 28506 28947 23238 116799 122997 108491 316795 296248 120444 159588 166226 209857 184738 205044 183877 122198 224593 273054 106422 215292 182256 245728 167639 108713 146917 111149 215313 148717 246810 206620 177142 176613 339053 244215 192008 172554 241547 167387 266205 243838 130498 113403 Lauroyl diethanolamide 40300000 45700000 7660829 22300000 50300000 12200000 6730775 19900000 30203 26315 26390 30962 0 32198 6003414 22500000 3133713 88300000 5358152 3258913 38600000 79500000 21600000 28100000 4992763 26600000 39100000 17400000 12300000 3312584 5720841 48000000 3781266 14500000 39800000 40800000 9591777 12000000 75100000 37800000 14300000 17000000 9462302 14400000 15600000 15900000 15200000 14300000 14900000 28500000 12700000 25300000 29100000 Hexadeceylamin 92449 239533 239906 160522 357065 251733 236870 114607 0 0 0 0 0 0 292342 229387 216813 296066 197696 162739 243919 264976 242464 211185 237654 254290 246449 309472 240303 120353 202355 182492 212499 200702 182268 200835 132904 266601 335876 200904 128880 146929 200192 0 217082 252941 242903 292040 314333 253244 274263 175675 194766 Asp-Val-Pro-Ser 374953 506205 649130 494635 696460 822785 651054 512576 0 0 0 0 0 0 703294 618607 565529 687607 622765 570601 685054 609815 672113 661936 559821 584405 669638 614761 605617 404385 497278 508647 621252 516002 503153 618310 509340 517615 615491 681041 496653 436880 756057 1691462 1162114 1076012 1180764 1195492 1134844 885424 560087 579553 543636 Ile-Ile-Pro 60079 148326 136153 158843 134069 230564 153949 253503 0 0 0 0 0 0 135167 136198 132146 146753 133539 61358 111445 122855 112033 131901 197693 113197 127749 120297 168138 75650 71980 137354 154944 186788 91336 136505 103641 174285 111780 194270 96208 48163 153170 137420 147801 146710 242806 155956 195435 118891 107781 118156 121193 Ile-Lys-Pro 911157 1354549 1711273 1199677 1930906 2126749 1622880 1368552 0 0 0 0 0 0 1498384 1484265 1465061 1781948 1438511 1234366 2015575 1505730 1536843 1511736 1608445 1392755 1634851 1575760 1605767 903353 1338347 1322995 1477865 1263839 1108059 1403173 1199837 1557850 1604651 1556726 1262823 1114556 1568597 1733316 1653965 1711300 1691268 1657417 1924537 1887788 1733690 1356133 1400761 Met-Phe-Asp 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1017743 529883 492906 642810 0 0 0 0 0 0 0 0 0 0 Ile-Cys-Phe 63956 168292 96538 168557 89397 219488 180623 124322 0 0 0 0 0 0 200276 195655 175309 146537 209020 123518 168486 151470 172083 208774 175561 149849 178072 182962 196795 160484 131852 152335 128860 136264 157222 113157 139410 186242 167513 94072 59265 37355 89006 229122 259757 214035 206144 238097 208898 81630 126980 102771 168372 4-Trimethylammoniobutanoate 4603475 6981390 8869577 5917571 9488409 10300000 8823091 6987785 0 0 0 24603 0 0 8523008 8759691 7422646 9533272 8511873 6624565 9456926 7387956 8375771 7220111 8239747 7616660 9035321 8157331 7850106 5197391 6332868 6529330 8013125 6696902 5993561 7482796 5980914 7899910 7718925 8248736 6225743 5620499 8145182 10100000 9513245 9393760 10000000 8705221 9150485 9998141 8026251 7420771 7292285 Linoleamide 359296 370428 169401 136381 189146 143356 200279 126224 150682 126104 121692 139409 132829 128410 137957 153276 127593 605619 105241 152094 418095 413961 157103 145031 110602 206492 172654 147696 190318 117523 341636 339307 132603 182008 325789 148542 300347 126491 346306 173779 183798 128024 377773 171697 372630 365682 308053 384387 319099 249503 101571 378948 198281 L-Carnitine 5014065 7490699 9641885 6579523 10100000 11100000 9172560 7395240 0 0 21933 23607 0 0 8925514 9530553 7939387 10100000 9321832 7134057 10000000 8159589 9107654 8410976 9055732 8359563 9901210 8966385 8778277 5815156 6864983 7027538 8515666 7253645 6323900 8624686 6480621 8686891 8529812 8752860 6782767 6454713 8781083 11000000 10200000 10600000 11000000 9792602 10200000 10800000 8766129 8239311 8308396 [FA (18:1)] 9Z-octadecenamide 924985 1213732 709216 499059 880270 380290 469812 716096 501100 531530 491076 556180 472605 593325 443501 415935 436615 1628496 404327 353017 755564 1004682 418188 598971 373532 817587 820661 368973 421051 426831 532518 386060 426655 614712 841920 546054 636108 376759 1204165 713784 496936 404578 798133 734775 818995 877449 908727 816248 951741 408792 506419 879618 460849 (+)-Prosopinine 121505 156801 273893 191669 139934 147257 233669 252289 111569 117714 113318 154457 150085 119576 174897 120880 126005 135591 188881 196529 148526 191714 238938 234690 167916 286334 143893 149622 165663 164926 244826 225457 160657 183064 202840 243537 230349 156010 295506 219388 173012 186502 163335 182272 190126 218065 218787 206767 232808 183436 177650 242981 213262 N-Acetyl-D-mannosamine 206888 233874 361635 220314 397698 358719 319656 213221 0 0 0 0 0 0 315122 202938 315990 285454 263434 280512 327761 264131 295806 282648 238163 258369 321735 255595 255408 205080 251333 287995 298963 268960 229146 282369 272434 269414 265183 335094 212592 175617 257709 315644 505127 456535 435379 525558 429705 373631 304475 283673 254024 [SP] Sphing-4-enine 415375 599972 714801 554760 769444 703838 520952 480056 22600 0 24056 22102 21395 0 598629 616657 537300 648424 579263 526700 577594 655290 640070 530618 453351 669334 636691 664206 598664 400018 557019 468556 677332 489912 524069 657165 516517 505366 672877 678134 518749 545471 620241 579475 686404 744328 629986 663000 589865 727671 611095 668811 536590 [SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol 186166 354862 566958 261599 574276 458238 480798 203835 0 0 0 0 0 0 502852 314879 369605 574210 411323 460971 521563 438866 540061 482377 371721 439354 619897 439719 400673 244496 461336 309931 643109 272080 326787 550109 363147 397804 460084 474704 348867 312033 512633 0 630420 537026 511389 484089 488046 458037 357216 327030 320818 Phenolsulfonphthalein 563715 1309333 1454658 1484583 1562521 1887113 2832479 1541998 0 0 0 0 0 0 1888985 1426940 2120747 1266234 1096917 878435 1290418 1477257 1408651 1845550 1285201 1278693 1563473 1161640 1399413 781779 854834 1502654 1926498 1616272 823255 1381586 870269 1741087 1683271 2036480 753843 787032 1793124 5387375 7514576 7308207 7020254 6775942 6580599 1273325 878592 1339588 1783154 Ala-Glu-Glu-His 192620 351994 261428 359768 370274 731126 586101 830165 0 0 0 0 0 0 648967 723964 767264 514713 46782 40322 43691 80383 679631 820424 731086 576985 749671 622335 603131 100728 85829 212949 518305 644588 531483 570081 163229 173251 157549 360501 202474 188334 295650 304248 416884 435168 409877 361117 428294 507755 572323 392928 610427 cyclic GMP-AMP 81407 136237 299259 158565 468967 457725 389194 261479 0 0 0 0 0 0 279997 250210 326488 303022 237268 168598 274617 290951 332311 378521 164880 268193 299733 267892 288206 185405 202797 181893 418048 246585 132366 274721 143998 209352 271108 331227 130851 140238 265921 0 912268 702369 783232 799960 771945 301932 211574 295898 239755 Deoxycytidine 101304 131307 141504 126865 218532 200648 212418 182504 0 0 0 0 0 0 158508 155269 120618 154793 118528 59847 104139 130659 228824 149397 192499 84154 176087 120367 160951 112120 112977 161249 99062 166300 111073 149903 96050 128834 113508 126923 58074 89934 66821 144983 236590 237652 205890 185212 208911 168624 127959 114658 116828 3-Indoleacetaldoxime 0 396996 133220 891401 142669 1368569 1311753 1703617 0 0 0 0 0 0 1147902 1455046 1763466 206726 968435 75601 128030 140905 2042492 1225399 2055493 366982 319501 105062 653313 409113 130161 340389 148340 1113230 488491 127241 610616 535846 174459 165015 0 0 0 1713097 1684050 1559330 1441532 1571393 1526553 106673 168187 79794 343982 Asn-Leu-Pro-Pro 0 0 42787 0 199238 233879 181694 189279 0 0 0 0 0 0 130909 111344 117427 177500 0 0 0 0 166554 204958 162912 153386 175792 200822 164016 0 0 0 126660 164759 117354 118834 0 0 0 49336 0 54846 0 136245 185993 296210 180900 198958 152513 204211 178316 190084 173109 5-Hydroxyconiferaldehyde 206671 271068 363165 226583 262663 269982 310103 232811 158832 152978 152768 170005 128692 147778 293874 272125 252230 288116 205378 184485 299693 246260 312696 280119 315680 237088 287394 256160 229731 191484 233293 246388 287977 276225 291700 296562 188291 271260 300462 330604 195895 264603 299132 158434 341223 312967 325654 340247 315231 312198 248787 221540 208824 NADP+ 98112 195397 97445 229857 141319 180021 203929 320669 0 0 0 0 0 0 178614 190982 214705 121519 153013 117742 134351 130388 188442 222136 214282 134792 154426 130646 146453 137620 85382 243986 114739 287522 119301 111516 150047 198419 110672 131119 86843 69424 121335 300856 340800 390950 352654 368601 327182 129943 91412 92359 146225 Pipericine 429702 869405 497454 149666 631284 482877 171906 1085853 128667 91251 119833 143266 103203 134434 0 190002 0 935336 122095 318723 553080 455663 125307 444680 0 517592 433348 0 131455 0 127422 198953 0 470778 423907 343600 0 0 1362596 499906 493384 0 0 796440 766509 737587 897028 843728 690307 413088 0 852079 313357 PC(14:1) 96355 175330 190727 169307 196435 264918 304219 261882 0 0 0 0 0 0 184152 245304 216876 193749 147702 149325 178038 213726 252072 260360 171868 185345 211100 175417 198097 169160 153332 237730 210171 202297 150575 227858 146782 177330 167845 273894 123769 117879 190687 0 404856 321511 396741 310082 342049 219777 145486 158945 182095 ATP 278203 917817 190744 1073936 249955 492707 678660 2220213 0 0 0 0 0 0 601287 777572 1127739 274091 425347 305848 331478 344570 642824 813753 587345 319480 385866 401426 429001 502628 220143 926936 297086 1617623 278023 275434 491959 629855 270795 268136 237750 125881 264655 1181469 1155988 1173626 1193278 1185468 1139000 260768 262028 194742 347645 LysoPE(18:1) 368261 657759 817479 707613 756720 915215 1037898 795209 0 0 0 0 0 0 772358 637829 777557 777183 682190 456801 761859 734326 732248 943935 730924 645174 676610 727764 704028 575488 613246 619168 747718 653242 544864 733172 612262 675033 774977 832020 525937 464741 700595 0 1298829 1154498 1239519 1237070 1485318 793181 588899 608185 692082 LysoPE(O-18:0) 74500 93780 122127 122301 178493 178203 207248 112806 0 0 0 0 0 0 144127 115835 162608 143900 129930 100669 143325 146919 123509 151626 113523 129353 141410 130628 139497 87986 78500 104804 105927 113425 99783 135623 116395 136825 117419 141237 74978 109027 138371 0 232224 266924 236488 204743 211570 193423 124871 124109 126387 Heptadecanoylcarnitine 314473 544019 593494 415074 661198 702529 498740 462013 0 0 0 0 0 0 534012 559305 541915 642373 520832 494423 650678 526925 588745 518678 617204 468765 570185 531352 653283 326786 473655 491305 582846 417419 400015 593402 551000 511422 592673 548364 418121 442283 507351 0 680980 522399 677359 622122 657015 711062 484462 503345 492976 LysoPC(O-16:1) 494262 848218 873386 728846 1101368 1189271 1011065 849371 0 0 0 0 0 0 880403 872000 952367 949251 697077 651576 784148 798127 885748 1087412 665961 845890 862522 894277 826863 586318 669712 737289 895505 825658 590835 780422 644615 779182 820780 807410 574969 617819 762199 0 1475855 1276023 1341726 1418262 1378822 897507 718679 734672 763938 LysoPC(16:0) 715425 1447082 1394875 1626321 1269511 1425050 1773297 2325084 0 0 0 0 0 0 1444306 1238983 1833299 1070158 1114643 810230 1454903 1013819 1115928 2068155 1477071 1105085 1230793 1039397 1637031 870880 828661 945059 1472317 1517840 1092863 1433505 931485 1120924 1717881 1548583 808322 683334 1747527 0 2274822 2192143 2754290 2999874 2997941 1148039 829584 