Metabolite_name RefMet_name T_1h_1 T_1h_2 T_1h_3 T_1h_4 T_3h_1 T_3h_2 T_3h_3 T_3h_4 T_6h_1 T_6h_2 T_6h_3 T_6h_4 Control_1h_1 Control_1h_2 Control_1h_3 Control_1h_4 Control_3h_1 Control_3h_2 Control_3h_3 Control_3h_4 Control_6h_1 Control_6h_2 Control_6h_3 Control_6h_4 Blank_1 Blank_2 Blank_3 QC_1 QC_2 QC_3 Factors - treatment:C12-o-(BG-D)-10_1h treatment:C12-o-(BG-D)-10_1h treatment:C12-o-(BG-D)-10_1h treatment:C12-o-(BG-D)-10_1h treatment:C12-o-(BG-D)-10_3h treatment:C12-o-(BG-D)-10_3h treatment:C12-o-(BG-D)-10_3h treatment:C12-o-(BG-D)-10_3h treatment:C12-o-(BG-D)-10_6h treatment:C12-o-(BG-D)-10_6h treatment:C12-o-(BG-D)-10_6h treatment:C12-o-(BG-D)-10_6h treatment:Control_1h treatment:Control_1h treatment:Control_1h treatment:Control_1h treatment:Control_3h treatment:Control_3h treatment:Control_3h treatment:Control_3h treatment:Control_6h treatment:Control_6h treatment:Control_6h treatment:Control_6h treatment:Extraction blank treatment:Extraction blank treatment:Extraction blank treatment:Pooled QC treatment:Pooled QC treatment:Pooled QC 11-O-Demethylpradinone I 180671 139807 152834 200107 225272 191088 185069 112712 179647 190275 291670 139877 228039 266384 121629 270670 13^-hydroxy-alpha-tocotrienol 5377601 7400316 5513310 2953634 397266 896167 738363 2165798 320084 482012 259115 306952 387083 335224 329869 13-[O(2^)-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6^^)-acetate 41129 24328 35828 30363 44471 44299 37269 32059 76229 85083 130059 82281 68998 55572 84669 70875 37774 38206 42244 41162 63312 48488 42212 16-bromo-7E_15E-hexadecadien-5_13-diynoic acid 321525 235726 373903 403766 1004920 946519 718853 965107 352519 598583 483507 577315 754190 978980 1125915 1299463 626094 600485 725661 436973 511394 317151 348934 392296 855346 1081600 1063614 1_8-Diazacyclotetradecane-2_9-dione 1,8-Diazacyclotetradecane-2,9-dione 60573801 64344754 51956923 50162913 30962524 30996524 29662363 32514229 31016885 30384690 28569380 28143379 37195153 31420265 35386871 33741472 33104959 30230971 30748035 28793238 34195147 29412200 29360139 28757851 44509396 37664572 39405816 45782470 39257466 42146457 1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0) 661392 990671 973242 465682 375583 436997 507211 575926 323601 431539 470052 451238 1064832 1237134 1463716 1246983 779207 851136 811657 980893 668148 495187 560208 576424 984612 895445 925857 1-Epideacetylbowdensine 1660553 646247 634939 1175693 384072 456678 225932 571236 348728 532437 567275 406062 420884 286582 766563 622369 397722 323095 332851 251846 354723 440507 487427 277465 604213 651244 637372 1-Epideacetylbowdensine_1 715115 1095820 894215 753525 159272 240456 241061 463850 269302 286459 205187 198161 250046 316206 268956 257225 142642 188919 174442 228292 360765 238820 279093 215740 317455 257181 440003 1-Isothiocyanatopentane 44887 72062 73548 56160 33598 47162 47641 40969 18865 42989 31479 33757 42101 47249 52413 39491 103377 101109 115919 100114 70999 80689 101700 58641 78801 58824 87417 1-O-Methyl-myo-inositol 122755 151214 163788 161214 180607 151749 190684 154935 200965 210828 212076 209165 166046 182807 179038 181865 168464 186073 186365 175964 194760 180397 166172 171683 38871 34124 31576 214530 209597 224974 (1R_6R)-6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate 398991 799110 1048839 1038056 1313642 2016063 2307654 2792143 506017 1070631 726546 2271238 1336565 1740593 2904246 2638658 577967 405503 856001 780830 288572 427377 224367 899577 1653737 2549032 (1xi_3xi)-1_2_3_4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 80795 118292 117890 86772 82055 75229 110952 94754 82416 133193 104489 92828 78381 86912 81774 73468 111186 107288 118029 111251 90926 89024 79496 96485 127046 133125 138872 20-Trihydroxy-leukotriene-B4 45708 47542 66955 43129 76406 77564 65019 48559 150659 93757 100230 115440 78079 86961 68798 2_2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran- 8-methanol diacetate 280339 145607 144797 374224 284318 214805 223168 2-(2-Methoxyphenyl)-4H-furo[2_3-h]-1-benzopyran-4-one 15217 22036 43971 33477 49514 30993 80082 87078 93429 99891 34880 30904 36110 33874 70866 67378 88162 65827 72416 73018 69103 83344 88514 100280 117038 2_3-Dimethylmaleate Dimethyl maleate 156100 238926 294309 212705 131967 146785 143196 171676 167516 180008 119151 110391 145716 194779 167421 171194 162679 157466 154960 120197 230569 125993 115205 161493 103916 91549 120173 501135 255979 283849 2-(4-Methyl-5-thiazolyl)ethyl butanoate 583154 675293 468867 466594 270154 305671 321602 388654 307307 328068 312071 312890 343974 380393 367036 368121 289563 288985 346940 274506 325321 314327 288338 262286 171529 173272 174134 422996 411945 463126 2-(4-Methyl-5-thiazolyl)ethyl butanoate_2 15671767 16037224 12968288 12538301 7260773 7453995 6873570 8245280 7787279 7721600 7412159 7364746 9107608 8191259 8531128 8768391 8230725 7595820 7576099 7656547 7910695 7337576 7177966 7083705 9826942 10217598 9876554 10555297 9926078 10357455 2-(4-Methyl-5-thiazolyl)ethyl propionate 253549 308260 214903 220140 159717 132761 93605 121152 118992 90208 90627 101369 188498 122021 133353 138276 141923 115272 139665 105890 111144 127538 110817 103989 157426 194677 152828 249807 163491 181910 2^^_6^^-Di-O-acetylononin 33940 24499 34851 21013 52717 58070 61681 72361 31698 32650 28766 35301 79698 84592 124985 74964 84266 68236 104934 93748 153981 118421 133762 2_6-Dioxo-6-phenylhexanoate 24573 32544 35092 35387 41153 36404 48595 41253 126354 125617 120729 118189 63510 55770 51165 58530 95901 87777 93006 88833 129935 107843 105609 106038 134602 122786 132426 2_7-Anhydro-alpha-N-acetylneuraminic acid N-Acetyl-2,7-anhydro-alpha-neuraminic acid 29771 34026 20884 36692 27777 53346 60165 28611 31790 29587 42614 82591 88064 71930 102265 46637 69015 56456 2-amino-4-oxo-6-(erythro-1^_2^_3^-trihydroxyprolyl)-7_8-dihydroxypteridine triphosphate 145300 97056 136798 125499 101903 120110 115206 158772 125714 125397 103316 137340 89610 90868 82036 80221 82706 110977 100303 121015 84778 101946 81497 132012 2-Benzothiazolesulfonamide 1204607 651916 764887 194753 262634 517612 422525 133531 87593 268037 273802 179497 293766 306465 2-C-Methyl-D-erythritol 4-phosphate 159252 136191 61230 128369 76152 66948 52054 65171 81989 525479 531884 587982 2-Deoxy-D-ribose 1-phosphate Deoxyribose 1-phosphate 72442 61218 104757 45501 603261 442170 324341 371054 387659 360824 302584 387942 833618 786876 936434 1079207 491218 464039 398768 334915 412311 335655 312551 281289 574444 568087 541028 2-Dodecylbenzenesulfonic acid 2-Dodecylbenzenesulfonic acid 38162417 181118843 37674718 74854889 4563072 32871065 8144685 44873452 4407247 17428081 6765225 11206486 4221259 4632713 6173871 5402026 4265990 3548269 3853701 5721488 4832133 2834831 3547458 3353345 31024 22196 22909 15610630 13754226 14118196 2-hydroxy-3-carboxy-4_5-cyclopropylhex-5-enoate 493585 529190 290052 313669 194594 171700 235455 280399 176343 241716 148806 284447 305969 251285 372007 264428 275790 229370 276072 165529 165324 217629 114173 185786 124064 102614 92651 132159 264287 396545 2-hydroxy-4-methylthiobutanoate 2-Hydroxy-4-(methylthio)butanoic acid 858520 772245 907552 2423425 1521131 1747691 616789 778814 601775 601602 1423066 1467678 1280587 1317847 1087720 1752350 2426456 1347067 1281924 1024889 895921 2-Isopropylmaleate Isopropylmaleate 3155194 3572802 2115924 3361482 1502301 2102159 1809704 2036943 2212070 2395275 3028506 2776194 2264801 2691438 3099847 1886992 1999087 2048443 2224436 1644176 1786390 2164330 1662874 1712097 214186 240030 225771 2380278 2899692 2703070 2-Isopropylmaleate_1 Isopropylmaleate 420382 412502 337654 295492 216118 197756 177567 246211 195357 219754 169157 178793 240648 215164 231818 177260 198536 225862 178686 193514 260087 180119 193260 152275 220984 238157 279184 282643 262171 250574 2-Isopropylmaleate_2 Isopropylmaleate 758104 775655 572762 536833 407053 363864 317171 411174 416151 354741 445465 358605 390112 389286 399133 424327 413377 354794 357593 332682 435591 364153 346412 364582 239942 219043 227898 612680 516143 413791 2-Methyl-4-propyl-1_3-oxathiane 2-Methyl-4-propyl-1,3-oxathiane 642007 558395 496283 443186 296656 229459 279749 349741 266996 326174 244994 227704 283938 291840 333981 344232 290921 321443 345287 261175 313784 279802 278236 248105 342078 383016 364921 419111 395630 396405 2-Octenedioicacid 2-Octenedioic acid 4271250 3602782 3186918 3723357 1897775 2891900 2218987 2156026 2434950 2960169 3344288 2918979 2696407 2593661 4559329 2889960 2286492 2445971 3140030 2122187 2441381 2339571 2789808 2490569 198645 172396 186624 2178145 3181274 3894685 2-Octenedioicacid_1 2-Octenedioic acid 853855 591828 571297 503395 278181 282242 224611 378281 324992 231512 246208 235406 251151 321156 331828 243198 230743 229973 273211 279699 255223 239818 254407 177192 204767 197243 200068 335017 352212 416777 2-Octenedioicacid_2 2-Octenedioic acid 287665 422224 310093 227879 165100 198965 191667 187367 198617 214163 192356 178351 254741 158786 226140 179483 183116 187896 185517 151011 231246 152916 150514 151355 221363 221510 198802 299395 294128 224289 2-oxo-5-chloro-4-pentenoate 156368 29966 69932 39236 264300 163829 200600 185215 140613 196439 181853 176494 30985 51611 54021 51141 40336 87943 57891 237616 178677 223392 225538 614053 747507 700584 2-oxo-8-methylthiooctanoate 42092 24905 46032 75393 132583 81449 135583 115156 61002 91498 96087 2-Oxoadipate Oxoadipic acid 89227 79051 84291 78628 192820 158521 215504 130812 58464 56018 53144 51457 165336 193998 228491 221671 74515 69907 92064 67490 57519 57534 40834 45254 28401 27979 31431 139243 117527 170774 2-Oxobutanoate 3-Methyl pyruvic acid 111637 121444 114369 135503 226424 79414 237006 163710 207969 287997 216507 263692 160973 155932 151301 128348 153886 168059 232873 172976 182538 149496 237689 224135 40784 66125 61284 241632 235921 239491 2-Oxobutanoate_2 3-Methyl pyruvic acid 155395 156327 166391 167501 334462 209760 335268 229580 310964 394691 342248 350650 578890 520758 562730 639881 426030 407078 407676 352258 275278 284345 264751 271605 52466 59075 62124 441375 440106 491683 2-Oxobutanoate_3 3-Methyl pyruvic acid 115876 93139 76318 60425 154511 74987 170072 100363 87002 98024 113725 65855 245900 267476 295320 316010 102968 144584 158668 129007 72570 87443 94767 97523 50579 59510 54982 113564 154330 181081 2-Oxoglutarate 2-Oxoglutaric acid 589764 513921 466106 899525 2843376 480811 2862639 1804503 2672897 3932788 2689680 3235207 1683402 1560733 1416229 1090898 1639565 2046179 2649434 2083374 2220157 1696937 2791958 2768208 32067 29323 28645 2755288 2695503 2792296 2-oxopropane sulfonate 133335 158798 120688 114665 79222 68016 67395 81390 69118 76837 66938 69035 80139 79700 78728 68318 79247 74253 73577 75518 81034 71553 66771 59961 76953 87423 85418 95239 86173 90410 (2R_3S_6S)-2_6-diamino-3-hydroxy-diaminopimelate 44820 57030 90489 95965 109244 95882 126315 87618 145566 163622 152296 163035 85377 104240 87015 85216 79568 76689 72281 81323 141849 113793 122109 92478 149743 132426 144341 (2S)-2-Isopropylmalate 2-Isopropylmalic acid 72619 249106 175592 225427 (2S_4S)-Monatin 142155 191108 201776 139931 85810 150227 133140 115940 130644 249931 132641 123118 100602 139144 105169 91447 150559 189202 197934 186775 182769 164568 92815 166728 179873 193601 187999 (2S_4S)-Monatin_1 78139 157494 168789 160924 47955 112918 97388 80293 24683 83465 85354 74251 76492 99219 68332 51721 51526 69510 57961 89286 100176 96547 64234 99964 102358 127653 103936 2S-Hydroxytetradecanoic acid 2-Hydroxymyristic acid 291260 372372 271279 247728 190136 173696 143451 206527 178238 187100 146057 177681 228415 197522 174373 233448 169888 159639 182914 153199 182466 135858 179358 145575 217924 217651 181784 262907 293638 198974 2S-Hydroxytetradecanoic acid_1 2-Hydroxymyristic acid 749572 1015083 716974 652305 157821 183006 199614 398856 294606 202218 247588 231357 197175 214900 259698 202999 183836 145747 184763 161336 187623 230712 224066 153363 20349 19453 21325 260706 223780 275741 2-trans_6-trans-Farnesal (2-trans,6-trans)-Farnesal 594993 671597 461465 353649 140705 148838 128707 295066 143772 152712 164655 120848 140931 133664 204810 122148 162609 125544 117003 133388 181898 124872 125166 100327 83353 44654 44312 248668 264618 136649 3_3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3_4-dihydroxytetrahydrofuran-2-ylmethyl ester 34721 83138 91983 716749 565260 761258 576309 67153 67766 440248 392076 504662 377676 1342286 955694 1019974 1028284 42326 630970 558256 683171 3_3^-Thiobispropanoic acid 3,3'-Thiobispropanoic acid 33604 46607 51542 49326 58022 49975 76790 46438 129547 189515 147021 111663 49343 40446 39073 36213 234062 150486 181399 171376 200854 153625 128128 169091 173215 169231 151183 3_3^-Thiobispropanoic acid_2 3,3'-Thiobispropanoic acid 16046 61471 78147 75581 70789 15432 20775 23048 25158 122537 124020 119703 94599 163966 165194 155484 192860 89085 89482 91443 3_4-Dicaffeoyl-1_5-quinolactone 22495 14583 18719 20867 53111 49277 73577 78521 49241 45546 37401 51054 49530 50679 58100 45480 216069 197573 342849 238741 135746 117367 147559 3-(4-Hydroxyphenyl)pyruvate 4-Hydroxyphenylpyruvic acid 39037 47980 24490 45225 111818 24480 121218 63342 146958 214273 128259 110284 56330 66594 57154 42272 73544 108771 179601 115319 97492 109223 133058 168080 141697 123627 142219 3^_5^-Cyclic AMP 3',5' cyclic AMP 17652 29166 106674 71670 84322 61863 102912 136787 117419 151080 84406 86468 101648 93288 160989 170249 140054 143652 200759 124383 165399 153547 142509 154413 146454 3_5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 205628 214026 190916 157325 112615 95605 95985 117596 103146 103096 93700 86853 113891 95281 111345 91128 105107 106738 86760 99688 127136 111437 93410 75778 130263 117530 133747 134348 124777 132504 3^_5-Dihydroxy-3_4^_7-trimethoxyflavone 61505 86052 103696 62610 24097 42342 28466 49550 18807 28937 52994 26664 47517 41376 52415 66483 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 286323 303630 229052 236157 140559 164700 176364 170706 120826 169003 192127 163420 220557 169657 234588 147486 120671 128811 200387 145973 175952 147861 146814 129725 64069 66320 71650 242280 183138 237110 3^-Deaminofusarochromanone 415443 601884 685928 507395 173262 232618 215278 298914 206551 211570 250497 353009 251891 138220 163711 179026 244605 137915 178526 199808 142498 364164 287315 285403 3-Deoxy-D-manno-octulosonate 178332 157283 210507 3-Deoxy-D-manno-octulosonate_2 82935 64566 105745 68934 69359 67041 83083 59648 196904 185629 164720 184477 79803 86169 83520 3-Ethylmalate 1590795 1350058 1726294 1484385 3799926 3381106 3397089 3444630 3603997 4006268 3834357 4703592 830711 793084 900231 1019637 3413354 2726799 3448424 2430015 3836811 2833153 4048724 2861075 106943 79443 82030 10277070 9844870 10691979 3-Hydroxyanthranilate 3-Hydroxyanthranilic acid 260005 297778 215396 260929 127792 171453 110997 130163 158450 148047 118704 110264 188564 175611 183778 129938 122837 149595 141828 146034 160811 148288 96377 112133 166034 163912 193775 243680 185598 218277 3-Hydroxy-carbofuran 112930 64429 260798 215969 218986 188517 409472 413039 622344 561034 85427 237660 214617 223798 422952 353100 498391 460987 312640 322196 306453 406859 584590 471620 585491 3-Hydroxy-carbofuran_2 76574 250970 200361 286347 246739 287143 422084 362410 339803 182938 262907 263676 139896 455141 439954 662092 314451 306356 365627 333681 231517 346404 417174 387062 3-Hydroxy-cis-5-tetradecenoylcarnitine CAR 14:1;OH 790322 573450 487351 431317 115025 223282 120181 167205 241688 294673 214354 176693 169283 145688 157319 128772 259114 199304 211180 219450 216190 269972 3-Hydroxyhexobarbital 48743 72081 92726 60023 76832 80221 89193 82059 77473 89084 66796 91136 63983 73466 76316 65111 73680 61514 67323 81961 112751 83666 84622 86191 91404 118098 108096 3-Hydroxy-palmitic acid methyl ester