1625168 1315524 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 200452 300915 456971 389103 457451 515094 533352 429980 0 0 0 0 0 0 433523 431630 490029 430987 392134 312169 432937 410690 477096 491994 355075 361106 408451 418441 386956 295047 381709 315014 477478 402389 288684 402777 312687 348905 373180 385538 277968 305885 419427 0 823508 791157 780818 827330 755669 514205 339576 366234 448476 LysoPE(20:4) 150021 456941 329507 538004 363599 677904 599742 611963 0 0 0 0 0 0 587921 608328 698623 334187 483950 220956 377533 284209 729582 748316 587368 307471 368755 285814 417296 322195 262776 354153 278212 434206 254246 302853 364293 361694 436390 300826 178624 207863 353355 0 1037208 907643 1042563 994542 1161128 407503 223274 332538 315591 O-9Z,12Z-Hexadecadienoyl-R-carnitine 366130 496523 616835 385173 668256 768469 597946 478853 0 0 0 0 0 0 537999 501643 600055 810634 530934 480941 681347 626708 664786 518089 568612 528762 556933 629542 553482 343328 559933 543201 588502 531643 429908 605253 499196 514037 644162 620013 441852 427016 764846 0 641606 693218 663233 732520 742863 724144 551314 508422 496886 Oleoylcarnitine 2299080 3342581 4117053 2595780 4854347 4839159 3849280 3066836 0 0 0 0 0 0 3642347 3780431 3360335 4539919 3568986 3077583 4660083 3915659 4092121 3456237 3741929 3692110 4039583 4177351 4130463 2179052 3376263 2864172 3790406 2681016 3020547 4148728 3060443 3305394 4281049 3642825 2859252 2619566 3954576 0 4585602 4354714 4412427 4559959 4506472 4591439 3942928 3665397 3650313 Stearoylcarnitine 2494164 3135513 4336527 2772547 5117201 4657772 4103957 3234374 0 0 0 0 0 0 4147174 3543105 3452832 4279872 3764315 3465949 4629658 4118741 4135398 3564532 3722571 3637142 3830156 4166483 4266186 2251608 3516079 2985862 3811489 2726258 3188290 3736019 2769550 3711833 3993005 3627270 2991635 2689774 4013691 397689 4416621 4138749 4562512 4418252 4817237 4857138 3664959 3760389 3760086 LysoPE(P-20:0) 110323 165125 223579 207093 235355 257146 245944 208654 0 0 0 0 0 0 222191 195100 223821 228230 186526 192165 240247 205198 210366 191744 186154 205353 214281 187251 206830 174481 182115 208177 237059 188613 178857 203482 175983 210942 228359 217603 138693 210613 204031 0 364518 324691 319063 377583 354760 223276 203489 221548 198359 Cys-Trp-Ser-Tyr 0 90088 0 129935 0 92669 90536 104193 0 0 0 0 0 0 93048 98945 124617 0 69378 0 0 36426 70216 92496 45048 36365 67208 39262 70618 67726 0 73605 0 146393 99605 0 75091 81689 33248 0 0 0 0 119163 133487 118746 168369 138265 122511 0 23706 0 46406 PC(18:2) 170900 518234 431872 568562 374752 443840 601308 854178 21297 22786 26253 21000 22995 28665 558130 496897 721234 383462 379647 257891 448985 390532 519785 625357 583136 469701 525598 323469 458618 346505 263494 430851 333662 535660 255646 433388 260863 380552 619205 451162 238497 204020 574938 0 760632 826804 973249 1192581 1232023 365810 298709 348034 426812 LysoPC(18:1) 333006 935745 875621 1248581 759757 927736 1240841 1699948 0 0 0 0 0 0 1142154 969705 1479636 727251 746943 426254 937766 656835 920840 1308593 1103525 892172 990685 596833 936974 540035 584530 769976 698724 1052257 543928 859467 627376 759099 1238956 781472 426233 429969 1262372 0 1563268 1655603 2046764 2314311 2239503 761346 527284 758929 819847 LysoPC(18:0) 506019 789107 989318 948089 986101 990082 1201472 1236261 0 0 0 0 0 0 824576 826216 922627 645145 640745 519463 988932 759989 646396 1208211 739531 725729 785264 725251 784305 524628 473301 643170 1245592 963913 745672 971681 693732 615609 870537 1136341 583117 546485 1113247 0 1484364 1322206 1611416 1544556 1716413 916369 609646 1058382 921062 LysoPC(O-18:0) 134202 216658 334513 221514 317750 325744 321648 245609 0 0 0 0 0 0 351076 341919 280426 338078 284320 254067 242415 255457 245302 405670 245605 282461 300986 310104 273690 193526 249806 275728 334471 211412 191160 247621 232793 261018 237358 321355 200455 181778 279808 0 426502 441993 511739 444584 469245 272261 272546 276310 224155 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 122640 169729 249493 236369 286732 348708 324044 177919 0 0 0 0 0 0 298591 233185 267421 333312 225073 249800 248829 295019 241645 245899 219495 253851 386140 313583 334112 160062 258134 207724 274588 155392 173874 301103 127447 347833 263167 236133 143324 236855 319893 383419 296312 278309 374775 287555 334849 282141 207747 268168 255169 C29H31F2N3O 0 137095 541631 113981 1383848 1221940 1434995 824877 0 0 0 0 0 0 905399 857307 981170 1264245 0 0 0 0 1288760 1401261 853952 1146492 1351851 1253170 1064380 0 0 75099 1056599 668139 624954 1042405 86676 81911 0 208932 0 121642 173283 1610142 1193969 1348268 1341271 1056028 1136215 1480366 1051713 993616 878956 (24R,24'R)-Fucosterol epoxide 1471112 1629818 1856247 1503629 2141935 2169021 1717177 2095266 0 0 0 0 0 0 1775114 1533499 1891679 1812409 1729817 1611281 1845918 1727600 1845388 1935636 1779440 1755595 1603724 1786201 1868658 1351755 1435458 1476745 1854323 1439932 1415337 2000002 1342918 1814685 2166271 1744744 1423048 1437432 1547395 3106612 2068116 2491413 2084444 2381452 2129160 1993112 1579361 1700876 1637100 Nebrosteroid M 386509 541208 625417 568738 837484 776047 649847 634671 0 0 0 0 0 0 846372 666063 667320 673373 512886 558284 662085 605816 610800 548856 538301 639034 644609 597872 711953 452102 691574 644372 725213 568669 372359 679681 577259 563400 742651 602503 571193 448838 726356 1307546 716581 682788 762166 559769 703626 897626 497353 624840 711074 Glutathione 767787 990013 1069281 878246 1091080 844070 975430 622810 17208 106002 108142 57790 97902 114672 903826 804968 859731 1079428 798133 1027005 1086754 1039201 838943 953732 744203 1014792 1097517 1130127 930879 794147 1018353 1134737 1118337 872901 820293 1108822 870285 1136596 1056639 1253697 1009473 866072 1136482 934860 1043971 1109682 991608 1021514 1042317 1156277 1047946 947464 1075930 Dethiobiotin 109900 175068 145839 155769 246892 211461 190910 147144 0 0 0 22531 0 0 202647 137350 150308 202675 33666 0 33071 23419 143859 161322 157597 151156 168372 185305 142263 38459 28517 69396 148416 105124 126967 140513 36299 53401 53466 164923 136885 140363 136956 80433 137686 130907 139309 149966 152253 220135 173626 161038 154756 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 785027 848085 1550049 839827 1673682 1129222 1141954 445663 0 0 0 0 0 0 1180941 997843 827222 1486210 1057437 968148 1755417 1500349 1084129 1219213 887355 1327274 1461708 1365973 1179625 916055 1224465 854240 1766458 641943 1021038 1404106 1048912 1101372 1462252 1585127 1215550 1244270 1551655 1846116 1256406 1289978 1337015 1363007 1238447 1633210 1455609 1466360 1301287 Montecristin 145680 211906 331957 299063 418053 323588 410060 210239 0 0 0 0 0 0 300382 335283 318954 340386 248864 372276 341204 269838 347054 289204 311096 325543 388809 294669 340453 227418 290614 245579 341986 281400 271540 406828 249206 242909 347741 307627 251311 245342 380512 477384 566484 552401 551501 556599 638247 395145 345102 362693 343829 Cohibin C 593660 899966 1375894 1120825 1367590 1389400 1427647 651588 0 0 0 0 0 0 1218940 1049087 1165643 1473071 924264 877503 1164826 1180496 1055296 1145906 1168184 1296084 1691715 1355149 1361229 797108 931824 844282 1381167 776809 913301 1168231 1010404 1033250 1293544 1357032 948495 889624 1599943 1793411 2097045 1898092 1743380 1834632 1800933 1525748 1086006 1389536 1156946 PE(32:1) 352006 448783 740474 429990 825815 682531 762778 311884 0 0 0 0 0 0 703434 520455 537006 651217 502477 567898 616115 690728 686215 666612 545749 686044 780448 746311 686682 427440 599630 394191 637526 363828 541586 747943 444310 469063 624004 661049 465930 503527 697119 1698967 810254 893264 889909 972967 900550 842791 586369 738926 674647 PE(32:0) 525845 498766 1044437 554616 1261458 861711 1104928 324863 0 0 0 0 0 0 935868 752276 658749 963851 681811 815503 848237 853103 938686 909522 735330 920353 1146549 1039794 979604 512759 777924 601153 1091550 433866 647275 959592 728686 630491 869054 981372 717471 766266 812988 2604953 1310070 1135170 1133825 1232782 1124136 1125649 803511 1014073 860071 SM(d32:1) 1705568 2451199 2619010 3089184 3018178 3057392 2671868 3465636 0 0 0 0 0 0 2708757 2467274 3300410 2394608 2264786 1969169 2498024 2772896 2855856 2881092 1745282 2402070 2597954 2561140 2418146 2331545 2265102 2137956 2785828 2777747 2105052 2418188 2214173 2187639 2642020 2713420 1884045 2197880 2943949 4837795 3878591 4048719 4048571 3715924 3589652 2664528 2267725 2826060 2464903 PC(30:0) 1453014 1823612 2465901 2374480 2425099 2636591 2490364 2506183 0 0 0 0 0 0 2678658 2297802 2412033 2135500 1950327 1775797 2338119 2448398 2108637 2209613 2461876 2204482 2011968 2362918 2104041 1521408 2149995 1969658 2417358 2003983 1854342 2080214 2072703 1844818 2220573 2146394 1825148 1937936 1962914 3392841 3015240 2686840 2795883 2623593 2987422 2567327 2082060 2234709 1937327 SM(d33:1) 1166548 1227374 1684852 1762771 1844479 1977781 1737365 1632827 0 0 0 0 0 0 1643563 1022317 1997990 1462015 1301822 1496698 1362232 1527627 1095490 1225241 946219 1464512 1319448 1553771 1427897 1336829 1487971 1249211 1677197 1543302 1194554 1544459 1225238 1388201 1562247 1639249 1176472 1511343 1423000 5179092 2583501 2303305 2319969 2408182 2284779 1775491 1405659 1761558 1411958 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 343142 492430 800494 511197 880816 793598 890553 343278 0 0 0 0 0 0 731737 553488 652442 800651 545981 562659 729329 665437 674665 701390 621725 686460 786886 653503 756587 410719 569757 501250 723557 426546 492857 673018 458618 619455 816852 786746 475130 481339 754575 974501 1210018 1104936 1143759 1069078 1155139 951730 636780 965292 689517 PE(34:3) 451408 489412 605242 439860 622786 666264 628310 544867 0 0 0 0 0 0 730503 567994 666525 605720 652563 638471 672644 775556 529096 697839 586183 672182 629937 791932 575146 563704 496538 547659 570249 443279 409886 555553 501716 799280 574213 593054 658983 649095 577566 1088308 669202 684602 632702 570123 624929 652594 531035 575526 531533 PE(34:1) 3479479 4174512 5028662 4651940 5312438 4495858 4787352 3119618 0 0 0 0 0 0 5762635 5003193 4757801 4773126 4802706 4656821 5100692 4353309 4670929 4908335 4319532 4628235 4764073 5166162 4807469 4695000 4540823 4594148 5677253 3755458 3978561 4939918 4836793 4349281 4652699 4576994 4302963 4813003 4754232 1635293 5836159 5142038 6028675 5169140 5430180 5117046 4238603 4829698 4628607 SM(d34:2) 1539608 1661736 2498028 2337120 2767736 2606776 2469468 2768190 0 0 0 0 0 0 2384095 2000380 3075828 2971103 1920223 1807160 1995021 2257628 2047561 2350978 1567483 2023523 2127748 2161280 2207502 1747624 1928259 1704068 2231522 2261977 1827847 2156404 1758459 1934770 2085081 2328507 1651730 1920980 2378221 6684898 3555311 3325849 3402858 3154916 3115052 2592059 2002798 2488280 1996442 SM(d34:1) 11100000 11900000 17700000 17200000 20200000 18400000 18100000 19100000 0 0 0 51374 0 0 18500000 15300000 20000000 16300000 14000000 13900000 15100000 16200000 15100000 17300000 12800000 15300000 15600000 15800000 16000000 14100000 14900000 13100000 18000000 15800000 13100000 15000000 13900000 13000000 15300000 17500000 12900000 14900000 16600000 57600000 24700000 25500000 23000000 23800000 23400000 17700000 14600000 19000000 14700000 Glutathione disulfide 1123948 4169823 1287047 4578022 1284191 6804011 6903633 8133059 0 0 0 0 0 0 5473820 6065430 6347114 1698378 4439868 1364972 1836333 1938776 6098896 5787079 6189423 2105650 2665428 1873484 3845447 3323585 1473592 3156206 1292374 5768333 2727908 1529795 3691658 3265671 1910033 1200447 879559 724828 1443644 7751091 9188157 9163067 9623224 9887018 9971134 1604093 1617491 1318901 2516775 NAD+ 3197678 4791418 6788661 4768433 7403057 8189268 7855791 5800376 0 0 0 0 0 0 6505931 6084596 6077789 6678271 5532076 4704113 6686844 6253137 7232938 7201628 5838653 6055879 6967164 5961026 6521928 4329752 5344585 4974668 6584235 5224074 4163072 5902787 4827610 5578682 5786324 6946517 4254662 4081020 6378759 3378925 11100000 10400000 11300000 10200000 10800000 6791775 5114063 5824303 5677298 O-Palmitoyl-R-carnitine 1511234 2586499 3075974 2095948 3412282 3248862 2576115 2280540 0 0 0 0 0 0 2590759 2674808 2638315 3182272 2419800 2352504 3527423 2880140 2989885 2659166 2903911 2420963 3021619 2602862 2593178 1742471 2186160 2456107 2582986 2029128 2091826 2486963 2104719 2637371 2929829 2607320 2065242 1779809 2635267 0 3168875 3317195 3579466 3440783 3387342 3211327 2444103 2482353 2518799 Trp-Trp-Tyr-Tyr 1636497 2964483 2109064 3728449 1616229 4626486 6450910 6278888 0 0 0 0 0 0 3363180 3794945 6383712 1638244 2166004 1081315 1432614 2418588 3299025 4586636 1817683 1780622 3312682 1594639 2136727 2253891 1308123 3327798 4808356 6153939 1562636 2666307 2790164 3007522 1384350 5176099 1449571 396728 2238929 12600000 10600000 10100000 8965156 6816210 7736476 1250077 1472463 1803002 2482176 PS(34:1) 513024 668624 892987 759418 959456 925684 1038028 539287 0 0 0 0 0 0 942540 872355 814916 898174 703517 685434 919832 843703 993809 924390 815405 917470 1013205 973901 970708 586694 731373 678939 909272 628605 618822 927939 722798 651288 911328 990491 626626 705848 880679 1603688 1245575 1136792 1198233 1130840 1110411 1023730 762200 945103 868670 Cer(d40:2) 527265 691158 1110523 487089 1143381 740087 863420 172604 0 0 0 0 0 0 789538 581698 497287 1099751 665791 724298 843811 889094 790389 635560 686055 937904 869375 825962 779628 611318 933265 531101 1069762 484218 690050 924563 705304 654011 908655 911946 834739 657281 1090856 1333050 976701 906672 861787 822296 746158 1033349 878635 1033705 932815 PS(34:0) 547205 552955 1214868 591807 1313303 1068870 1189479 399625 0 0 0 0 0 0 837008 607451 760933 1158037 767866 748731 992632 954977 995180 907792 655784 1073485 1037964 1163741 936256 549568 868218 713139 1248187 551702 718842 1143626 653722 719098 1063170 1165461 779687 814096 1187334 1410239 1902519 1547336 1592019 1677850 1721159 1374007 945264 1378378 949875 PC(32:1) 4471866 5632979 6749839 6318646 8022136 7285261 6955360 7840189 0 0 0 0 0 0 7115936 6872471 7013915 7354370 5903022 5573668 6550608 6720996 7055309 7317980 6214742 6583082 7322368 6902829 6536825 5305127 6011367 6153979 6557586 6079440 5764092 6262181 5189118 6077411 6079980 6711307 6206770 6051992 7072543 7067875 8328906 8719014 8692289 7850026 7868470 7933738 6343573 6568726 6370454 PC(32:0) 12600000 16700000 19900000 17900000 21600000 19700000 18900000 16100000 0 0 0 0 0 0 22300000 19200000 19900000 18500000 17100000 15700000 20500000 18600000 18300000 19500000 16400000 19100000 19400000 18000000 17400000 13500000 16600000 17100000 21600000 14900000 15200000 18800000 16000000 17100000 17900000 19500000 17200000 16200000 18600000 10900000 21300000 21600000 20100000 20700000 19600000 21800000 17900000 18900000 17800000 SM(d35:1) 528496 433511 542842 478961 760894 513184 866704 598331 0 0 0 0 0 0 717223 674839 467719 531540 527044 448614 524212 701254 523024 605837 494411 563182 692177 643630 459918 603936 515834 431075 602006 595714 441935 564072 541834 418746 388118 687852 429264 623331 519412 1076431 979199 921948 956619 854959 883320 714791 586608 629293 546504 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1473687 1327764 1461635 1950171 1577279 1527546 1482043 1546960 1490095 575692 1373232 1465211 1302582 PE(36:4) 2770307 2935533 3584616 3478764 3500474 3129925 3208925 2539052 0 0 0 0 0 0 3289103 3225244 3327442 3324695 3078065 3061583 3218982 3573060 2987144 2857061 3150159 3285445 3200503 3586502 3886762 2871626 3247489 3365786 3183783 3014926 2952400 3148569 2858747 3322700 3408582 3187036 2913797 2881368 3232438 4237459 3201555 3129382 3667652 1316489 3161852 3836860 3214800 3001912 3081214 PE(P-36:2) 339368 471186 587003 453992 672595 658991 703500 510281 0 0 0 0 0 0 576941 478425 425362 581595 677548 484827 600917 605885 535216 683853 425234 837459 685235 546491 556780 611683 520645 531168 604657 463107 518908 653314 490502 508641 694068 588897 454231 656976 665288 110461 923102 736413 593109 764193 936022 827342 622558 586028 528238 SM(d36:2) 836100 844302 1105072 1223644 1276511 1135895 1378472 1299402 0 0 0 0 0 0 1134951 1130098 1445193 937946 1127161 843397 962129 1124200 1208665 1352257 999013 1017550 1137511 960766 933645 971125 997565 949397 1314312 1212058 917686 982838 839577 948625 461274 1016293 923225 964032 1004773 1723549 1488339 1440917 1264072 1489230 1390484 1160185 1084069 1110947 1063769 SM(d36:1) 1353129 1447188 2358727 2186340 2471616 2071184 2346471 2039105 0 0 0 0 0 0 2198083 1854196 2645802 2086844 1875919 1599276 1736072 1789439 1836134 1945850 1550475 1868704 1898496 2165787 1958912 1636854 1948042 1555857 2261030 1928145 1599236 1936767 1749283 1554861 1686210 1864477 1462781 1655242 2177427 7493844 3134001 2837143 2504925 2835220 2504908 2158404 1714289 2111185 1831567 PC(34:2) 36500000 45500000 57600000 50600000 58900000 61800000 57800000 59000000 0 0 0 78754 0 0 57600000 54500000 59100000 55000000 49800000 46900000 58100000 54900000 57200000 55800000 49600000 54600000 56200000 52600000 53300000 44600000 48600000 51900000 55800000 50600000 44700000 53100000 44400000 50100000 51300000 56100000 44700000 45300000 54900000 47400000 63900000 67100000 66700000 66800000 64600000 61800000 50800000 51500000 54200000 [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 3531375 1894945 10100000 1503046 9961101 4145670 4930918 517514 0 0 0 0 0 0 3525308 2096727 1257719 8800834 4062120 5244798 7797036 6029957 3879976 2729979 3649197 6870078 6803150 6243942 5172698 3174957 8441307 1903155 8990568 965926 5142199 7809392 3947740 3833133 8382462 9025067 7538692 7735718 9622176 5810849 6082860 5226313 4329132 4628329 5119741 9206874 7560796 8155736 6636547 PS(36:0) 933978 1300712 2167410 1346588 2155210 2140827 2451515 992067 0 0 0 0 0 0 2092110 1547479 1628922 2047938 1490522 1332077 1780654 1876018 1962597 2055004 1570538 2058865 2136707 1908709 1869794 1211088 1636795 1465857 2307126 1295130 1273494 1773957 1395151 1569436 2023956 2070796 1404211 1461499 1915679 3431374 4000069 3574906 3266960 3612711 3532644 2590981 1879759 2429411 1867174 PC(34:1) 71500000 91700000 113000000 102000000 112000000 119000000 114000000 118000000 0 0 0 145677 0 0 119000000 104000000 121000000 106000000 98900000 90900000 109000000 101000000 107000000 113000000 97600000 104000000 112000000 103000000 105000000 84500000 89300000 99400000 104000000 99000000 83900000 101000000 90000000 95500000 102000000 107000000 88400000 89300000 103000000 59000000 121000000 131000000 126000000 124000000 119000000 112000000 99800000 101000000 105000000 PE(38:6) 1267135 1385729 1705912 1499577 1897153 1507347 1447929 1253339 0 0 0 0 0 0 1835834 1447108 1603488 1761256 1613486 1673401 1847265 1592284 1499154 1639504 1606566 1592377 1613958 1965971 1641992 1687598 1590438 1418147 1748524 1073644 1455951 741199 1389063 1170812 1720212 1509168 1453434 1393633 1767616 2202783 1637152 579323 765456 1799323 1755614 1715521 1678483 1735630 1594121 PE(P-38:5) 1853541 1989664 3073627 1976538 2715793 2158750 2275528 1578313 0 0 0 0 0 0 2309565 2130720 2155026 2694798 1769964 2368354 2391672 2474916 2065020 2629755 2045346 2506844 2549604 2701522 2765912 1939660 2400776 2134295 2734414 1776595 1961875 2525895 2269128 2207949 2390851 2697639 2319784 1925995 2599624 3504920 2822852 1196427 2762970 2866711 2902298 2870178 2707770 2365209 2337306 PE(O-38:5) 2853118 3279307 3967918 3175739 4464648 3422538 3734636 1851381 0 0 0 0 0 0 3692889 3369350 3231534 3933661 3003286 3473525 3837511 3725332 3507992 4050078 3002915 4526687 3798295 3858587 3702512 3257984 3754570 3372962 3824260 2656258 3140557 3818053 3350588 3318488 3613438 3919562 3264121 3338400 3818191 5322213 4689500 3879182 4338421 940899 4328542 4150421 4233501 4367843 3940518 PE(38:2) 154043 308217 343240 267364 473058 348970 399827 211182 0 0 0 0 0 0 302744 266502 326819 384758 279574 240831 365700 260778 513332 367300 251964 366665 360514 341327 288798 241167 238390 204149 338113 229845 243061 336776 244233 227694 323675 137155 182015 166100 162668 1981989 462025 509946 542694 492269 545617 351281 338758 370633 284891 PE(38:1) 2905212 3725889 4610748 4123350 4403255 4650404 4806972 3969768 0 0 0 0 0 0 4808898 3923795 4794584 4617122 3941926 3566321 4062557 4493264 4041947 4294330 3792834 4249053 4395383 3975141 4352767 3346989 3930991 3738477 4344380 3714209 3343140 3646427 3598038 3526120 3963802 4416022 3585021 3831281 4229260 3527665 4450816 4928116 5466032 4792136 5450288 4495542 4007659 4081532 4349710 SM(d38:2) 343815 424017 476565 658659 530110 343223 502743 671841 0 0 0 0 0 0 475929 348139 634484 624734 357347 335347 508334 509034 432667 314809 398577 358122 466092 501933 502134 378932 515008 391002 523654 459137 355959 435801 335151 394300 459466 350620 467813 465155 440920 976697 587859 685178 665808 621857 773187 568273 365659 598642 418849 PC(36:2) 24400000 29200000 36500000 31600000 37700000 38200000 37400000 34300000 0 0 0 74084 0 0 37400000 33200000 38900000 35100000 31800000 30200000 37700000 35800000 33800000 36600000 31800000 35100000 37100000 34000000 35300000 27800000 30500000 32300000 37500000 29700000 30200000 35600000 29300000 31900000 34000000 34500000 29300000 28600000 34500000 29800000 39900000 41700000 42800000 40800000 41000000 36800000 33400000 32800000 35200000 PC(36:1) 21400000 25500000 33700000 30100000 34700000 33300000 33200000 26200000 0 0 0 100301 0 0 35300000 29000000 35100000 31900000 28100000 26500000 33000000 31400000 29400000 29800000 27900000 30200000 32300000 30100000 30100000 23300000 27500000 25800000 31600000 25200000 24200000 29400000 25600000 28600000 30000000 30700000 25200000 25100000 30200000 10800000 34100000 35300000 34400000 36000000 35000000 35800000 27400000 29900000 29800000 PE(P-40:5) 1274593 1355079 2006967 1114809 2238402 1734002 1982444 591483 0 0 0 0 0 0 1877782 1436458 1317433 2006828 1429477 1721180 1809025 1673862 1741305 1736560 1496574 1732747 1948205 1885004 1906837 1423901 1702107 1617648 2038591 1060439 1435612 1851928 1520381 1626654 1898568 2114984 1707483 1472943 2330888 2486097 2533791 2001574 1902816 1993070 2274697 1877933 1835709 2049607 1986535 [PI(36:0) 182475 310878 317061 224818 341451 318879 434012 158991 0 0 0 0 0 0 433207 292923 250449 359487 343500 259116 339434 319395 313127 359749 245857 373361 349494 300881 425237 223522 338053 233455 351385 186699 251786 344517 287968 288340 296038 372914 305721 236599 342357 164824 538404 418809 378118 451387 451926 399921 323834 294536 347338 SM(d40:2) 1187117 1523666 1620253 1480374 1706653 1866705 1696022 1578502 0 0 0 0 0 0 2041052 1368236 1780058 1489023 1499748 1541347 1523564 1506351 1558303 1539210 1346668 1580067 1607971 1612904 1418998 1347861 1537433 1261584 1676945 1403296 1249855 1609866 1240985 1407812 1574334 1473637 1151969 1511350 1531979 4794485 1943165 