Cyclopamine 408627 401273 255396 257174 150710 237674 155713 157222 184827 189948 136450 154570 222948 220673 169977 156751 155017 180461 147945 157628 185308 127160 169385 148609 172616 192276 199038 262358 227187 192131 3-Hydroxy-palmitic acid methyl ester_1 Cyclopamine 1173495 821845 680413 434172 138643 145164 148447 298160 310679 222213 138830 153369 225306 285265 318005 195101 186090 239692 218906 208457 218954 214068 188924 192068 253554 339522 267481 3-Hydroxysebacicacid 3-Hydroxysebacic acid 326059 249378 179840 140882 110009 118721 43861 85743 85248 120482 121936 137169 94488 113476 139348 128413 98906 72972 105944 124984 88109 85275 160834 80897 22048 22721 22290 204052 125712 140775 3-Methoxy-4-hydroxyphenylglycolaldehyde 3-Methoxy-4-hydroxyphenylglycolaldehyde 1879514 1286546 1305346 1177799 7818475 6202309 5555059 4615071 4054619 4168547 3351197 3849283 4465515 4480579 4306754 4504155 2358867 2056823 1950040 1398978 902844 666233 861770 571176 9811786 8492661 8047812 3-Methoxy-4-hydroxyphenylglycolaldehyde_2 3-Methoxy-4-hydroxyphenylglycolaldehyde 124813 91524 129393 106498 490552 374440 638247 356600 1516606 2343182 1952561 1819478 657408 644173 698326 641331 1504726 1590230 1665751 1487865 2342834 2335654 2524497 2721562 1664216 1780655 1652436 3-Methyl-2-oxobutanoic acid Ketoisovaleric acid 241252 359782 134446 260991 273780 217747 512334 352962 229487 324830 388282 400833 343824 237134 300632 194771 205585 221007 334840 220110 202489 271080 252336 235290 92856 71385 69028 396466 399588 286180 3-Methyl-2-oxobutanoic acid_1 Ketoisovaleric acid 350343 344655 223920 137278 177410 287306 219900 438388 270259 222934 175720 190724 109010 97186 132575 98154 90688 88405 108734 124334 210042 146750 228242 244588 87234 73813 70249 471923 508812 294010 3-(Methylthio)propionic acid 3-Methyl-thiopropionic acid 121280 168093 122428 81032 107868 94054 101160 114541 93085 100116 76228 90464 80456 98308 91219 81686 95146 142978 144623 105004 101929 99798 148232 104354 46897 42610 46571 114030 101275 128404 3-Oxododecanoic acid 3-Oxododecanoic acid 548232 644329 582163 37176 185484 181135 253384 147538 233397 176576 171610 1099215 223357 169043 48005 59974 110317 299782 78400 134183 155276 302144 26156 22092 25540 1022818 991143 933382 3-Oxododecanoic acid_1 3-Oxododecanoic acid 130045 159840 111456 145001 56839 68825 66998 87211 45996 82430 65602 43627 64524 64394 83361 56796 41734 30995 39114 85726 77912 60355 56537 53621 81171 103793 95390 134865 81183 99395 3-Oxohexobarbital 3-Oxohexobarbital 85503 139617 128472 124981 85864 101355 121331 114870 114674 176574 153376 139674 117860 125168 105503 113851 160872 144892 154474 153933 149926 129191 115076 135446 176884 162285 184090 (3S)-3-Carboxy-3-hydroxypropanoyl-CoA 136086 150627 152647 87697 55118 41133 29234 24537 281987 145293 155670 146994 133358 91980 89851 (3S_5R)-carbapenam 52498 51451 62318 56933 85206 86579 95785 67953 183318 184363 193322 243346 266808 279747 331207 324023 480138 393505 472340 290132 428229 403629 523269 382848 22210 20566 19055 316633 349430 417093 3-sulfopropanoate 20124 17887 17622 26079 59127 47383 46103 37764 39393 54811 44724 44594 56413 53370 71442 58978 53832 58484 53458 39672 55837 33722 38166 53446 9018 9785 10999 98435 117346 101770 3-ureidoacrylate 140636 166693 142632 131357 75645 78516 74454 93304 76546 77401 77404 76805 78029 90059 100310 85858 73543 80502 80745 72971 79567 80531 66898 63390 92759 98386 125414 101427 104190 117873 4-8dimethylnonanoylcarnitine 462774 153632 166211 177878 228603 463906 365602 278947 277753 186028 270139 374519 218237 215704 232084 261831 271132 342328 379799 463847 435510 468099 408369 405631 4-Aminobutanoate gamma-Aminobutyric acid 199493 319706 270632 359866 187377 203280 191399 227839 160462 218698 212650 269404 243035 239409 250168 254768 197735 222488 204900 218712 198484 198737 227714 317276 48035 95016 95065 237048 259504 348776 4^-Demethyldeoxypodophyllotoxin 311674 199778 298897 214431 159775 97125 176416 193329 47112 88256 98578 69348 95485 116325 97572 4-Hydroxy-3-nitrosobenzamide 4-Hydroxy-3-nitrosobenzamide 362942 393179 281714 284361 166235 159338 160948 204569 187326 181930 156214 157740 200700 181021 182628 187317 165002 166206 167464 161930 172847 143568 142389 142894 219660 211753 202931 243024 231759 200149 4-Hydroxy-4-methylglutamate (2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid 50848 55273 77107 73000 382870 283237 266469 290436 51967 73275 62344 63545 32848 68473 74042 70498 20592 20693 39883 14429 32687 32173 26615 33254 123548 115726 113915 4-Hydroxy-4-methylglutamate_2 (2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid 68499 58523 69928 502038 235889 473986 226968 380982 270375 385315 382947 459672 368403 450890 514722 535287 685259 654828 551431 414580 307621 426893 333243 409226 419998 531652 4-Hydroxycinnamyl alcohol 4-D-glucoside 170862 135482 111557 110889 82045 79324 67587 84362 87008 71232 89701 76414 74153 62896 79183 65472 57940 63104 74876 67731 83477 63001 95723 73403 39665 27358 31882 146968 113071 128064 4-Hydroxyphenylacetaldehyde 4-Hydroxyphenylacetaldehyde 4037000 4139768 3074256 1719646 1409403 1757899 1390612 2252301 1455410 2554454 1897756 2275846 1523812 1501834 1967737 1026252 1502097 1805455 1713845 1678588 1589293 1555976 2814075 1640890 27871 21782 24696 2770032 1585455 1610717 4-Hydroxyphenylacetate 4-Hydroxyphenyl acetate 139605 83003 61531 53582 54344 61553 68790 64940 93769 137142 115472 132356 57970 74673 75011 73934 116292 110221 114451 136712 167578 160010 153064 164644 41224 24834 26901 149788 109251 151009 4-Hydroxyphenylacetylglycine Hydroxyphenylacetylglycine 33407 50210 30297 32692 39045 77142 44124 30153 43919 37273 56121 41602 51187 129999 65759 57281 43979 78100 107135 52685 51195 132033 66250 54466 98493 128156 4-Imidazolone-5-acetate 235589 260078 173953 317184 102580 185709 113877 152362 165921 139665 167594 170371 153590 142993 201163 145809 153816 112151 175909 109041 152105 135486 104755 134436 35630 30602 33230 170445 261006 185628 4-Imidazolone-5-acetate_1 171604 176238 162612 135947 75339 87984 86381 104445 89935 84478 73657 87022 102088 93252 97187 88726 82620 76672 81039 78706 85222 71622 76309 86725 97037 100944 118369 102637 123992 104948 4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 38721 50869 43663 32286 65251 33633 58894 43057 48803 63054 49374 39949 36851 20216 22032 18214 110015 72824 75398 60540 92484 52607 49191 73808 15714 13923 16372 72910 73813 72423 4-Methyl-2-oxopentanoate Ketoleucine 730868 676216 320411 663838 1579117 395640 1134843 1016452 799155 761055 793464 849041 797605 1172205 703529 605924 539021 603086 1112825 829944 478961 430826 735246 662278 101884 111158 103718 1253277 892535 723560 4-Methyldibenzothiophene 793704 956996 751068 716133 998051 921837 984449 1029402 596235 710473 621150 609681 1152783 1156862 1162129 1112346 699046 671903 985758 570754 416966 462449 512305 449621 978473 1019991 1042427 4-Methylene-L-glutamate 49110 45222 63838 51643 128005 130264 105173 140410 32435 41974 46354 38238 103864 150627 155745 173473 36933 44974 38848 37326 38507 43900 36666 49220 21816 23606 22024 90962 109985 92070 4-Methylene-L-glutamine 4-Methylene-glutamine 18349 14221 14685 19283 13135 17094 15702 93121 68880 100955 69347 14552 31422 23926 24551 52212 50416 48589 39522 100927 77226 57708 67683 67196 64129 62311 4-Oxoglutaramate 4-Oxoglutaramic acid 61565 69434 81502 70221 367205 307953 225811 252085 60659 79329 75535 76236 40702 75020 109935 89214 31771 27381 46486 22842 45843 43062 37691 39041 20655 19521 19512 126465 131828 124357 4-Oxoglutaramate_2 4-Oxoglutaramic acid 147407 137563 123550 129847 258917 190238 176979 175740 118514 148281 98932 123642 145561 169925 200959 256055 132549 144250 145876 126218 127469 107243 90852 107346 22917 19600 19591 188222 206075 194991 4-Pyridoxolactone 4-Pyridoxolactone 88274 89582 84800 114573 52742 65338 139496 68553 66785 79735 191787 82487 97160 152586 184541 74743 151031 136945 267247 166933 136632 228314 163986 214685 50386 47074 43018 186958 176977 185320 4-Toluenesulfonamide Toluene-4-sulfonamide 157574 180523 130989 120670 90637 85882 73527 100730 91768 86733 79983 75830 95481 92377 91428 89490 77479 78330 81708 85858 87544 72976 71236 80813 100257 112788 100979 101479 111943 102491 5_6-Dihydrothymine Dihydrothymine 118299 148624 112995 113705 60668 63496 67091 92709 80061 68369 63796 70996 78983 75442 84030 83309 64076 84271 80049 69881 66759 67063 70485 72312 82433 97424 88687 82248 106143 89717 5_6-Dihydrouracil Dihydrouracil 94547 149877 38458 75255 79383 84882 146463 38679 132829 40367 162660 213639 120911 98048 142515 88487 97026 79037 174119 84463 109800 113455 231493 157267 22069 20890 22234 210125 101910 145409 5_6-Dihydrouracil_2 Dihydrouracil 138092 115310 163816 165339 350385 449460 281150 318196 367326 351664 496691 392294 492410 495796 548600 548901 420526 477707 470663 407941 488560 513919 355816 541955 472892 523940 519818 5_6-Dihydrouracil_3 Dihydrouracil 132501 100780 175443 131237 371619 303724 441942 315464 349000 425811 418133 462631 350832 323561 381510 297123 371995 454846 362665 319605 462823 505936 443784 441631 17857 15221 17554 497884 463123 511769 5_6-Dihydrouracil_4 Dihydrouracil 58565 53529 44680 57412 123908 62348 121338 94088 85548 118317 104756 96984 80577 51970 79897 58322 132467 99267 136371 81760 160181 148979 139237 148856 16821 15695 19063 72094 137022 194843 5_6-Dihydrouracil_5 Dihydrouracil 468855 559298 382581 380951 201601 237812 248511 294589 230717 224488 221224 216699 244200 281834 310030 258079 204744 217859 257091 220188 221707 214919 226077 188757 242046 293714 333525 276811 327417 297075 5-Acetamidopentanoate 5-Acetamidovaleric acid 6714735 5069649 6803716 6546161 5839058 6993526 6042245 7858628 6342330 7508769 5592542 7725748 4329467 5894900 4968913 5151193 8881205 7770692 7250182 7249858 6380333 7394357 11073352 5817217 19937 24996 29415 7884885 7468608 4995773 5-Acetamidopentanoate_2 5-Acetamidovaleric acid 93159 124980 102321 148684 119968 84174 110848 155168 88839 94080 205516 109210 60355 75571 94527 97663 177559 123072 186819 97465 161262 105682 111372 104886 24997 28258 33330 108113 127218 252849 5-Aminolevulinate 5-Amino-levulinic acid 124537 105069 99038 88695 140236 156880 161186 174890 158074 127242 190196 206104 132373 126253 140377 157011 112518 108909 96913 96077 62192 127867 63608 135206 22347 23270 24522 124092 130956 265245 5-Hydroxyindoleacetate 5-Hydroxyindoleacetic acid 924216 624614 906579 527479 850176 744005 654489 882725 396368 435931 439856 509995 305749 620357 856996 720025 335785 289321 636766 216482 437192 344924 371478 348360 946793 477612 814037 5-Hydroxy-L-tryptophan 5-Hydroxy-tryptophan 48131 73131 68703 70044 69953 66622 73540 74493 105382 142245 88656 120588 82326 81690 145231 110838 101294 90533 120879 100746 125489 70060 78268 84914 101212 108277 107457 5-Hydroxypentanoate 5-Hydroxyvaleric acid 964546 805607 1211954 1001248 3767269 3756732 3344127 4447318 4581576 8018423 5267157 6624058 3630770 4224798 4495857 3459860 3845263 3854986 4238205 3509261 2611777 2785537 4198900 3272368 61196 60748 57802 3599426 4240674 4895935 5-Hydroxypyrazinamide 5-Hydroxypyrazinamide 121719 158505 136770 153860 69072 90944 81647 99418 75325 72908 67504 75183 78739 85994 95799 94698 70765 69061 78014 78252 65780 66245 68019 65891 87392 89209 98934 94926 101292 102450 5-Methoxytryptophan 5-Methoxytryptophan 1155032 1385947 1383937 1267205 1313311 1661135 1536437 2261880 1194619 2374315 1270558 1678939 2154730 2181954 2107726 1731723 1872113 1835953 1574945 1360975 1265271 1413371 1520496 1163359 1924211 1841668 2290257 5-methylthiopentanonitrile oxide 218013 215140 100282 155569 91286 117705 111050 109862 105388 163648 118962 141955 119757 133165 110615 105884 89034 105772 123369 97998 94127 114214 92442 94952 50255 38364 44767 130676 130629 150018 5-O-(1-Carboxyvinyl)-3-phosphoshikimate 424735 187579 198623 22161 76356 78931 76932 115514 172794 139687 203089 27729 32197 42058 118549 154790 184080 (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol 165190 175648 149697 135952 84026 94608 78184 102136 85369 89063 82699 79003 95324 83615 84728 95145 84044 79020 87219 78302 100926 76565 77643 79613 105555 100877 99161 107049 133234 118704 (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol_1 356734 445634 255705 252872 136330 162090 143086 202085 158189 206462 155037 143879 172497 191760 165279 173267 125681 153189 157608 173576 166759 136064 154936 140231 85191 82802 93518 167549 194710 221193 6_7-Dimethyl-8-(1-D-ribityl)lumazine 6,7-Dimethyl-8-(1-D-ribityl)lumazine 81125 68379 158695 146901 299310 315253 285944 296161 433039 603990 524313 406855 166551 180965 208597 217359 487730 565818 469065 490234 506802 512103 414963 498994 616584 573592 496956 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1_2-cyclic phosphate 90777 75678 84747 47226 112551 125387 129799 198536 65537 76694 74244 65868 88983 67827 78057 80802 134030 87223 132484 119289 189951 179289 194889 6-endo-Hydroxycineole 6-endo-Hydroxycineole 358459 510813 279947 243781 58884 103557 96926 236975 110702 125247 132457 175347 93034 101282 56873 74487 90803 105966 63551 90227 71601 91002 121014 14761 241787 261062 204600 6-Hydroxy-6a_12a-dehydro-alpha-toxicarol 454906 482105 695012 949024 1679007 1480085 1644972 1898455 495858 613464 699218 715933 3075904 3977914 3885769 5261991 1101826 1490863 1810781 1871481 948661 1677918 2870578 1930068 1150007 2478520 3005512 6-Hydroxynicotinate 6-Hydroxynicotinic acid 149799 171162 168747 168354 222021 155945 219178 188523 206865 332837 237679 209087 336280 385065 445526 410209 513504 430526 425957 432116 227796 107858 164571 140195 49980 49676 21083 707057 531246 627802 6-Methoxy-3-(2-thiazolyl)-1H-indole 2805870 2422837 2682198 3273964 4009466 3376834 2765471 3704469 3517667 2238568 2805668 3227674 4606023 4232295 4944490 5145293 3748651 3036148 3265605 3156052 3208988 4018989 5007196 3624733 191797 188855 215803 6-methylthiohexylhydroximate 37570 63768 83193 108367 85602 86462 120961 132833 77742 130463 138058 250788 67236 118294 128798 145182 42216 51296 118639 72335 67898 80304 117513 134943 68040 136098 153871 6-Phospho-2-dehydro-D-gluconate 175295 105299 146967 72297 57966 55703 70438 65842 23451 31944 31917 18956 81296 95326 112887 8-Oxodeoxycoformycin 8-Oxodeoxycoformycin 78050 144752 155183 123418 42702 75384 74795 95997 73105 66247 60467 52176 72674 87752 64995 63262 60090 40839 73608 89084 70043 41973 67634 86864 92418 78407 (9S_10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate 162941 197565 235448 84347 69534 114179 297038 145544 182722 117254 136550 180548 254483 269658 238942 145302 153355 193109 172179 163822 93127 150236 121197 179129 207963 195232 acinetobactin 770136 288497 401141 684756 253515 290415 170389 279390 244052 307167 303253 357667 236011 482878 361542 288180 173352 178900 152837 177543 294355 166741 370425 386712 409309 Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer 122684 100167 119409 127514 260261 220933 265680 212405 178256 212316 169488 160543 264355 279841 337871 304596 395767 366775 367624 322054 224227 201899 211678 216558 319119 300223 285249 a Cysteine adduct 98798 80771 113396 102031 456238 549739 420713 598918 125252 149881 130664 133989 416281 464871 538644 597174 160282 173859 220890 189771 130566 146241 122501 157510 356894 363071 390772 Adenine Adenine 262440 440738 361227 400263 284025 270294 370840 406530 305028 272280 267394 265139 603827 454158 472271 463228 164186 205916 301928 276674 116310 236625 259763 248171 18387 126068 170612 254666 361640 415791 Adenine_2 Adenine 145315 220107 265201 275244 409020 371822 458000 416532 405495 508754 504907 505873 493235 521206 572501 552388 442983 498640 521601 466530 473269 427531 216099 480933 35543 135471 132187 486833 633004 761630 