1911454 1888918 1858878 1979374 1689322 1610166 1497338 1584873 SM(d40:1) 1594391 1502195 2961687 1348237 3033966 1645209 1947852 580352 0 0 0 0 0 0 2379068 1505313 1263722 2618528 1593913 1890411 2005598 2390149 2042343 1750603 1255541 2215890 2342860 1871038 2091804 1697852 2487834 1343289 3110153 1034937 2134260 2365365 1889459 1627828 2703151 2788993 2033976 2246799 2418652 5335741 2507838 2280346 2362435 2185604 2347205 2818598 2029415 2575425 2096473 PC(38:6) 5302530 6387547 7530677 6003233 7715925 7770511 6803708 6185671 0 0 0 0 0 0 7088219 6313133 7091826 7653738 6717365 6759032 7194899 6621364 6482245 7019490 7095261 7384677 7358458 7056875 7810016 5216999 5823558 7066885 7122523 6259529 5573502 6954777 5750757 7530430 7468885 6813722 6324885 5913826 6865380 6030803 6709227 7688365 6970240 6695323 7276786 7282714 6568577 6345978 6721567 PC(38:5) 9281629 11300000 12800000 11000000 13500000 12700000 12100000 12100000 0 0 0 0 0 0 12300000 11200000 12500000 12600000 11500000 10500000 13000000 12200000 12800000 11700000 11500000 11800000 12900000 11800000 12300000 9588246 10000000 11800000 12200000 11500000 9558138 12200000 9845084 11400000 11300000 12300000 10800000 9472801 12100000 10300000 12100000 12500000 12600000 12300000 12900000 13400000 10700000 11300000 11100000 PC(38:4) 10600000 12900000 15500000 12600000 15900000 15700000 13600000 12200000 0 0 0 0 0 0 14700000 13300000 14900000 14600000 13000000 12700000 15200000 15100000 14000000 14000000 13500000 14500000 15000000 14000000 13600000 10900000 12700000 12900000 15100000 12400000 11700000 13700000 11600000 13000000 13600000 13300000 12200000 11900000 14200000 12200000 14400000 15500000 14000000 15100000 13800000 15400000 13500000 12800000 13800000 SM(d41:2) 459826 775077 798936 762504 837658 707190 870965 570123 0 0 0 0 0 0 908633 758350 762227 812615 670232 709073 733814 928157 783684 766154 509436 653710 843519 339997 975590 662015 759520 596363 786632 763002 799706 690659 767988 680497 678125 808323 718841 613023 766303 2132953 988249 765829 822592 921062 928934 847082 719490 782643 560395 SM(d41:1) 490536 492868 810689 420143 797376 522866 547078 0 0 0 0 0 0 0 607995 389783 351951 678635 506305 421905 614505 640286 506911 615320 495713 750370 615834 558427 507940 489174 717970 388142 859183 188574 513526 651628 402856 458766 663944 682776 637522 627632 361125 0 675646 561259 571975 610971 634951 496751 742973 650375 553947 SM(d42:2) 10400000 13400000 14900000 15000000 17300000 13600000 15600000 8032939 0 0 0 44248 0 0 16900000 14400000 14700000 14200000 12700000 11900000 13100000 14700000 14000000 15700000 11600000 14900000 14200000 13500000 13400000 12100000 13700000 11200000 16700000 11100000 12600000 13500000 12800000 11800000 15200000 15300000 11900000 13100000 15000000 6076842 18600000 16000000 16000000 15900000 15300000 15700000 13700000 15500000 14600000 PC(40:7) 1222998 1753120 1415669 1211456 1105813 1488045 916096 1465089 0 0 0 0 0 0 1313140 1344294 1301468 1296169 1445982 1322844 1545943 1273401 1351315 1130560 1451381 1320181 1263777 1309239 1170895 1047598 1041753 1398103 1096337 1451862 1166021 1195057 1167246 1519236 1299060 1293472 1222941 1293484 1071822 712855 840151 1074918 1122261 958351 722348 1358941 1278719 1098566 1107116 PC(40:6) 2334349 3207325 3917353 2755340 3970196 3761001 3415033 2691112 0 0 0 0 0 0 3647058 3471925 3709122 3548520 2911304 3368889 3557172 3402096 3360374 3514397 2972135 3428123 3728692 3572632 3393515 3063034 2607599 3055168 3531847 2653663 2663133 3201131 2887773 3305636 3851423 3514449 3305391 3009453 3422157 2871186 3384945 3902138 3578869 3968310 3876653 3693074 3078653 3311262 3475168 SM(d44:2) 543765 575353 919899 568449 1190712 551346 746907 0 0 0 0 0 0 0 764905 503043 506917 734431 709374 616301 1030445 680563 814390 589881 574106 784803 669995 295553 712245 581216 883414 442131 1041852 348658 654817 839958 613869 531917 801975 850800 605686 751595 1066602 1265936 950477 625998 818306 605138 663098 969707 765488 948099 600883 Heme 301584 118448 386801 0 486918 0 91518 0 0 0 0 0 0 0 103571 32099 0 635652 91998 293737 520756 393863 135708 142394 72611 367538 527217 470134 294098 0 206425 129019 405785 0 0 234193 0 165942 370034 360057 237404 241729 378335 51738 71401 119168 103942 106469 84328 443234 288933 360832 220656 3-Butynoate 234887 369683 204416 329609 150561 338125 308476 489607 0 0 0 0 0 0 309772 332768 400455 204821 309070 182346 208474 208797 282973 388700 374845 209288 274438 200289 244601 270131 170026 356961 270809 403611 230971 331961 369158 318723 270587 252020 212890 131995 224515 163764 414643 383292 335238 381543 387616 167544 198552 156412 227558 N-dimethylethanolamine 135693 221849 63051 86488 160382 184702 77166 136352 42207 32913 46917 48132 43223 33507 84572 123268 68973 261640 74674 65713 164387 275930 66310 76543 80347 110826 136468 91729 81128 49554 88533 187771 39646 89801 133352 169016 75036 81204 264500 117381 145153 78621 69590 86124 86159 71221 93545 80091 66262 108557 98460 137732 107783 L-Valine 30400000 46200000 53300000 37900000 64900000 63500000 56000000 45200000 2344489 2422027 2272410 2451302 2303167 2302481 54700000 51400000 42600000 52900000 49800000 43300000 63800000 48300000 58600000 51100000 54000000 44300000 55900000 51200000 52000000 33900000 39900000 44400000 51700000 40000000 48600000 45600000 38400000 50100000 49000000 48400000 37600000 30900000 47700000 54700000 53500000 58400000 57600000 56200000 53300000 71300000 44800000 45400000 44000000 4-Aminobutanal 1351097 1491478 1222627 1547071 1124505 1488529 1823385 1310146 101708 97228 89340 108843 99043 93177 1481143 1527431 1845495 1310133 1422170 984831 1253942 1470936 1297201 1396587 1352803 1297490 1366567 1281157 1383826 1235786 1198302 1398541 1632600 1964348 1288214 1453272 1588981 1957253 1333862 1614430 1292998 1251095 1269346 1097500 1618357 1550339 1351950 1623502 1271647 1222457 1577880 1146291 1475306 (S)-1-Pyrroline-5-carboxylate 43809 79608 85674 60755 115780 78247 74608 81372 59395 36268 70733 59986 39909 65517 75655 74039 79562 109828 76276 61406 97063 88391 89171 69969 70157 75695 79918 88139 78864 74242 71993 82904 73452 64887 70049 84276 56243 78658 95069 70236 75822 65969 73172 71777 109851 95264 85166 87286 80788 98890 52925 96350 68560 methiin 1676829 1927420 1329872 1751445 1626132 1663647 2011647 2290902 0 0 0 0 0 0 1793682 1947679 1842113 1607570 1906257 1573347 1623593 1536462 2397483 1581104 1601749 1410129 1720718 1403049 1540738 1561426 1320255 1880910 1901027 1785151 1569475 1535043 1625679 2121363 1848741 2172212 1501484 1322697 1357922 1881569 1922143 1885817 2020134 2156977 1536097 1407576 1610743 1458047 1654340 PS(52:0) 91323 71477 274213 0 282815 242968 248945 0 0 0 0 0 0 0 198498 108608 49093 217962 132337 195199 240547 222727 183665 156968 140405 282766 240758 198341 218981 95802 186866 85255 277539 0 133433 214802 128420 155846 231406 289674 143101 178087 283507 285118 387396 366002 404633 330968 269388 326350 211042 222654 211340 xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole 3623116 4247012 3517032 4310694 3230204 4183363 3746029 4575510 0 0 0 0 0 0 4179491 4231535 4091651 2818218 4416560 3132889 3274580 3336392 3586925 4205733 3791786 3378278 3772278 3193699 3793861 3722813 2886488 4456754 4124333 3983051 3570195 3550541 3708859 3987629 3404334 4147900 3628899 2603266 3506783 3566243 3836173 3928531 3807134 3735468 4068846 2896202 3148105 2871905 3582275 Cys-Gly 271550 504511 499079 261210 489794 265718 358535 98009 0 0 0 0 0 0 410986 374892 266147 485923 241319 300542 542276 417251 271893 445455 264478 435781 496004 564675 402641 270632 371843 658235 491605 293080 280421 508547 304992 479287 477580 616498 438485 320078 471263 177263 521076 463116 460416 374150 449549 415851 408760 349613 376287 O-Acetyl-L-homoserine 125209 271541 297046 353362 370674 361071 326233 414287 26189 0 23692 29451 0 19381 307002 355506 289644 406622 462418 274623 214351 384801 782673 346041 288252 350503 414789 386748 306965 295493 127353 0 350630 0 209823 143910 220760 182363 332792 239700 282797 232577 475375 744221 412115 444224 491147 382191 298376 415477 270695 129279 310338 D-Glucosamine 2066474 2656519 3364733 6878490 2738839 1918244 3228398 2558372 26469 0 0 22759 0 20343 2393406 2295482 3390718 1588595 1934533 1563014 2483982 1797178 2130789 2320015 2273013 1757708 2459098 1526103 2061830 1594409 1402475 2588215 2890090 3042807 1945738 4594569 1932097 2221048 1576988 2426781 1336052 1196150 2179743 2487018 7313207 1664261 3095223 2912688 2776229 1936977 2397880 1417561 4319251 3-nitro-2-pentanol 618177 1183943 1869651 1340271 1270164 1658676 1805029 1496311 0 0 0 0 0 0 1132215 1134147 1408011 2005830 1341938 1605042 2156447 2027766 1469221 1290883 1309136 1682339 1761670 1700426 1783115 1235439 1706817 1761719 1156264 1337142 1119128 1642520 1144181 1689975 2600467 1277338 1112406 1016433 1918306 1333833 1777469 1742328 1878252 2213351 2019905 1523871 1301964 1388241 1596634 L-Methionine S-oxide 385300 794448 533352 807144 536722 1148844 1147601 1233390 0 0 0 0 0 0 811888 964573 990626 610946 720441 363488 557269 547929 917456 999897 933585 494295 645769 508257 655813 406066 325598 634718 744882 972007 513604 541734 609920 856894 523600 758718 358564 326343 482751 605675 1234565 1154499 1231432 1185851 1094856 615873 531240 459277 675292 5-Acetamidopentanoate 2814357 4229602 5100900 3461923 5929756 5927329 4964305 3760016 88179 62771 86431 85813 84971 58854 4764671 4782478 4467068 5522205 4485529 3990373 5386445 4666437 5148337 4335134 5461244 4950771 4881539 4565759 5105651 3391455 3799797 3981103 4559164 3572610 3328134 4561891 3597322 4487005 4848562 4949880 3741473 3044353 4395181 5832194 5373938 5169125 5331626 5251686 4833706 6264534 4714181 4235221 4188636 N-Acetyl-L-citrulline 89063 167793 94542 180787 73550 277275 233498 96900 0 0 0 0 0 0 205642 151150 203898 127802 217449 113140 89648 167340 232808 219303 162214 174941 169215 160838 227230 198692 112405 112770 78582 101261 153191 86822 268957 199573 106594 101823 108851 42177 104983 278971 339488 270303 223856 217208 200866 36129 128100 84318 147168 N6-Acetyl-N6-hydroxy-L-lysine 404214 513332 639301 422026 753515 725710 647027 595123 0 0 0 0 0 0 632385 584305 603348 695772 587904 496035 692506 577665 711013 557105 632067 569322 610852 589522 554677 382615 454327 549990 599796 460200 444035 557521 458108 556954 716906 587454 418285 421997 595811 696932 712305 621590 704541 635664 617889 735814 565077 561077 500752 gamma-Glutamyl-Se-methylselenocysteine 0 21202 0 0 25011 0 20434 0 0 0 0 0 0 0 0 0 0 0 0 0 24788 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430102 650598 622434 641357 650749 622843 19971 0 0 0 Guanine 591143 898681 917725 869612 938315 970273 948318 901715 0 0 0 0 0 0 758433 774490 875157 700838 613548 534246 707742 644289 765576 780635 663207 652472 824840 570644 742424 596949 638155 803934 736054 710826 429641 615758 614814 829011 812644 1228148 839937 618144 1040022 714837 1254628 1187417 1263474 1291557 1233429 693690 567123 576548 556242 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 58192 71543 97620 79784 90941 92738 85178 68021 0 0 0 0 0 0 90207 86411 80265 91989 72708 70234 88849 92485 100326 75237 93568 84838 106511 98876 97518 55377 60750 76508 87110 90556 63770 68286 71197 95565 95888 87160 66069 64021 87122 87368 88014 90530 88456 91434 86784 94980 96462 72880 67076 Mesaconate 21210 57751 82248 47828 62729 76832 85334 48189 0 0 0 0 0 0 29100 28081 34261 63480 35339 0 49256 26351 60098 29711 64279 55441 53480 26669 23926 23873 60948 81537 23626 47784 26720 38446 31925 39866 32965 61966 30351 0 33601 97046 168426 180581 121805 182782 108161 65981 66963 34162 81522 2-O-Methylcytosine 87721 112071 100212 79248 86528 82660 93781 79098 68148 71410 77077 74498 78684 65856 96357 80551 96830 97698 95384 103082 101171 93631 82499 75246 86328 84735 103398 94978 96959 90921 77822 87790 97825 80256 71441 73546 73364 87151 93165 101005 75976 76842 96220 129397 109077 104489 93656 88603 100899 97798 113349 95489 91002 A-Ketoglutaricacidoxime 0 0 23766 78747 42277 118823 77574 115309 0 0 0 0 0 0 71835 87798 85128 24345 85243 0 32870 36997 107805 82039 102894 29800 36416 63435 65819 51757 24379 0 25735 82545 31883 0 75557 44297 29516 21419 0 0 61846 100064 143183 134350 123455 129496 152984 65311 35344 72306 27024 gamma-Amino-gamma-cyanobutanoate 222283 349430 213608 208318 180980 418457 207484 264309 60390 63397 50173 58626 55457 48424 292456 326482 350484 389445 288395 283234 416384 250435 345936 371352 445195 310080 264414 312677 331403 240596 255911 270889 279890 309847 223543 265912 310554 227559 401507 353622 207459 218300 297788 284627 288047 247454 386890 333314 361611 277142 235289 264071 200282 N-Methyl-2-pyrrolidinone 65603 112252 113456 107625 140007 123024 79257 136484 66896 79543 82916 66019 71854 68431 135653 122068 179678 104117 119913 113744 120014 94619 108768 145302 122534 99197 176623 99254 167211 91159 94939 128507 149269 125396 140546 229852 113032 152457 143500 77775 149088 87512 157932 160080 167394 126733 107701 112483 100381 87854 136534 97385 151531 AMP 1001946 1645751 2090778 1683867 1776705 1902861 1734771 1587206 0 0 0 0 0 0 1975325 1872253 1735417 2018183 1315228 1198916 1663107 1540346 2055450 1966037 1751813 1537873 1864610 1657241 1677430 1024267 1259057 1229558 1797399 1603589 1392790 1671711 1256359 1729597 1610540 2058988 1343502 1202527 1906136 1333426 2495234 2543538 2690625 2564466 2529937 2082486 1529343 1572531 1555609 Biotin 112218 69594 95603 152564 77959 180705 239977 216845 0 0 0 0 0 0 146382 162974 189649 98112 122036 114323 127248 127630 148813 143496 104141 102415 111433 94780 126801 95773 83477 137141 164367 171585 112460 93617 122877 185081 109147 145222 96905 76433 109963 424356 322071 316707 367212 319653 336521 94249 64852 82691 131036 L-Tryptophan 2224631 3063875 3322625 2785571 3868073 3805410 4078750 3104679 0 0 0 0 0 0 3177740 3109007 3167021 3548142 2221286 2165571 2779330 2664718 2734371 3105417 2663176 3065699 3424489 3003004 3086638 1915209 2148003 2633215 3543654 3281709 2082725 3097811 2141950 3012592 2655866 3870317 2357332 1947506 3115872 4296454 5282318 4700327 5276264 5016347 5268761 3666372 2734561 3014656 3067463 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 118917 164560 223986 217810 216892 284330 274914 205895 0 0 0 0 0 0 280049 225464 250233 239657 108719 92413 115275 137966 275314 238911 206883 205611 248741 214363 239505 92229 85405 124560 243427 216327 156256 193521 103337 148239 112544 191943 142453 128083 142575 515226 464223 426999 456174 487478 469522 220224 222139 191416 178388 3,3'-Thiobispropanoic acid 2276690 2745811 2562132 2125626 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 367968 302090 235318 336401 318473 290467 0 0 0 0 S-Adenosyl-L-homocysteine 492756 809277 993255 687472 1051677 1342649 957628 852399 0 0 0 0 0 0 920910 887788 954932 1077316 827507 663121 1032871 843868 1100246 933303 1003028 891308 1003475 1022454 900695 594703 661449 705865 878144 822652 796177 871355 698325 799286 933385 928857 668844 548792 867800 606910 1156861 1054324 1258950 1119710 1130700 1170588 919562 892121 877397 S-Adenosyl-L-methionine 824817 1286619 1243270 1175507 1248860 1514423 1375697 1310136 0 0 0 0 0 0 1378243 1388975 1183992 1301188 1501950 1286623 1509268 1485930 1252917 1248319 1251653 1145142 1281771 1336061 1276523 1159685 1130855 1468742 1058657 1221878 1004940 999380 1304858 1538728 1330753 1366181 1016987 838358 1088916 3327268 3532920 3438196 3302571 3480369 3353468 1260158 1184272 1026920 1190811 5-Guanidino-2-oxopentanoate 138127 181085 190392 219236 272589 244339 227013 404730 0 0 0 0 0 0 213667 216973 231992 267508 238552 166384 255629 213055 214456 226712 246078 230658 250284 206581 250346 108834 127663 219666 205190 288044 141396 167762 143201 208543 195242 199511 147510 134695 178632 197991 226522 229408 250926 242604 236869 233598 175873 191943 186835 [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 289577 373086 492156 335208 539816 556621 421097 388955 70217 76025 69118 79475 66259 74938 415993 416241 389938 443948 421023 387855 466638 391162 442926 496741 435766 418009 517070 413704 485764 283431 317946 353425 436356 365135 325783 471884 407336 366004 477868 465056 360389 301356 416295 569601 522847 499620 475556 560483 432625 522592 402642 404402 385210 D-myo-Inositol 1,2-cyclic phosphate 45721 75765 63466 69443 64292 73071 82450 76668 0 0 0 0 0 0 69997 63478 74468 62978 62046 78207 77730 52096 72463 75826 74065 56360 63853 62184 72921 34657 61702 73929 62562 72325 66460 76621 66248 68772 58005 54856 51365 50740 51266 197969 262658 232855 239491 247212 228153 59793 62838 59800 81245 L-Cystine 113212 73186 87239 64411 65795 128484 137532 92161 0 0 0 0 0 0 83720 94345 34141 82918 113300 59163 47163 73491 88366 60135 76568 53120 64002 54147 56328 84478 94687 77661 139113 125405 90468 58467 130863 77721 37977 127441 81014 65680 55392 1045427 918237 734074 674557 478511 428514 81497 75607 64082 80986 L-Serine 900650 1802086 1442127 1592595 1495930 2006794 1964617 1652713 19085 0 0 24360 0 0 1472297 1596221 1604141 1455150 1248114 1165225 1386084 1229262 1590839 1624033 1509833 1296284 1496662 1220542 1337072 1173914 1138446 1423115 1349376 1670180 1064275 1229123 1131789 1499159 1390921 1401086 1097962 1002369 1315654 4773522 5290683 5772302 5494647 5554564 5830711 1737068 1176993 1189440 1295402 N-acetyl-demethylphophinothricin 134757 139437 163546 178551 136162 146309 185144 171791 164627 121911 115183 147347 122572 136333 142539 157196 172882 173185 152944 128333 147869 129237 148996 138124 135315 118755 159635 134574 125164 138162 114486 147402 147932 132267 159876 122257 138955 139480 150552 121103 119396 184536 141324 326220 216736 246722 227551 218193 237277 159127 141009 159751 143881 N-hydroxyisoleucine 107776 115593 136914 109508 139863 137997 100739 104305 57710 41001 55737 49318 38937 54538 106716 120219 123146 118322 120069 89338 111174 120368 113327 137139 111558 112298 111493 111202 119152 97362 121675 73952 146251 108298 95336 117380 99879 116005 106696 158095 103184 90293 100118 134316 125350 125611 127334 118013 125664 141208 105232 120803 100278 D-Glucose oxime 56839 96379 128133 125229 166115 168951 139417 135488 0 0 0 0 0 0 116633 115774 102520 130814 99300 114074 158002 128000 123789 109237 123342 104527 124403 110419 107097 82272 96521 83560 87436 149756 96705 123654 102264 160174 99041 113151 104874 83313 133060 103082 231834 208603 171012 200117 164291 126521 109439 101418 116210 L-Asparagine 3543184 6064254 5371821 6269691 5125861 6934114 7525089 6730202 28736 0 17692 28109 22852 0 4968738 5384142 5998815 4677974 4785660 3973968 5261648 4369279 5592768 6090955 5523602 4711614 5744375 4502197 5050717 4204900 4064245 4569935 5131866 6019462 4087242 4436424 4355588 5356621 5048563 5832642 3945501 3881997 5707884 13800000 16100000 17600000 17500000 17900000 16500000 5211850 4216322 4755181 5297884 N-Acetylputrescine 1161801 1968281 1707164 1632735 1895433 2384964 1895652 2068739 65650 90247 104394 106687 99628 96956 1772093 2175694 1821974 1948731 1857794 1488191 1806551 1693886 2002727 1945455 1994066 1612456 2002090 1739046 1835723 1036764 1299230 1459645 1945609 1829160 1437008 1555473 1433086 1846895 1914095 1711950 1290169 1127252 1546523 2119890 2183972 2029933 2074421 2376019 2315283 1821418 1902884 1481698 1850459 Creatine 151000000 228000000 265000000 177000000 317000000 303000000 252000000 204000000 81688 95600 70399 221097 140003 75520 273000000 230000000 210000000 291000000 251000000 214000000 293000000 268000000 240000000 237000000 264000000 246000000 268000000 224000000 246000000 176000000 204000000 223000000 254000000 210000000 177000000 256000000 190000000 261000000 241000000 244000000 209000000 166000000 237000000 304000000 271000000 275000000 294000000 307000000 278000000 317000000 252000000 227000000 236000000 4-Aminobutanoate 1469850 2669130 2342325 2137147 7777223 10500000 8400567 6187458 405178 279914 293910 409652 294139 295902 2824079 2616677 2568992 3009742 1510949 1264441 1508160 1450987 2984920 2625839 2995186 2596628 2969474 2565785 2891615 1181272 1090160 1494303 2715248 2337071 1912985 2496268 1155964 1595728 1572802 2308407 1662497 1441310 2377036 3973981 4071577 4183025 4146155 4960335 3907627 3435043 2900988 2547780 2762886 L-Glutamine 258000000 372000000 331000000 382000000 322000000 392000000 381000000 410000000 28183 37187 76920 165573 96430 21622 386000000 370000000 379000000 308000000 346000000 255000000 303000000 292000000 317000000 350000000 343000000 299000000 331000000 316000000 312000000 261000000 252000000 335000000 374000000 400000000 280000000 303000000 317000000 398000000 296000000 369000000 256000000 233000000 298000000 400000000 426000000 419000000 424000000 404000000 387000000 292000000 308000000 269000000 343000000 L-Methionine 13100000 22300000 17200000 19800000 16100000 21500000 23000000 22400000 0 0 0 0 0 0 19700000 19200000 21800000 15200000 14600000 12400000 14200000 15400000 17400000 19300000 17700000 13600000 18400000 14200000 15200000 11600000 13200000 16300000 18800000 21300000 12300000 15300000 15300000 18500000 14200000 25000000 15300000 11800000 17800000 25600000 27000000 26800000 26000000 27500000 27200000 15400000 13300000 12000000 15200000 Triethanolamine 75518 110517 92680 80281 104850 109573 111316 90527 33512 71552 47861 44755 34356 34279 118143 101498 78101 116850 133478 80821 141164 114090 207519 109329 90953 103520 96508 101630 140830 58416 92073 133888 83643 86105 76951 81473 119668 92561 107721 134148 56225 72019 104129 88724 103405 95034 90520 90699 94437 353475 100041 81285 191256 L-Ornithine 4638562 6036296 6520725 5397101 5719050 7375698 6421769 6341192 16544 27746 31895 20668 27212 25377 5896101 6515320 6788787 6539030 6328763 5242231 6803558 6568236 6697808 7081721 5814485 6326123 6297175 6096204 5759889 5224301 5829303 6373177 5244420 5781409 5411811 5729456 4870020 6228027 5651917 5716997 5092938 4471534 5745918 5668536 7040538 6240165 7258420 6278403 6995869 6764564 6112616 5352209 6235850 Choline 2011131 3313194 3045265 2901804 3204651 4177074 3470927 3567600 11993 17822 13587 14986 14703 13280 3028614 3404687 3320121 3070577 2858824 2123266 3322303 2734597 3099462 3418881 3152204 2730287 3126698 2669594 3107886 1992362 2362431 2739529 2895164 3069589 2376116 2485297 2356471 3519615 2903755 3129087 2169227 1906155 3379165 3310112 3259936 3386311 3372858 3495205 3914905 3333991 2715432 2821415 2921394 Picolinamide 14100000 32800000 25300000 26400000 18100000 37000000 33900000 37600000 40004 51049 53508 93067 35704 40328 28000000 29200000 34500000 24300000 21800000 18400000 24300000 22700000 30400000 32500000 29000000 23500000 28200000 21900000 26900000 16700000 18200000 30400000 27900000 34400000 18300000 25200000 19200000 34400000 