Adenine_3 Adenine 126553 273800 304932 444445 164534 307162 373215 469559 373397 383925 537335 203873 372468 553151 707398 660306 187329 372716 314086 214030 276662 144528 219871 186262 19876 130545 170612 220725 466811 316482 Adenine_4 Adenine 14856327 16368812 15357748 12449119 15295844 18099106 16356563 13891855 14634733 13230384 11554295 11477237 21913602 20659384 19066498 21675370 10127645 11006820 14260905 13795383 6819366 9627527 8988140 7787620 21541 113615 132782 15696585 15642728 16784213 ADP ADP 53277 69486 172075 131705 104117 91239 101302 104822 75671 99211 109525 83370 114951 109044 128051 107660 121202 121828 95437 89863 99536 94163 90669 98045 39897 47716 46442 147742 144141 142590 ADP_2 ADP 148454 118719 156305 167619 543093 347365 423409 292724 570471 493322 714125 596901 587589 563058 579537 532026 704135 716604 660244 517212 766776 605382 740162 747798 32341 27978 26253 943176 759653 779795 Ala-Ala-Ala-Arg 303956 189724 81708 170811 101786 58653 173051 207006 266521 288054 346148 517453 142821 124660 124468 108774 72496 78311 356513 156205 275817 178801 378562 203042 320092 181565 238360 Ala-Asn-Asp-Pro 46171 65347 72133 1050583 535770 745496 396987 388143 338142 356793 514804 598924 549832 614684 690758 279821 231822 214454 193622 253757 265780 313936 224109 440785 501892 553216 Ala-Asp-Cys-His 932331 389093 599068 272071 711214 651389 533736 519693 75730 88878 81859 56600 314903 262553 162379 Ala-Asp-Gly-Pro 111789 90971 144986 123911 348373 319291 357194 249676 122255 113943 122942 172275 377114 319476 333167 384704 527990 343765 476251 359236 318988 271467 283368 188969 391263 355728 324098 Ala-Asp-Gly-Pro_2 108267 90971 144986 322011 1504785 817792 686668 844108 811256 542416 797826 1039505 420592 607003 581916 734359 868385 928036 867203 606091 575910 978505 537944 923346 656159 1610644 2036730 Ala-Cys Ala-Cys 285912 353979 503627 572309 736184 781150 722983 818437 242751 257134 276783 344566 598657 572085 675907 739484 353373 382861 482594 360628 206676 193349 304818 249563 365846 497192 613919 Ala-Gln-Pro-Pro 17721 24192 26107 32120 30159 23122 16655 86416 92268 126920 93897 102283 120607 88207 106296 48222 62699 53186 Ala-Glu-Ala-Glu 47246 42639 136072 149725 83062 103665 60733 77898 87990 87267 57515 89171 85415 61091 56691 Ala-Glu-Cys-Ile 68798 54302 99644 157589 313072 232189 371768 244038 126206 96061 141628 Ala-Lys-Cys-His 52584 51050 50018 39469 76207 105237 88727 67197 88607 97317 83074 79211 68862 70415 71202 61135 93322 63793 73070 56493 88336 69458 70140 58513 120979 102762 91347 Ala-Lys-Phe-His 183538 155349 110304 82821 54215 39382 61681 90018 85039 65511 62996 133164 125765 117832 112910 93222 82822 92160 81552 106049 95617 114069 112263 164412 85582 90598 Ala-Met-Asn-Gln 145785 118420 131829 140290 Ala-Ser-Tyr-Arg 76979 37962 95517 38057 116799 120481 88829 51731 515478 322672 289079 273682 658242 644270 861101 783837 218812 311696 300999 280286 341396 346622 410483 Ala-Val-Gly-Pro 765372 679448 751949 462140 124757 230778 177066 291586 46677 72294 50898 107840 75417 38423 Allogibberic acid Allogibberic acid 850792 844398 773876 817764 592360 597195 650395 681804 594790 559178 592579 614767 715375 569852 653860 648514 555172 598771 671712 552307 616137 574913 559065 577428 12204 823253 785217 851500 Alloxan Alloxan 251595 244469 220648 230799 123885 156805 131219 171372 125306 128807 124748 95336 184357 118655 123386 119533 172206 66872 123253 100610 173887 114586 123070 97706 170541 156335 118180 142002 175291 178443 alpha-Irone alpha-Irone 1042062 1177825 1023407 876856 535029 533239 527411 667270 588791 606954 591474 515594 695380 555728 651738 637687 584790 562241 590386 561091 587482 518378 551479 522963 799411 735573 730511 860273 725681 814512 alpha-Irone_1 alpha-Irone 26108226 34302617 29581029 15050872 3348019 7997885 6137083 18472986 5040889 6399025 4378468 3946258 4703283 4299355 4553293 3104362 3548109 3918849 3598721 6067740 6438073 4557604 4111447 5813260 41881 35637 37484 8844987 6050341 5573766 alpha-N-Phenylacetyl-L-glutamine alpha-N-Phenylacetylglutamine 197454 88692 94521 98893 152425 119524 182456 105432 122367 207726 214433 239290 143446 217731 258686 120180 314716 263925 289180 261838 176446 279654 155299 174245 152672 217873 203697 alpha-Tocotrienol alpha-Tocotrienol 150960158 211899548 173105496 84499142 9071178 18062433 15143118 55051702 5760222 8817587 5198418 5878391 9100018 6880198 5197679 AMP AMP 76117 93287 131482 448109 272610 360210 232623 445536 372944 510745 400388 520276 676245 685100 640886 548220 542492 689895 410412 526868 387883 468279 486157 1838546 2293979 2237774 Anthragallol Anthragallol 24291 84127 101234 75124 94467 23406 29613 24077 18826 48590 105226 111208 107936 25396 20760 16830 19203 17866 14524 52062 74010 61650 Apigeninidin 107600 197374 130610 106797 48171 44494 57655 93972 24249 34574 27033 22158 25314 30472 41283 26208 54970 33369 46922 31606 25335 16594 14652 13455 43084 48594 50841 Arbutin Arbutin 26936 34658 36739 35881 73729 50751 66622 52255 58884 75564 61033 45910 55027 60497 56903 61349 92501 102036 102456 85271 85731 75241 55855 75665 5981 5155 88577 98860 92679 (-)-Arctigenin 1206433 1021497 1147180 1014103 1790277 1755691 1608531 1724715 546998 530031 478523 547173 1218232 1078002 1276057 1281866 952087 803263 778675 700246 612088 575061 689039 455852 1475129 1230146 1118343 Arg-Glu-Gln-Ile 186356 196436 210047 305823 213678 202548 176348 201277 87137 62797 68565 84116 180595 153490 164443 194275 79035 191611 173612 183342 Arg-Leu-Lys-Asp 915424 1194391 982977 2313237 1827076 1774552 1346309 1394814 1280570 1666684 1405741 2560870 2521975 2526947 2371518 3253988 2753783 2709925 3086111 2318600 3024644 2665083 3098339 2959271 2724268 3059002 3541498 Arg-Leu-Lys-Thr 2322183 2245586 1690610 1790003 982542 1119657 1034854 1332180 927930 1218848 1204769 1041045 1241454 1020756 1553131 1298530 1042959 1068207 1253622 1071896 1213873 877070 960585 954394 595222 581104 576736 1503481 1555388 1675896 Arg-Leu-Lys-Thr_2 4956595 5517390 4144735 4008061 2429080 2500430 2290222 2951746 2461275 2697075 2296608 2176717 2955713 2735430 2778827 2701942 2590999 2635603 2575217 2478963 2954555 2286824 2471621 2229849 3157130 3180138 2918772 3621029 3298585 3175602 Arg-Leu-Phe-Phe 1715953 1538532 1244824 662648 176278 218401 229249 699323 222025 222727 168720 131542 241722 214650 266868 223195 155516 151854 165394 223098 246378 178470 256730 212797 352708 217389 242312 Arg-Met-Arg-His 189685 62109 170149 123998 89873 98309 69743 33891 20170 170415 93992 50882 78670 291043 240404 75563 37322 195268 62043 184568 83953 185177 106846 214174 147870 247022 Arg-Met-Arg-His_1 1573663 1596041 1239179 672681 319916 317242 297307 998634 407649 278977 325126 293305 346166 344671 416627 347185 209775 194491 283323 304978 303541 300821 272221 330094 495438 459274 596651 Artemisin Artemisin 173060 191821 136234 42525 120521 79519 89206 97089 72253 81174 91266 73360 91814 76025 102863 85552 93380 72172 88816 94472 90988 108353 71339 60551 56685 47906 52538 97860 121825 112915 Artemisin_1 Artemisin 211109 200952 228559 191023 97326 107479 76701 114617 177295 77100 128601 81833 144105 96443 132299 119662 112072 149508 103858 78916 147649 105512 115342 109482 176107 123881 177672 210062 164657 192176 Ascorbalamic acid 59993 76596 94669 62357 20285 72846 54313 54109 60678 148715 143777 160972 Asn-Asp-Gln-Tyr 482175 1235220 530868 964505 812325 420168 742732 747256 334070 257345 786515 312075 616702 538658 639545 617072 269523 263615 382612 156731 116357 118608 113703 147146 366027 767481 846830 Asn-Gln-Gln-Pro 121591 126428 191924 179252 392588 318029 486778 376461 413395 406811 371434 470224 382301 364279 276430 271184 217113 197198 216522 271140 202407 249080 274938 229812 370850 446943 396781 Asn-Met-Phe-Val 96329 192291 347702 302248 211621 423686 307336 325390 273737 78885 37424 36838 301687 180979 417249 308262 910732 632111 444296 Asn-Phe-Tyr-Tyr 