27000000 28500000 16900000 13000000 23100000 21900000 30100000 32700000 29000000 29100000 29800000 18500000 21300000 16100000 23300000 1-Methylhypoxanthine 148134 186817 205310 182389 198091 228285 232188 218943 0 0 0 0 0 0 204868 190112 216901 208334 149819 136867 163602 157875 168302 189856 195156 145049 183906 165209 145435 137961 142523 170842 189632 192332 114146 141624 135576 195143 178902 225390 136922 137703 147888 308365 300023 246983 263108 246565 262446 168716 140257 143130 186582 3-Aminobenzenesulfonate 34676 57752 41667 69277 35365 75729 74512 103393 0 0 0 0 0 0 57490 60388 81291 62839 57357 48248 76032 70609 63876 86087 67669 92128 101893 77363 75759 23236 11123 46352 48386 58901 23421 55503 46277 70265 71706 47686 36366 21181 44642 0 71311 79095 96939 97053 102882 43931 55390 58258 89602 2,3-Dimethylmaleate 823496 1302475 803286 1324501 582783 1260006 1313835 1948835 15558 16608 0 12850 0 0 1175328 1195337 1372439 663956 1138814 792841 825585 850485 1121159 1533403 1294130 868734 1039454 1079111 910937 975946 585929 1251066 1000908 1657481 907214 939456 1144952 1333305 789725 1123435 681349 457227 856288 698475 1463730 1253442 1251113 1224144 1282236 738144 670677 556211 814442 Choline phosphate 6729838 11900000 10700000 10500000 14600000 18000000 16000000 15100000 0 25993 34523 35997 25712 0 13800000 12700000 13100000 12000000 20600000 19900000 19900000 21100000 13300000 13800000 13700000 10700000 14400000 10900000 13200000 12200000 14400000 18500000 12800000 13800000 8216119 11600000 15200000 21100000 19500000 12800000 8695179 7304346 11500000 15000000 20100000 20300000 21400000 19300000 18900000 15200000 12000000 8541632 12000000 Hypoxanthine 124000000 186000000 158000000 172000000 178000000 213000000 212000000 217000000 0 0 0 92911 30015 0 182000000 190000000 238000000 157000000 168000000 123000000 155000000 166000000 175000000 199000000 164000000 156000000 191000000 148000000 165000000 133000000 132000000 169000000 191000000 199000000 120000000 154000000 148000000 181000000 147000000 184000000 128000000 92500000 148000000 280000000 260000000 265000000 249000000 243000000 243000000 172000000 136000000 147000000 159000000 a Cysteine adduct 61129 152292 46507 124771 28302 30307 71656 86300 0 0 0 0 0 0 59475 78320 94494 67474 20285 52335 77427 58429 25519 72601 23112 65158 96389 44301 26633 24762 27413 116729 93318 90651 31835 82329 29434 102623 86559 106009 68878 29455 107965 106642 101813 119102 130728 154659 168896 41184 81210 40119 92124 1-Methyl-1,3-cyclohexadiene 727331 695714 415183 366203 588111 703207 513521 237159 0 26397 0 0 0 0 545554 845308 443480 1171908 325311 304995 393370 1473295 485559 394894 444833 351599 488652 504618 411464 326418 489682 1021977 386501 200014 931433 1070736 425554 467076 1151476 574126 149330 430989 385535 166495 329250 388954 256312 334327 276427 271318 452911 844398 393632 N-Acetyl-L-glutamate 5-semialdehyde 26294 38318 50023 43284 50060 68921 79187 85494 24655 0 0 20112 0 0 70835 66771 103810 66297 105571 50907 53788 65470 97322 53496 62519 100031 80296 76654 69594 37190 37729 0 44740 83798 52035 91928 35756 64664 103635 59990 58074 33108 49931 96194 123079 122342 114454 138224 170493 49222 62347 36993 53642 Asp-Ser 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 112013 88097 93051 82247 92977 103788 0 0 0 0 4-(Trimethylammonio)but-2-enoate 16100000 25700000 26400000 20400000 34000000 34600000 28100000 22300000 23390 0 26573 25675 0 0 26900000 26600000 23300000 29900000 25500000 24300000 34900000 24900000 28700000 23900000 30000000 24200000 28500000 25300000 25900000 17100000 22200000 20400000 24500000 22700000 23100000 24500000 20200000 28600000 27700000 26300000 19700000 17500000 26000000 32900000 29200000 36700000 28100000 29900000 28600000 36800000 24300000 25500000 27400000 N-Acetylmethionine 77243 162969 117759 159824 46138 66513 45658 40722 0 0 0 0 0 0 53599 50458 55434 58562 34833 19854 37779 37395 43800 45535 50352 48829 45254 33630 50980 29214 33208 40641 37944 38083 17016 31057 31517 33180 38426 166717 129224 99483 183658 0 106548 88701 98771 98021 89374 44849 37370 37330 37149 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 150909 199457 210798 166384 256799 240026 205529 220749 0 0 0 0 0 0 203042 229121 173688 247312 198948 158320 199059 186951 229346 225065 223202 204801 191817 212892 212558 155049 146238 160476 193349 218477 145221 187359 178355 218368 184709 253824 157785 134344 234762 198880 250994 233710 267616 246626 217019 243461 216655 193285 187083 (2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 63853 106798 114720 129128 116975 101612 110340 100355 0 0 0 0 0 0 116219 101893 96278 117227 95511 80892 121250 87183 118827 88124 90180 91991 91457 95129 97269 66190 62743 82918 116487 113318 76885 115858 92044 104634 101349 110225 81768 68836 103257 401640 494145 582441 519957 511022 534867 120203 93243 97635 86772 Thr-Ala 214946 342504 362113 257662 466589 453546 357934 318432 0 0 0 0 0 0 336868 344723 350166 402309 397147 313415 436701 411538 373559 373345 365135 373276 441760 337142 385619 246667 284706 274789 366256 275090 281539 337756 283567 378323 382579 398288 294124 235861 354703 456658 466862 459557 448762 424336 423543 442983 302174 362330 322745 Thr-Cys 0 77880 32894 85232 39237 80934 64952 112678 0 0 0 0 0 0 38794 48450 108977 39348 75952 35707 58391 43894 94458 69481 123892 29856 62377 0 51178 0 0 0 44272 79968 30479 35307 22786 38082 59380 83388 0 0 42768 53478 75745 92731 89835 120935 102599 33636 27217 29414 44039 L-Proline 58900000 93000000 85900000 100000000 99800000 120000000 113000000 130000000 107145 94628 81430 369714 123965 72868 103000000 109000000 109000000 88500000 85900000 66300000 79700000 78900000 96800000 98700000 96400000 79400000 98900000 80700000 86600000 62300000 68400000 94900000 96600000 112000000 70100000 86300000 83400000 98100000 71900000 102000000 65300000 54000000 82300000 90600000 114000000 107000000 120000000 107000000 102000000 89000000 89500000 73100000 87300000 N-Methylnicotinate 56605 80512 46867 105171 40998 74685 64078 108259 0 17553 15716 19195 17725 16780 86405 85507 91908 63350 51349 45814 68001 66848 62194 87355 88206 49065 71173 51090 57015 47214 45750 77230 71918 101068 58584 55940 63037 93595 65859 75763 33495 48276 54963 89643 108888 95174 84919 91401 93821 49121 64904 35228 74659 Sulfacetamide 74808 33195 88954 42133 83419 105531 79958 74472 0 0 0 0 0 0 72766 69496 80433 90855 73205 45456 48574 77769 98208 97471 36319 88709 63437 87354 80041 80581 52312 53424 73503 32761 34821 44603 66686 70878 66987 76821 58318 26926 72848 148660 180908 165665 206820 162050 182065 97078 33581 81940 42557 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate 72014 116332 126262 116418 189550 153533 132450 129578 0 0 0 0 0 0 137290 126110 155222 151946 91475 99822 162377 136353 150323 159451 150105 111863 169264 128759 143036 96536 102955 117072 140398 103213 110212 133812 101879 121278 137935 154448 94829 80812 132925 127105 170838 171810 157107 153902 185305 137926 123432 136077 120214 5-Aminolevulinate 45400000 61600000 55800000 56600000 57600000 70500000 72100000 69200000 45062 61528 36732 39090 39355 43224 67500000 68800000 66900000 56400000 58000000 44400000 59800000 55500000 54000000 61000000 62400000 50900000 62800000 51200000 58600000 40400000 42000000 57200000 61800000 63100000 47200000 56000000 53300000 64800000 57200000 66200000 45400000 34500000 54600000 50400000 63000000 63700000 63400000 68700000 63300000 53800000 48400000 44900000 59100000 [FA oxo(8:1)] 5-oxo-7-octenoic acid 59069 32428 80013 57229 83883 72990 59118 78975 33132 16766 15153 24458 20394 15418 66001 69416 50843 40742 55534 32804 43377 30355 72561 79467 33984 48681 87462 85205 70783 61517 31767 75401 85862 59307 30651 59030 32165 71080 93247 72547 30679 27634 54928 0 107774 122189 83755 88879 89303 44426 46186 66179 65843 Asn-Asp 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 111510 105642 130407 108409 114126 110764 0 0 0 0 N-Butyryl-L-homoserine lactone 73890 85453 85849 113125 132244 113446 122981 132091 95564 70933 74593 110436 76575 76605 117983 93187 116555 93924 108862 97664 115118 109774 128337 119076 112672 95488 102475 106003 99136 103086 105744 83182 99558 92108 82964 98164 96675 119883 84581 110116 78897 93406 97473 0 181847 171396 157708 171139 160568 100954 102452 103449 95326 N2-Acetyl-L-aminoadipate 407413 575811 837638 524329 1075452 928038 808786 622930 0 0 0 0 0 0 768286 691628 735847 776541 704908 559866 776951 719656 788496 755055 654544 685064 742681 679416 741828 520262 617907 547420 757403 607059 507673 721817 570119 691614 746829 745742 540445 459174 792058 775939 1184551 1045416 1106146 1118029 1071963 913999 615438 723639 620650 Ala-Pro 1256922 2021113 2083930 1716449 2181162 2678827 2060528 1976796 17557 18541 17165 0 0 0 2074335 1886780 1904514 2304963 195835 204736 236821 192711 2044058 2007039 1887886 1901294 1846324 1983581 1890719 225543 245191 258216 1565847 1416894 1134446 1486117 260027 367904 355129 2893597 1824158 2064896 2281569 1935970 1758208 1619573 1735803 1522752 1568890 2355647 1906000 1789770 1748989 Pro-Ser 298694 468859 355293 413388 21700 0 0 0 0 0 0 0 0 0 59612 68114 31514 73624 0 20938 0 32351 0 0 34888 0 19789 0 0 0 0 0 0 0 0 0 0 0 0 586299 444624 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1542708 1130131 1147300 1085303 L-Pipecolate 7262554 10400000 12200000 10000000 14000000 16100000 13900000 13600000 27641 45566 25026 40948 47492 23750 14400000 13100000 12900000 12900000 6193884 4956791 7566187 6290398 13300000 12800000 12700000 11300000 12500000 10800000 11900000 4928603 5127111 5931268 12300000 12400000 8299917 11100000 5245974 6772291 6521251 11600000 9046130 6708005 11000000 11500000 14400000 14700000 13200000 14100000 13100000 14300000 10300000 10900000 11100000 Ile-Gly 268277 403256 332211 375486 329432 334664 244792 239754 46766 63964 47218 60850 68215 60431 239931 248596 225760 282910 232163 217602 283496 247244 291826 262354 261701 254780 281494 262016 249141 195939 232943 214769 269293 183351 192746 251186 190047 281058 260876 503093 367375 250373 529314 302975 193970 213174 202513 173689 180777 349707 275914 237813 215256 L-Leucine 17300000 26900000 27300000 28400000 26600000 35700000 39000000 37600000 65414 76851 69330 62274 63375 63299 28500000 28900000 30900000 26100000 24600000 16800000 21100000 22900000 34000000 33000000 24600000 22400000 29600000 22300000 23400000 17800000 16300000 24300000 32200000 33500000 19100000 26200000 18700000 26300000 21700000 33500000 21200000 15400000 26600000 18200000 46800000 53100000 49500000 48100000 48400000 27000000 22100000 20800000 25200000 Methacholine 3301138 4905476 5732485 4021281 6717683 6614989 5290832 4192593 20957 21327 0 22756 0 0 5372710 5743947 4713429 6346758 4780016 4280073 6377212 4982423 5627172 5419310 5451538 4744685 5471461 5648890 5098097 3229712 3954196 4172165 5418010 4719059 4039565 5276000 3840848 4909953 5956839 5555963 4020430 3809618 5305698 6127144 6119590 6421187 6556185 6066464 5965056 6075555 5531789 5129713 4517186 N-acetyl -D- glucosaminitol 94975 148858 188135 125141 278765 198938 186969 135992 0 0 0 0 0 0 182079 185575 149427 181210 156565 166573 165296 198122 194921 156796 146108 180217 185469 155423 176060 106691 146353 137858 148283 136063 126674 152364 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3666824 5019297 3906874 5950700 4580866 3758571 5075126 4719627 