109448 114140 129884 174974 200982 205003 207172 217081 267705 272050 234968 213614 176495 166871 206028 180258 254274 289388 274884 211267 336282 211983 250283 234519 299427 358760 284516 Asn-Pro Asn-Pro 23209 23281 25975 24182 61475 75624 78630 80342 26570 27128 39109 32355 73999 82110 101500 75707 147364 120480 111761 140259 129931 147061 146123 Asn-Pro-Tyr-His 26045 16393 71243 33977 58792 32714 131065 79796 103988 124704 44303 36053 51343 22827 146570 63236 32350 Asn-Trp-Asp-Gly 91260 42282 135802 39482 112284 181896 103194 87796 57145 27194 50089 36028 167130 134430 157867 181403 96578 137536 99985 127255 182068 132196 132189 Aspartyl-L-proline Asp-Pro 113999 186346 191193 182950 109661 128443 135026 114293 124977 186401 137350 145682 114462 120379 112765 94150 145645 135375 160625 155051 233874 180620 170016 164484 14194 189783 197757 193476 Aspartyl-L-proline_1 Asp-Pro 80202 174275 190215 147847 64097 135481 97260 112009 45850 102944 65394 80940 99146 113839 67939 64245 42263 71028 45146 112136 107416 81883 88552 83834 118753 109431 118710 Asp-Asp-Gly-Tyr 142065 159443 114446 122914 62464 68967 56708 91645 72342 72886 65036 68200 74646 79712 94601 71045 77145 76525 79773 68112 83994 60989 81536 59537 75267 88478 77226 96501 86532 91293 Asp-Cys-Gly-His 73293 55401 89539 52295 22711 17171 103999 48931 60151 54970 57757 46248 46340 44537 69989 54480 49456 Asp-Cys-Pro-Ser 143538 43639 74947 61489 32124 40627 44014 52463 89649 86310 67332 29608 35903 87011 109777 Asp-Cys-Ser-His 102367 62595 63930 46569 630615 630948 677078 511359 105789 127035 95700 81604 554140 617453 702892 663114 95736 104435 114931 133964 71006 75393 115016 73052 478841 400024 307169 Asp-Gln-Pro-Pro 262047 350958 319381 284482 110542 123108 139883 116737 134600 124624 121250 162614 127931 143381 155222 Asp-Leu-Asp-Pro 70002 64934 48745 137036 81607 137885 184597 154041 99275 109044 77235 78899 68925 Asp-Leu-Met-Pro 76294 110803 144646 79300 25692 55248 51251 51216 46421 33174 35995 34613 56745 49056 31110 38298 40774 32644 63807 73826 36521 36746 41115 65240 61905 59843 Asp-Met-Gln-His 230795 106982 148010 320733 180881 195628 96294 87153 49232 33917 42898 68663 112124 185135 264003 177866 26344 44973 62329 35744 205732 186728 226421 Asp-Met-Met-Trp 67529 59036 66488 116430 162760 216153 138214 172333 46824 43669 44987 39362 219184 185397 175384 226015 167493 144029 155871 123205 91812 75885 88605 77208 167734 159983 148398 Asp-Pro-Ser Asp-Pro-Ser 208069 151574 313163 318726 608450 606474 606473 425930 308275 317335 361938 349311 386071 408167 412851 457131 368703 357285 509000 320664 483175 488081 583612 452567 568960 651987 629746 Asp-Thr-Ser-Ser 42606 39615 46436 101422 179968 111936 105514 103560 87936 128426 101810 40598 46001 35754 35202 172524 121932 82951 ATP ATP 66740 53720 53380 55106 109410 84361 82889 82095 70936 82651 96952 85851 116670 87583 100985 101706 105914 99696 77846 107631 106797 67683 77486 80219 25208 31401 34636 107117 138192 108220 Bakkenolide A Bakkenolide A 425122 373515 339426 249455 187741 199463 182941 237944 174669 183225 182210 189339 260987 213557 219038 238090 168796 179009 182489 172240 210669 198044 185246 170910 202866 212489 222142 320877 222507 214449 Benzoate Benzoic acid 4313384 4153968 4261809 2211161 1355253 1692004 1273582 2285321 1178484 1900358 1302250 1390064 2394471 1736638 2034956 1185870 1412274 1395007 1262600 1211205 1321668 1285966 1726673 1121255 89427 78448 71441 2061007 1646463 1850918 beta-Citryl-L-glutamic acid Beta-Citryl-glutamic acid 14552 16952 26383 49213 33047 46136 26274 65266 136584 94641 194090 57133 50488 49162 65954 60939 50685 104045 40067 125140 62269 89546 88542 113692 173491 204208 beta-Cymaropyranose beta-Cymaropyranose 65771 113031 126878 573066 674116 577718 1118086 104830 95352 253674 196010 106982 225649 873022 798811 797046 356475 637126 624829 408548 Bicozamycin Bicozamycin 275240 357066 436152 303040 379001 434313 342377 357578 245675 249117 206064 275061 357515 356932 492044 361420 216120 268427 354675 314526 301831 259663 401733 205845 362424 364223 325331 Bicuculline 235665 108705 166596 83931 151464 226117 254976 298984 40466 46156 51420 33841 73424 94054 86650 Brassicanal B 435450 509044 455941 415978 273032 264421 264978 291399 239639 271534 253629 237661 334772 280019 270406 258677 310633 264633 258784 233368 294925 224184 234040 217189 305302 298848 266997 375595 355896 390122 Butanoic acid Butyric acid 187168 178392 171238 164945 112824 112987 100733 110065 99486 87533 96247 92788 112615 119112 112238 96034 104121 116274 88917 100005 106061 99513 97944 97414 139267 149086 145599 117187 136770 133594 Butanoic acid_1 Butyric acid 275513 430697 328882 256537 191478 201552 198753 271848 285409 313355 254063 277967 169586 153777 235295 172954 204623 241943 263794 203422 303098 238377 318678 305177 43947 36796 39940 268549 282708 282096 Caffeic acid 3-sulfate 282842 288044 366297 455166 452229 540757 391131 567677 521310 393134 538211 524583 805647 722569 492179 804940 456604 612846 500282 581135 362001 641862 500611 576478 Calystegin B2 Calystegin B2 130042 154403 93970 222917 228405 181242 116697 99034 67135 84160 93952 38917 153286 152666 173656 98689 70524 99349 67151 68300 63158 70463 77486 14397 241837 182072 219718 Carbamoyl phosphate Carbamoylphosphate 11583409 12709396 11013287 10565185 7590506 6290663 5837010 7076089 5336292 709805 4775487 1536860 8123439 6548463 6395239 4723223 5713015 6628963 1298674 7163701 1034489 6411501 6529175 5035518 8204908 5763479 10228682 32796 24647 29763 Castanospermine Castanospermine 42503 61400 63752 57682 139980 106677 188977 110787 194191 226967 203666 166025 93746 117272 108118 123907 273578 277612 311465 288624 190365 158567 157459 186474 13619 15134 15128 184788 204907 217643 chelidamate 1054614 1191630 902746 791809 603363 522454 492613 572707 574585 607134 481470 456032 712983 558858 628572 541973 628918 543148 493935 465600 529420 488704 486568 505778 606975 769646 682827 827407 798037 932348 Chondroitin 6^-sulfate 24259 29604 25605 86625 74638 95197 61308 101707 94615 90305 74313 79366 35292 67881 67517 113168 100188 92593 110146 124377 103157 106629 85559 139176 102852 88401 Chorismate Chorismic acid 336180 222255 209523 233225 1338056 1093961 960811 814387 671235 711904 576035 633130 805308 801921 804786 801018 428278 335668 324102 245400 148222 106345 158729 97942 1926242 1619423 1481342 chromate 856674 1083514 863980 825262 448739 458973 418157 607064 522986 483774 469011 445774 527446 488277 569906 552729 437187 478895 474303 451175 507036 426769 449991 421385 557704 713769 711189 634019 627887 632530 Chrysosplenetin Chrysosplenetin 99092 69940 96410 106552 160516 140475 124374 119380 35068 44233 32321 117571 113798 123237 113557 70528 55754 67557 48870 119692 129474 113743 cis-Aconitate cis-Aconitic acid 118003 101573 129977 104652 71225 55649 63509 58448 50836 143061 57788 91758 83412 82815 93480 82769 75322 77361 89780 65270 105346 36805 52382 47105 531415 566680 658255 Citpressine I 91502 127095 110993 87313 242531 130083 195359 212156 35412 151640 154870 123881 87958 168163 123982 154767 142335 129807 201120 163187 Citrate Citric acid 151494 223510 178092 183897 128035 126094 108932 131246 126011 122923 117258 139954 229723 198608 201513 182935 118301 155127 142783 128369 115510 102956 117480 127468 78634 109871 103257 122174 168639 175297 Citrate_2 Citric acid 49632 53685 52272 103561 94413 100603 96019 163201 139608 104357 125935 113467 158066 131715 158521 134788 104266 121531 115706 131368 101702 114425 123466 130067 24787 26961 26073 141413 157444 146312 Citrate_3 Citric acid 383425 406486 396961 413113 363280 278683 292056 217166 318049 711504 307092 590980 643781 519575 561753 635080 403678 371039 632750 264465 561729 214909 259762 255005 109724 148798 129173 1069092 1224491 1157712 Citrate_4 Citric acid 493608 532389 473674 537795 492647 437630 461639 332290 523217 583177 465203 469059 692268 538562 536780 471913 673916 619394 566698 502969 629370 412322 473950 478966 188729 197165 165436 933554 786400 739992 Citrate_5 Citric acid 86065 96576 79132 106916 91840 74820 65222 81558 98813 62572 112662 77297 142263 60087 101907 62776 34298 63603 70390 65571 60571 93051 74732 82757 20430 26929 22598 57662 125000 102383 Clodronate 528788 678790 715239 482102 295288 352668 327437 277984 219016 149094 190553 246827 318818 278965 204140 310538 232670 314519 215806 252957 137597 261459 153743 192812 Coriandrone D 188276 99738 139359 105962 62614 80313 77888 72545 57745 89150 85182 81175 81200 82651 125533 78904 71735 66543 81642 61364 74239 70739 74692 62119 25420 19840 21506 95365 105785 120384 CPD0-1656 35464 30911 32047 54570 169446 142136 119570 156087 37530 43031 47010 43629 92785 136935 144513 159647 45743 89129 83046 53131 26394 23484 22755 20268 144051 188514 167821 Crocetin Crocetin 46707 37134 45437 51285 69074 49549 65189 50165 71515 67289 57962 51616 132254 123242 122501 112796 59472 81492 78163 55772 52392 44725 46352 34375 90418 104457 101010 Cyclic ADP-ribose Cyclic ADP-ribose 191902 166955 208023 314677 692554 433908 600302 358149 416957 506225 477700 439207 1055429 984661 1049886 1085275 807334 837841 914959 688614 455747 432600 363122 393167 815388 928384 991425 Cys-Cys-Pro-Pro 26813 17428 197836 231635 222703 123688 25853 18077 27068 20967 378310 233141 231699 230664 123573 81382 107868 62388 312431 206508 158069 Cytosine Cytosine 110496 138842 112222 113194 57927 65047 60155 82378 65224 63413 68063 68319 81306 88307 89961 85145 63543 67362 68888 68845 54594 57698 63243 65644 87355 82013 88266 84579 84267 86524 dAMP dAMP 122973 138958 165274 125807 275618 330077 255054 296337 120810 180968 164465 198533 308294 385933 437916 619610 192303 178250 198870 152235 140298 109387 101052 136606 289849 253284 295111 Danielone Danielone 191737 156046 142550 120678 71504 141103 62026 108755 141783 79528 72726 124145 59262 105662 110474 102576 100470 58159 121927 91290 143355 68816 110979 74088 33861 32460 30505 175761 105693 109460 D-Arabinonate Arabinonic acid 62817 64955 69898 65232 82245 63677 78241 74493 84874 140833 118033 134739 71118 87443 80117 84590 112482 133539 151944 150183 101598 157298 105998 144653 31873 31265 28381 109839 131571 175257 D-Arabinonate_2 Arabinonic acid 46198 71014 75660 53689 42167 44294 41929 48190 82099 129382 101853 83599 64023 56884 68572 62479 117506 137842 156104 105602 144163 109864 87822 138348 26741 26823 34257 386407 419243 478379 d-biotin d-sulfoxide 469931 976492 1223945 1115684 402158 1057700 693161 796011 215059 874361 467054 516216 689649 981295 658618 499281 396906 598174 367418 759649 758891 775263 520679 701494 666695 824913 546036 dCDP dCDP 17231 22857 30875 73474 47444 51145 28964 38121 31428 36966 33138 147430 140198 159740 181291 58597 63368 48510 46853 86568 58398 78172 65052 93636 93484 112766 Decanoic acid Capric acid 384970 359009 298769 293399 165002 226277 161665 223567 216726 220286 206960 212922 236647 203929 311880 195686 194295 198196 205325 183314 190052 204153 177471 206649 106658 96727 102469 214545 250887 330571 Decanoic acid_1 Capric acid 2089474 2479868 2696372 1404159 300190 446777 208943 399698 171024 197956 183742 197361 268703 328381 250234 278092 145484 121515 142860 153760 169223 112913 209631 132486 120488 103212 102757 376749 340313 380073 Decanoic acid_2 Capric acid 2413261 3409622 2579045 1758967 356715 427787 398561 590131 343235 509747 381567 403070 321260 313725 503824 312501 325048 290923 351094 389603 429461 428201 364102 463003 120488 105741 102853 670549 611939 671386 Decanoic acid_3 Capric acid 1102219 1228014 1003691 905696 530886 534391 542084 649845 564757 584177 609264 517991 615162 594857 634880 588012 559947 545762 548752 562314 624087 550974 504496 513507 695643 693708 653740 747215 756185 731539 De-O-methylsimmondsin 191630 286934 292026 178602 362530 212756 433384 312518 55932 281752 193761 420429 227901 1106207 589610 603645 Deoxyguanidinoproclavaminic acid Deoxyamidinoproclavaminic acid 41711 111323 67812 119734 74642 336876 435133 366305 277923 150781 122380 125262 138980 404206 327776 472402 292835 576344 440599 276751 432564 458264 477075 476634 Deoxymannojirimycin Deoxymannojirimycin 125264 104747 118777 98291 210821 170182 187766 177831 224799 218712 204060 262546 300907 292382 335956 321158 257053 235931 278833 192669 181336 148330 165790 167374 309633 292840 339464 Deoxyuridine Deoxyuridine 115413 133044 128469 134049 108222 102548 80615 101780 21374 24529 20116 18773 209269 178482 186190 178281 36120 31388 32281 50352 25422 22586 22494 18988 112752 103546 99334 Dephospho-CoA 3'-Dephospho-CoA 104664 73632 76159 112577 113590 96970 141566 102185 209559 153767 156787 143482 101044 59011 49889 65286 92070 108435 109542 155731 67118 92388 122439 139055 141943 147543 164015 D-Erythrose Erythrose 119936 141464 126143 92943 172627 105887 159389 107875 307471 431307 332224 231189 133168 134043 129160 133736 463087 445936 472682 414271 316466 344112 285278 308083 59447 48404 51976 331207 324440 349337 D-Erythrose_2 Erythrose 189629 174870 207997 225670 735026 599761 703396 519788 861258 1015299 894459 926402 434469 409072 456119 539506 746894 812064 747414 720888 577169 592054 571112 592428 66791 65840 69631 929834 946749 971866 desacetylmycothiol 105692 89779 106850 60902 659234 679366 683262 598120 68942 108679 102739 90603 797286 872945 832120 676025 693001 788860 755364 820981 448832 582373 683951 D-Glucarate Glucaric acid 12344 18577 17065 27495 23001 19527 22296 23264 41029 183981 89137 107883 22518 28027 24215 40332 62503 81724 263285 51821 115742 31388 21306 76279 10204 9129 8869 183567 260817 278043 D-Gluconic acid Gluconic acid 54405 59239 41661 41060 70611 55698 56297 47312 304469 343703 301298 226936 60509 65089 51401 48272 390697 323999 336819 238968 469526 326049 297353 315011 22658 22420 23720 702220 565831 544176 D-Gluconic acid_2 Gluconic acid 206280 150141 193119 350152 654896 456881 604384 425002 5963616 9215536 6779984 5935720 725962 598496 868022 690111 6328222 5458830 7218355 4522566 9193096 6561520 6675455 7594913 50014 40762 36934 21192497 26230857 30964668 D-Glucono-1_5-lactone Gluconolactone 123706 105324 107958 122176 510300 442852 496686 414392 319310 460749 377697 323396 247988 106103 117917 117695 898660 859797 984822 731615 592383 767561 507445 687685 27804 23178 21020 377840 500214 641207 D-Glucosamine Glucosamine 76196990 86130300 76568139 105896656 73982703 72816093 66736882 71990578 64207096 74110809 65619854 84432838 90757166 85475144 86904815 99328907 88848236 86780267 96478937 81720228 97491464 84168631 91396077 88588944 18216 17065 80978 105497465 109904476 117974863 D-Glucosamine 6-phosphate Glucosamine 6-phosphate 939195 815843 1138956 D-Glucose Glucose 214200 340774 402809 523083 997464 506019 987971 667265 5933276 7826278 6999382 5168752 809650 784029 868848 901964 12931201 11707835 13079699 8536546 11308025 8420418 6052296 9521555 55535 47772 50330 7945609 8533441 9564178 D-Glucose_2 Glucose 252404 261421 343131 424852 2051355 1004181 1813062 1174112 14508075 15103688 16311810 13841284 1099943 1482666 1586512 1972048 17694939 20141157 21171828 15899751 10964348 15957558 12831580 16397786 56779 49326 63325 7089461 12362807 15061783 D-Glucose 6-phosphate Glucose 6-phosphate 102746 71788 137945 176721 177302 137007 178987 105452 253571 367630 295382 399042 114984 96735 108506 119837 159735 147186 165030 143034 245732 214298 180597 227123 271203 264690 315447 D-Glucose 6-phosphate_2 Glucose 6-phosphate 39924 30339 44270 57400 111315 82081 89097 56337 165759 187141 167651 164235 148517 138668 160739 155409 151757 145546 152542 124021 95297 68878 62229 85568 207014 195104 187498 D-Glycerate Glyceric acid 77312 60243 70720 103381 31827 54944 36966 63901 93059 121285 117081 113026 44304 87445 89544 104153 96847 66840 82404 60452 95505 69034 76672 99950 13962 