5418430 5322784 5387671 5564893 5624662 4010574 3924122 3630637 4614288 alpha-Methylstyrene 636306 535935 377839 122024 306879 713999 385785 0 33027 32333 33155 32126 34640 42438 477724 902470 359401 765845 431918 356185 142774 625123 341622 129597 294361 239906 170667 439142 388741 334796 477871 602236 413485 0 470596 1040739 339201 398047 851027 288986 69069 280727 626437 214545 128947 153654 154929 124947 94590 188627 385524 703654 162169 L-Arginine 27500000 35000000 27500000 36100000 23700000 34900000 36300000 42100000 15223 58047 61227 27712 63660 57023 35900000 39300000 37700000 28000000 29600000 24100000 26400000 28400000 30300000 34200000 35000000 28200000 31200000 28200000 28600000 24000000 23200000 31300000 33300000 40400000 28000000 29000000 29200000 34600000 28200000 31400000 25700000 21200000 26300000 35100000 34900000 34000000 33500000 36700000 36700000 25300000 24700000 22400000 30500000 Cumene 1761653 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191369 310944 338587 265967 518500 488651 515827 487579 529936 484278 339502 389047 291972 Pyridoxine 4393533 8018504 4993531 6736267 5409426 8004355 8227782 9264683 0 0 0 0 0 0 6942172 9070352 8115689 5224796 5666718 4114201 5917454 5281344 5508562 7179748 6990268 5097121 6598191 4795684 5912291 3964429 3653306 6641759 6617650 8715655 4887079 5462958 5129901 7513122 5714554 6914645 4250373 3382146 5170292 7550331 7120306 6636291 6555186 6355504 6447247 5186367 5035683 3815009 6223812 Aspartyl-L-proline 1857895 2909867 3222363 2398958 3530676 4083426 3747604 2850251 0 0 0 0 0 0 3420370 3074011 2989580 3392695 683463 651594 1010206 814040 3342714 3084574 3107841 2862719 3109499 3033371 3299609 556492 680757 708749 2835596 2752346 2209677 2715073 743450 912961 942766 3377764 2374125 2122603 3187184 3830386 4592287 4396476 4337773 4369240 4402056 3736417 2898551 2992447 2849312 5-6-Dihydrouridine 122961 135662 172826 113484 198571 205249 202113 158818 0 0 0 0 0 0 159561 196790 152813 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317162 288489 426166 458025 373137 390569 447398 389506 360408 259702 302028 283900 366507 352293 255359 337426 226306 281026 392457 343624 213483 236780 385635 406433 703179 868338 741764 700232 829235 492959 304201 345158 323017 N-Methylpelletierine 133608 265142 172885 204603 266652 336674 336395 395926 46829 69445 50676 45875 39207 30742 193590 241044 225191 184170 182681 127908 205717 174188 429692 387753 432134 364977 420406 350888 369038 239046 263807 418319 159169 245172 152833 182943 189959 210186 217833 205527 155900 102953 181594 286294 243311 343694 261173 224032 225204 153906 155160 142786 173659 8-Amino-7-oxononanoate 1306768 2123379 2294106 1552304 2774321 2547578 2155139 1774724 74376 71195 71759 72171 69599 80379 2164288 2318274 2015898 2390854 1890840 1763483 2363401 2222683 2380599 2078831 2323179 1899801 2386366 2019556 2023489 1331371 2169105 1944302 2106537 1864321 1557553 2279774 1521596 2001373 1968066 2080871 1583935 1525946 2062375 3164471 2554703 2652446 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148408 148708 556971 0 0 229518 0 609501 358398 0 337847 388524 0 0 0 0 0 840733 754861 1030990 1278416 889385 932557 0 53949 0 88094 UDP 55636 103055 70415 97074 92444 115423 120251 114798 0 0 0 0 0 0 111406 114515 77448 84340 113411 87013 94003 78205 103061 104737 106519 84264 105534 92908 91777 93021 72338 100875 117371 115337 75531 76418 85865 110233 80222 81982 68606 51183 78605 183002 230478 234779 225883 221691 212904 102929 65471 73481 80162 N-Acetylanthranilate 172753 205278 327265 244062 292856 348844 398975 268381 0 0 0 0 0 0 303433 251520 260636 335060 234547 211753 271034 253530 270775 244639 228791 299338 340318 256243 331213 216416 254598 226603 275276 234415 208407 246880 201845 274494 325616 298805 199973 180781 259599 266155 439390 614292 348426 530523 460710 294497 270285 244539 236444 Pantothenate 877729 1032693 1130917 1151044 1448710 1803548 1454833 1195996 0 0 0 24279 0 0 1170240 1212689 1283865 1082641 1122045 882871 1075153 1033254 1184994 1439232 1127667 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641779 398.1981579 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8029679 10000000 10300000 0 0 0 0 0 0 0 0 0 0 0 998141 936206 916619 808201 889950 844132 0 0 0 0 202.0453806 1260526 3122094 1556104 2268020 2621475 2979039 3518848 2731270 47204 0 0 52375 0 0 2281039 2146415 1885667 1986976 2030365 1825466 2485951 1521572 2370667 2214548 2700952 1859598 2060423 1575113 1901774 1822809 1565948 1738567 1493670 2920985 1417120 1546024 2013595 2368733 1483481 1502246 1437059 1480947 1722981 6281336 9550024 9408690 9075087 8918269 9105000 2593705 1435898 1935361 1745936 218.0192899 4715538 6299238 5357340 5478912 4875994 7282667 5396315 6392132 19727 42631 31400 18003 32139 35902 5779130 6828389 6383979 4989349 5403026 4215915 5578601 5270142 5411765 6144195 5862701 4859025 5915040 5867877 5278749 4533098 4135036 6197918 5639797 6022771 5523514 6073184 5535356 6022790 5980079 6567540 4563391 3968774 5377294 2655460 1515437 1485942 1413908 1388529 1350545 5609398 5719678 4382359 5594098 133.0197745 2355375 5670066 1771591 6207273 891968 2514638 3777067 6554972 0 0 0 0 0 0 3233915 4477343 7047288 1698900 1654965 1680967 1857702 2268118 2192938 5993741 2099134 2641089 3527955 2306624 2320890 2116480 1356345 5479647 3035788 6343456 1955079 3497085 2181089 4606909 2962942 3822478 2046669 907192 2825048 572728 5161145 5518294 5997026 6264802 6345342 1055720 1633803 1248773 3347660 233.0699136 5266721 5367343 5080089 5900750 5783398 4966012 4853611 5191380 2582750 2205014 2004708 2677341 2421405 2320485 5500110 4875280 5016933 5274048 5430859 5772794 5473934 4960884 5120944 4820744 5296820 5960630 5154574 5542207 5453825 4977379 5124705 5456682 5230391 5223978 5426451 5521610 5410736 5439781 5533063 5615959 5711543 5242392 4960893 1019281 3557465 3602926 3616469 3717263 3875163 5912782 5830547 5497084 5249295 233.069864 5026462 4458406 5134018 5203572 4647791 4497761 4398437 5170304 2110217 2138190 2004708 2284673 2421405 2320485 4972235 5267177 5113066 4944520 4735315 5561470 4923325 4393684 4730110 4379611 4669989 4717433 4735749 4733378 4373261 4885680 4848748 4535578 4664036 4495750 4612599 4477576 4983482 5849083 4805620 4790063 4661221 4695450 4937207 936045 2575591 2916793 2636640 2682849 2667412 5277266 5264948 4712321 5024478 227.1883295 699151 1469684 3152163 1703359 4972989 3349007 1905996 5395452 238291 208929 280284 255095 228597 218460 846459 1551352 933137 2668012 1030058 1270744 5098515 2550471 3102997 3680238 1037781 4647553 5549067 3538761 2857140 627444 1385838 642471 480395 1156530 1338184 2643734 1152690 1654213 4090559 3105311 3401690 1251960 1186278 1083777 1297711 1156059 1308649 1264113 1454934 2631680 1526058 1630163 3137033 678.504203 4076726 4384157 4781120 4326762 4523986 4116051 4838852 4168100 3635653 3671361 3381032 3789702 3360646 3374083 4350175 4227507 5000123 4601730 4459132 4094352 4354378 4775127 4784531 4520594 4594423 4517300 4453046 4593837 4853990 4170286 4645915 4140470 4204718 3936855 4534706 4937413 5090641 4226002 4668704 4461665 4800222 4960195 5045313 2018487 4673889 4746609 4756309 4870772 4467410 5021958 4406459 4867620 4438650 metabolite_name KEGG ID m/z Retention times Adenosine C00212 267.0967126 8.518891485 ADP C00008 427.0292176 15.06711213 5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol - 177.0790205 4.163692313 Nicotinamide D-ribonucleotide C00455 334.0564564 14.82477351 CDP-choline C00307 488.1079821 15.09366727 Damascenine C10588 195.0895092 4.44490345 Trimethyl-2-propenylpyrazine - 162.1156827 4.170739175 Convicine C08430 305.085935 19.03065038 Asn-His - 269.1122578 12.90276038 [FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone C11839 213.1002795 4.51480294 Glu-Pro - 244.105961 15.26930538 Glu-Glu C01425 276.0961831 17.03409512 (1R,4S)-fenchan-2-one - 152.1200929 3.91677357 Biotin amide C01893 243.1039416 9.847877268 Ala-Gly-Pro - 243.1219204 12.7229826 Cys-Gly-Pro - 275.0939318 9.85420096 Glu-Ala-Gly-CHO - 259.1168278 11.04685938 L-Alanine C00041 89.04762932 14.40011465 2-Amino-9,10-epoxy-8-oxodecanoic acid C12027 215.1158323 12.29147123 N-(3-oxohexanoyl)-L-homoserine - 231.1107265 4.825004578 Creatinine C00791 113.0588861 9.362823768 Met-Pro - 246.1037167 8.624443563 Leu-Asp - 246.1215219 12.36498523 Ala-Ala-Asn - 274.127917 13.01945218 Ala-Asn-Ser - 290.1227231 16.76989215 Met-Ala-Gly - 277.1092429 12.35172334 O-Propanoylcarnitine C03017 217.1313787 9.102493325 Asn-Arg - 288.1545389 16.1706646 Thr-Arg - 275.1594171 15.36289506 indole-3-acetonitrile oxide - 172.0637266 5.18769521 (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one - 188.0587936 7.109054622 L-Threonine C00188 119.0582528 14.380021 (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid - 218.0692109 4.843271198 4-Guanidinobutanoate C01035 145.0853083 14.74698365 5-Hydroxytryptophan C01017 220.0848125 10.25325325 Cantleyine C09933 207.0895913 4.012788797 5'-methylthioformycin - 297.089571 5.579188175 p-Lactophenetide C14262 209.105157 4.216135638 Methocarbamol - 241.0949627 4.762949665 Pentylbenzene - 148.1252335 3.89992083 4,8-Dimethyl-1,3E,7-nonatriene - 150.1408643 3.915038143 Glu-Cys-Cys - 353.0711968 11.48338069 Glu-Ala-Ser - 305.1224473 14.61003146 4-Hexyl-2,5-dimethyloxazole - 181.1466393 6.993714633 Lotaustralin C08334 261.1211409 12.69646505 N-(1-Deoxy-1-fructosyl)proline - 277.1162226 12.15387247 Leu-Pro - 228.1473225 9.387605757 Glu-Leu - 260.1371712 10.33635671 Lys-Pro - 243.1582052 15.00973327 O-Butanoylcarnitine C02862 231.1470261 8.144522717 Leu-Val - 230.1629924 4.820621258 Lys-Val - 245.1738718 21.42796795 Val-Arg - 273.1803506 13.12698222 3-Oxohexobarbital C02517 250.0953179 4.384061128 Agaritinal - 265.106043 7.082916272 Dihydroferuloylglycine - 253.094958 4.299681708 Thiamin C00378 264.1044029 20.5957084 Adenine C00147 135.0545177 9.08774205 Pirbuterol C07807 240.1473912 12.20998134 S-(2-Hydroxyethyl)glutathione C14875 351.1098071 14.11138629 Lys-His - 283.1643622 15.61002264 N6-Galacturonyl-L-lysine - 322.13744 14.69985129 Ala-Ala-Ala-Ser - 318.1536343 17.60385582 Asp-Gly-Arg - 346.1596763 17.51195507 Dicyclohexyl disulfide - 230.1165529 7.085828435 2-Methylbutyroylcarnitine - 245.1626058 7.344338615 N-(1-Deoxy-1-fructosyl)isoleucine - 293.1474105 9.620767897 psicoselysine - 308.1582696 20.71446803 N2-Fructopyranosylarginine - 336.164703 17.73840052 Tributyl phosphate C14439 266.164639 3.832989928 6,7-Dimethyl-8-(1-D-ribityl)lumazine C04332 326.1225989 13.18775357 Asp-Cys-Cys-Ser - 426.0878429 17.0858622 Glu-Met-Ser - 365.1258311 13.38015356 Lys-Thr-Ser - 334.1853544 15.06466893 Hypaphorine C09213 246.1368102 8.200712458 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene - 190.172152 3.903427272 Asp-Thr-Cys-Cys - 440.1034147 16.64281501 FA (14:2) tetradecadienal - 208.1827314 3.903926898 N-Acetyllactosamine C00611 383.1429039 13.22365774 CMP-N-trimethyl-2-aminoethylphosphonate C05674 472.1128858 14.0264016 L-Citrulline C00327 175.0957384 15.70308363 Nicotinate C00253 123.0320264 7.741186495 Glu-Glu-Pro - 373.1485132 17.18319812 Ala-Val-Gly-Pro - 342.1900043 9.49860367 5-Nitro-2-(3-phenylpropylamino)benzoic acid C13705 300.1108482 4.474715698 C16H19N3O3 - 301.1426476 8.734425217 Trp-Cys-Gly - 364.120123 8.353912095 Cys-Phe-Gly-Gly - 382.1310535 10.01011857 GDP-mannose C00096 605.0771895 18.59473728 Asn-Gly-Pro-Pro - 383.1803499 11.06555113 FA (16:2) - 252.2088309 3.894719355 Ala-Leu-Thr-Ala - 374.2165397 13.94748848 2-chlorohexadecanol - 276.222169 6.930031313 Undecanoylcholine - 271.2511629 4.031165217 Lauroyl diethanolamide - 287.2460184 3.93113713 Hexadeceylamin - 241.2769023 7.091002308 Asp-Val-Pro-Ser - 416.1908737 9.834137257 Ile-Ile-Pro - 341.2315077 12.43660226 Ile-Lys-Pro - 356.2423097 20.5013941 Met-Phe-Asp - 411.1466255 10.36960856 Ile-Cys-Phe - 381.1719825 7.799539107 4-Trimethylammoniobutanoate C01181 145.1103183 12.80032328 Linoleamide - 279.2563332 3.932650867 L-Carnitine C00487 161.1052353 12.79689131 [FA (18:1)] 9Z-octadecenamide - 281.2719181 3.886438238 (+)-Prosopinine C10167 313.2617511 7.11599856 N-Acetyl-D-mannosamine C00645 221.0900253 12.06419768 [SP] Sphing-4-enine C00319 299.2824453 4.107410408 [SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol - 301.2981999 7.086826778 Phenolsulfonphthalein C12600 354.0561152 7.037705788 Ala-Glu-Glu-His - 484.1926009 15.69402724 cyclic GMP-AMP - 674.0992835 13.71968531 Deoxycytidine C00881 227.0905003 10.03316345 3-Indoleacetaldoxime C02937 174.079312 7.050318157 Asn-Leu-Pro-Pro - 439.2432116 10.28779322 5-Hydroxyconiferaldehyde C12204 194.0580185 6.705094542 NADP+ C00006 743.0759505 16.78854808 Pipericine - 335.31941 3.848536953 PC(14:1) - 451.3065261 4.367521837 ATP C00002 506.9959292 16.5178263 LysoPE(18:1) - 465.3222088 4.323769273 LysoPE(O-18:0) - 467.3370005 4.426557165 Heptadecanoylcarnitine - 413.3504383 4.20453922 LysoPC(O-16:1) - 479.3378783 4.260597393 LysoPC(16:0) C04230 495.3331388 4.310090832 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine C13903 481.353021 4.344420918 LysoPE(20:4) - 501.2850579 4.199879092 O-9Z,12Z-Hexadecadienoyl-R-carnitine - 423.3350601 4.196686613 Oleoylcarnitine - 425.350591 4.175237255 Stearoylcarnitine - 427.3662307 4.164296473 LysoPE(P-20:0) - 493.3534442 4.224774838 Cys-Trp-Ser-Tyr - 557.1951986 8.887692377 PC(18:2) - 519.3323171 4.247176612 LysoPC(18:1) - 521.3485815 4.21765033 LysoPC(18:0) C04230 523.3644213 4.207343487 LysoPC(O-18:0) C04317 509.3850018 4.25056075 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene - 368.3442941 3.514756722 C29H31F2N3O - 475.2433118 7.105176068 (24R,24'R)-Fucosterol epoxide C03910 428.3656909 3.634025002 Nebrosteroid M - 446.3759822 3.682334933 Glutathione C00051 307.0838992 18.61850593 Dethiobiotin C01909 214.1315869 8.835969303 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine C00195 537.5129607 3.584786537 Montecristin - 574.4953718 3.486267623 Cohibin C - 576.5106242 3.515354162 PE(32:1) - 689.4990802 3.488726278 PE(32:0) - 691.5148107 3.484548393 SM(d32:1) - 674.5360928 3.987641677 PC(30:0) - 705.5303563 3.74532949 SM(d33:1) - 688.5525019 4.013384287 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol - 602.5265494 3.488995508 PE(34:3) - 713.4994153 3.644421798 PE(34:1) - 717.529556 3.634917632 SM(d34:2) - 700.5518457 3.958245517 SM(d34:1) - 702.5676189 3.967703785 Glutathione disulfide C00127 612.1516741 17.46228842 NAD+ C00003 663.1095567 13.70933079 O-Palmitoyl-R-carnitine C02990 399.3348105 4.24679149 Trp-Trp-Tyr-Tyr - 716.2953581 10.58126041 PS(34:1) - 761.5199685 3.494078205 Cer(d40:2) - 619.5904018 3.568712503 PS(34:0) - 763.5358215 3.463884295 PC(32:1) C00157 731.5462861 3.724998718 PC(32:0) - 733.5624372 3.70471699 SM(d35:1) - 716.5826639 3.954358663 DG(38:6) - 640.5066147 3.827691495 PE(36:5) - 737.4991236 3.67667339 PE(P-36:4) C00350 723.52062 3.632333653 PE(36:4) - 739.5140045 3.643959305 PE(P-36:2) C00350 727.5523822 3.639025643 SM(d36:2) - 728.584213 3.92988557 SM(d36:1) C00550 730.5996098 3.920928847 PC(34:2) - 757.56204 3.712195913 [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine C00195 647.621477 3.571072108 PS(36:0) - 791.566389 3.44378397 PC(34:1) - 759.5773111 3.697762275 PE(38:6) - 763.5154052 3.631191038 PE(P-38:5) C00350 749.5349396 3.602097752 PE(O-38:5) C00350 751.5520735 3.612757697 PE(38:2) - 771.576818 4.225509623 PE(38:1) - 773.5931547 3.676053527 SM(d38:2) - 756.6140181 3.882201933 PC(36:2) - 785.5931563 3.676178943 PC(36:1) - 787.607986 3.661457248 PE(P-40:5) - 777.5685189 3.590516658 [PI(36:0) - 879.5850147 3.503340692 SM(d40:2) - 784.6473428 3.800557053 SM(d40:1) C00550 786.6622035 3.803845845 PC(38:6) - 805.5622979 3.678735258 PC(38:5) - 807.5776985 3.665030142 PC(38:4) - 809.5929266 3.648687177 SM(d41:2) - 798.6623685 3.803281095 SM(d41:1) - 800.6763804 3.795685328 SM(d42:2) C00550 812.6780334 3.7604286 PC(40:7) - 831.5775611 3.655266028 PC(40:6) - 833.5932942 3.646025007 SM(d44:2) - 840.7083897 3.767903915 Heme C00032 615.1691968 10.96889762 3-Butynoate C06144 84.02105814 14.28429554 N-dimethylethanolamine - 89.08402647 17.52770123 L-Valine C00183 117.0789631 10.87500602 4-Aminobutanal C00555 87.06836476 10.68520411 (S)-1-Pyrroline-5-carboxylate C03912 113.0476055 8.344628187 methiin - 151.0301804 10.58712821 PS(52:0) - 1027.781062 3.423273105 xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole - 98.08445824 10.5722401 Cys-Gly C01419 178.0412333 14.33027215 O-Acetyl-L-homoserine C01077 161.068757 10.74274838 D-Glucosamine C00329 179.0793461 14.65979215 3-nitro-2-pentanol - 133.0739004 7.076010562 L-Methionine S-oxide C02989 165.0459342 13.21355457 5-Acetamidopentanoate C03087 159.089604 11.85216031 N-Acetyl-L-citrulline C15532 217.1059871 12.5594904 N6-Acetyl-N6-hydroxy-L-lysine C03955 204.1108601 11.52304079 gamma-Glutamyl-Se-methylselenocysteine C05695 312.0220164 16.41633338 Guanine C00242 151.0494655 12.11923396 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C01259 204.1474036 19.82232693 Mesaconate C01732 130.0266566 15.66156317 2-O-Methylcytosine - 125.0589021 7.270537637 A-Ketoglutaricacidoxime - 161.0324651 8.246760582 gamma-Amino-gamma-cyanobutanoate C05715 128.0584571 14.772914 N-Methyl-2-pyrrolidinone C11118 99.06833433 7.019989952 AMP C00020 347.0630541 13.58070644 Biotin C00120 244.0879291 8.700762402 L-Tryptophan C00078 204.0899447 11.32855166 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one C15606 162.0351483 7.318699958 3,3'-Thiobispropanoic acid - 178.0298442 7.493321635 S-Adenosyl-L-homocysteine C00021 384.121625 12.96989204 S-Adenosyl-L-methionine C00019 398.1372557 15.86211376 5-Guanidino-2-oxopentanoate C03771 173.0800995 13.97736034 [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid C03656 145.0739651 12.11203964 D-myo-Inositol 1,2-cyclic phosphate C04299 242.0190387 15.4003693 L-Cystine C00491 240.0237715 16.35693078 L-Serine C00065 105.0425802 15.76006767 N-acetyl-demethylphophinothricin - 208.0615047 15.27010431 N-hydroxyisoleucine - 147.0895238 11.75289019 D-Glucose oxime C02264 195.0742264 12.43973786 L-Asparagine C00152 132.0535386 15.24217615 N-Acetylputrescine C02714 130.110658 19.07587067 Creatine C00300 131.0693786 14.35592262 4-Aminobutanoate C00334 103.0633022 15.14304938 L-Glutamine C00064 146.0691152 14.89602268 L-Methionine C00073 149.0510904 11.21558556 Triethanolamine C06771 149.1052724 8.86790803 L-Ornithine C00077 132.0899206 21.72914092 Choline C00114 103.0996767 20.3192414 Picolinamide C01950 122.0479993 7.075118967 1-Methylhypoxanthine - 150.0541516 8.76892886 3-Aminobenzenesulfonate C06334 173.0147362 5.30494314 2,3-Dimethylmaleate C00922 144.0423324 14.31247856 Choline phosphate C00588 183.0661045 14.54881615 Hypoxanthine C00262 136.0385011 9.934748143 a Cysteine adduct - 191.0252372 15.70291054 1-Methyl-1,3-cyclohexadiene - 94.0782018 3.906664157 N-Acetyl-L-glutamate 5-semialdehyde C01250 173.0688163 9.779478272 Asp-Ser - 220.0695086 16.20936975 4-(Trimethylammonio)but-2-enoate C04114 143.0946616 10.19826305 N-Acetylmethionine C02712 191.06155 5.258838318 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate - 191.0795239 12.92472571 (2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate - 272.0298651 16.39038078 Thr-Ala - 190.0953296 11.73698615 Thr-Cys - 222.0673603 12.21419288 L-Proline C00148 115.0633068 12.43275289 N-Methylnicotinate C01004 137.0477046 17.29978373 Sulfacetamide - 214.0411791 9.171186918 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate - 186.0528908 14.13957275 5-Aminolevulinate C00430 131.058454 14.2018407 [FA oxo(8:1)] 5-oxo-7-octenoic acid - 156.0785407 4.877362293 Asn-Asp - 247.0803858 16.05404985 N-Butyryl-L-homoserine lactone C11837 171.089625 4.900452623 N2-Acetyl-L-aminoadipate C12986 203.0794933 11.97201699 Ala-Pro - 186.1004711 11.51565887 Pro-Ser - 202.0954578 13.07610867 L-Ala-L-Glu - 218.090255 10.17040055 gamma-L-Glutamyl-L-cysteine C00669 250.0621893 11.58593339 6-Acetyl-D-glucose C02655 222.0739758 14.12302823 L-Glutamate C00025 147.0531525 14.75461266 N-Acetyl-L-leucine C02710 173.1052088 11.2209623 L-Pipecolate C00408 129.0790182 11.9811896 Ile-Gly - 188.1160534 11.9773934 L-Leucine C00123 131.0946395 10.33965721 Methacholine C07471 159.1259748 12.76089208 N-acetyl -D- glucosaminitol - 223.1055382 11.75080449 NG,NG-Dimethyl-L-arginine C03626 202.1430435 20.95183967 D-erythro-D-galacto-octitol - 242.1002813 15.35363124 L-Lysine C00047 146.1055758 22.37975295 alpha-Methylstyrene C14395 118.0782152 3.891808033 L-Arginine C00062 174.1116607 23.65141377 Cumene C14396 120.093867 3.89596697 gamma-Glutamyl-beta-cyanoalanine C05711 243.0853688 13.77304684 Ginkgotoxin - 183.0896128 4.30153393 Pyridoxine C00314 169.0739122 7.695619877 Aspartyl-L-proline - 230.0902477 15.62181087 5-6-Dihydrouridine - 246.0850416 14.08162277 Hercynine C05575 197.1165156 11.668751 Ergothioneine C05570 229.0884215 14.67561632 Asn-Pro - 229.106159 13.82442375 4a-Hydroxytetrahydrobiopterin C15522 257.1120157 14.20173813 Pseudopelletierine C10865 153.1153762 4.875170977 Otonecine C10356 185.105359 11.36858743 Thr-Pro - 216.1108736 11.68042051 Glu-Thr - 248.1007956 14.68606057 N-Methylpelletierine C06184 155.1310178 4.797838233 8-Amino-7-oxononanoate C01092 187.1209407 11.26778394 O-Acetylcarnitine C02571 203.1157274 10.39224725 sn-glycero-3-Phosphocholine C00670 257.1024116 13.96497791 Muramic acid C06470 251.1004015 14.47141475 N-(3-acetamidopropyl)-4-aminobutanal - 186.1367796 7.043112103 Ile-Ala - 202.1318187 12.15033491 Ile-Ser - 218.1265517 8.398690707 Pyridoxal C00250 167.0582688 7.866494595 Ser-Arg - 261.1441033 16.29660373 L-Phenylalanine C00079 165.0790091 9.725704617 L-Tyrosine C00082 181.0739655 12.85962983 3-Methyleneoxindole C02796 145.0529174 7.097237882 UDP C00015 404.0023846 16.69873363 N-Acetylanthranilate C06332 179.0582744 8.412263157 Pantothenate C00864 219.1106792 8.603912258 N6,N6,N6-Trimethyl-L-lysine C03793 188.1525557 21.11209943 452.3363907 - 452.3363907 6.896935307 260.0804939 - 260.0804939 10.47729187 736.2787015 - 736.2787015 10.59828521 463.2084783 - 463.2084783 7.117338257 1,8-Diazacyclotetradecane-2,9-dione C04277 226.1679322 4.877822727 211.0877967 - 211.0877967 12.1873669 211.0878013 - 211.0878013 13.65815437 339.2521604 - 339.2521604 14.24458794 369.1931235 - 369.1931235 10.56368526 339.2521828 - 339.2521828 15.17768451 339.2520821 - 339.2520821 20.02800862 339.2521487 - 339.2521487 9.94051696 339.2521891 - 339.2521891 10.44645689 339.2521949 - 339.2521949 11.36163565 339.7538327 - 339.7538327 10.5707012 419.3248553 - 419.3248553 3.854482965 398.1981579 - 398.1981579 3.784224108 202.0453806 - 202.0453806 17.16675 218.0192899 - 218.0192899 17.10651632 133.0197745 - 133.0197745 8.516486525 233.0699136 - 233.0699136 10.8487747 233.069864 - 233.069864 10.38922554 227.1883295 - 227.1883295 4.143608335 678.504203 - 678.504203 3.70707126