13708 13933 85344 97383 142616 D-glycero-L-galacto-Octulose 29991 42441 34331 26478 22394 30282 99133 129177 121748 85041 42257 46668 48766 Diacetyl Diacetyl 77013 159229 290127 243071 412628 228473 227818 209815 217162 70223 77852 80046 52991 60869 61663 39892 83458 212033 118074 244034 239578 30633 31493 25475 628100 456282 350332 dichlorochromopyrrolate 25103 41811 29318 77549 106061 80715 75996 55128 60991 56389 53493 79135 85411 66207 106617 64102 67221 62241 59167 54498 47092 44773 50288 53444 37926 39327 Diethyl 2-methyl-3-oxosuccinate 4-Heptenal diethyl acetal 223972 157168 149549 138340 77462 95492 117801 97501 103467 112323 87967 90066 94069 97108 89984 108602 95067 89600 83116 83949 105347 84128 105794 73262 64819 56470 54885 218899 142184 130270 Dihydro-4_4-dimethyl-2_3-Furandione 2-Dehydropantolactone 300032 218539 199004 291805 169834 198012 243828 223509 142894 247813 141423 110272 209320 282358 183060 217023 195051 163969 192997 154271 94286 163831 72171 118811 34735 34490 27325 205580 190115 298176 Dihydro-NAME Dihydro-NAME 18515 48190 127772 125837 145185 103307 38465 51242 48452 51272 205944 197996 230488 235766 153887 166812 178486 146733 91352 117830 178368 135445 122033 171573 206537 Dihydro-NAME_2 Dihydro-NAME 101026 118025 100723 133513 143552 128882 154593 125082 64972 75380 69627 66978 106528 91091 106575 dihydrothymidine 5,6-Dihydrothymidine 116579 167406 191804 233792 280608 171462 153879 187531 354157 162510 518387 309397 502895 329494 552339 466547 452468 291165 602750 345229 294687 dihydrothymidine_2 5,6-Dihydrothymidine 19055 23274 22739 21580 112840 60942 74290 81674 26992 24171 24278 22885 65029 49667 51426 52019 219856 173797 173028 153045 12176 111117 81891 67708 Dinoseb 2-(1-Methylpropyl)-4,6-dinitrophenol 440604 435313 353479 334196 227898 220846 198626 269174 202883 273886 241955 227525 202161 277642 255405 263134 231800 209777 207362 205154 318951 186785 207964 199671 262222 296972 276153 356861 315117 302264 di-trans_poly-cis-undecaprenyl phosphate 179814 224593 150024 151314 16186 69065 30241 70510 69540 12916 39138 11772 15559 16855 13905 74136 25488 21509 35712 10293 24848 17338 21480 Dodecanoic acid Lauric acid 13934281 15103614 11946050 11102159 6725487 6954971 6345124 7739990 7026937 7420805 6292650 6029503 8056871 7309288 6802385 7233365 6872292 7220475 6761197 6383963 8414901 6599273 6583119 5883489 8600856 8840708 8064532 9999302 10122709 8750045 Dodecanoic acid_1 Lauric acid 4420924 3474626 5235896 1781451 1168459 1229554 1371325 2171154 2573561 2689442 1931946 2157581 2179125 1533141 2148909 1600032 2020401 2113670 1757328 1854244 3286511 3275029 4418782 4421957 564317 290498 262945 3444744 3127865 2611034 D-Ribose 5-phosphate Ribose 5-phosphate 39221 24392 32431 53517 115482 111012 114934 70047 84383 109404 82531 124883 115963 129849 149988 155015 88136 67062 92307 72671 62538 56253 73411 58041 157516 181341 199025 D-Ribose 5-phosphate_2 Ribose 5-phosphate 298475 209873 314846 176936 334524 282453 267196 319653 435137 267933 326602 267839 245443 306819 387770 286644 245328 219614 266513 219185 663939 660677 831653 D-Sedoheptulose 7-phosphate D-Sedoheptulose 7-phosphate 68469 54241 91985 113670 346387 263586 284052 196644 229603 279501 246496 327473 375361 341901 372367 459477 350483 329880 339898 289397 146402 119739 149028 143847 358498 419234 440664 dTDP dTDP 103056 183918 374503 307847 331848 292502 435141 497029 493967 442739 548995 556850 614437 594689 359167 395942 423943 306233 462166 329489 369259 343431 1192262 1251245 1357381 dTDP-3-amino-2_3_6-trideoxy-D-threo-hexopyranos-4-ulose 505622 496039 653821 4507739 3130178 3958606 2603611 4970557 4370533 4918961 6386740 3075668 2563326 2332588 3146500 4971866 4186527 4913746 4264904 3037928 4242036 4458383 4480956 dTTP dTTP 15639 30038 55927 200520 116547 176608 79330 282202 234151 340437 335672 330440 280291 335717 340522 409233 433696 370621 303215 446711 298980 437042 383359 357840 488922 558571 Edifenphos 108989 70680 124326 61003 88065 72561 71315 77431 40909 44377 39771 46950 28528 17686 17341 71989 88880 144031 74398 180176 154988 135375 Elenaic acid 932895 863711 669468 774633 457127 563994 483605 539663 459318 658225 620226 605885 487552 545386 767899 574435 428399 442396 607899 443401 526515 496467 516980 484859 98274 74261 68930 588836 739793 851586 Elenaic acid_1 659852 600859 417198 372827 262420 380187 236359 253194 378584 281864 254019 273727 217912 287704 357573 316002 270305 245459 241801 284163 287578 222726 283154 213676 81360 78884 71640 459012 332758 297230 Epicatechin 3-O-(3-O-methylgallate) 53497 45113 60538 94182 388849 250275 253448 243960 81144 89968 73458 109432 226147 439931 529261 533448 118680 101943 193959 86972 194802 215314 306763 263896 243002 285643 370061 Epigallocatechin 5_3^_5^-trimethyl ether 3-O-gallate 22106 27459 17007 25991 16154 73303 81067 57972 60329 31608 31974 30948 40958 110169 97766 99261 77534 127937 119419 111896 105025 112426 85106 90769 Eruberin A 632061 435503 488317 275867 820733 1680489 1309582 2564098 1166184 1256381 998101 999924 174704 219608 193431 77604 127053 96412 111778 284655 1204990 768758 1347499 1243813 3002176 2451183 2124570 ethyl-2-methylacetoacetate 194181 221671 169801 142094 136710 143234 101967 116014 128421 160199 109831 164909 99328 140698 158357 146647 151203 114962 137968 131633 87897 110636 139295 111733 55992 66671 54374 162158 216064 187257 Ethyl isopropyl disulfide 57346 57072 57964 48698 78637 60561 93303 66534 49359 24613 26383 167216 132841 171965 135177 105076 61158 108139 65422 32967 52563 23449 18480 24575 28556 26291 79470 87322 102596 Eugenol methyl ether Methyleugenol 208849 173816 178326 206011 113631 91775 102288 140921 100246 130922 101148 127541 169241 131697 129020 104932 127328 100159 110733 107604 104393 112065 97995 86338 149948 110777 120940 172886 143408 206703 [FA (11:0/2:0)] Undecanedioic acid Undecanedioic acid 66444 74403 64013 45916 38174 43528 56166 49185 39929 34470 28391 48106 48781 44046 70250 60536 102126 79757 82854 82600 68662 51296 62775 55824 41888 31217 43438 67576 53664 82797 [FA (11:0)] undecanoic acid Undecylic acid 391385 547113 386729 358334 211041 210543 208714 248624 230254 231404 234341 207101 255388 252648 247477 236031 219809 252795 213176 227009 236091 228144 216356 211774 281821 252711 264478 315450 276814 292752 FA (12:1) Decenedioic acid Decenedioic acid 224880 286796 194894 265952 108125 253529 149236 202183 238939 269940 226008 269987 121633 221777 204412 198423 220053 118632 218608 124522 123735 96188 147513 173151 37478 36013 35678 135073 193697 312113 FA (14:1) tetradecenoic acid Tetradecenoic acid 1155956 923960 1551260 454570 348164 374970 412110 646898 791675 899870 662461 656776 667747 623816 898495 495834 612795 567240 549456 611372 1240052 1109018 1547699 1227322 1043725 992200 813478 FA(16:0) Palmitic acid 40929264 43563761 32726698 30787592 21635971 22696149 17906212 21411035 21697671 22369803 17958764 17078166 24101988 22641491 21295377 20922816 19770409 20427984 18800461 18280298 23718855 20204182 18925489 16054119 26943670 23302108 24635038 31346486 25894143 28191890 FA(16:0)_1 Palmitic acid 163218748 154027179 134811194 66992732 20257244 33595660 30069956 68010367 53522838 40054054 30124510 30621849 31489436 30288739 38229642 24268254 22794734 25312489 22782195 32082457 43197449 33187041 37867196 35521703 6853759 2580936 1989216 53614418 42586211 38956171 FA(16:1) Hexadecenoic acid 3767910 2776144 5205335 1615273 1002490 1352947 1730972 2369954 3694008 3383820 2566072 2461392 1749140 1899637 2636067 1657433 1513621 1706330 1538438 2576169 3446213 3454732 4381969 3807158 58896 38759 35471 3270582 2807352 2584324 FA (17:0) Margaric acid 1849798 1890765 1465546 1333187 959377 961384 733902 903789 889003 917122 704482 684179 1059727 902149 916426 931947 805625 883095 612475 840096 1029959 784513 792919 744810 1097923 983419 1076762 1255562 1135365 1197256 FA (17:0)_1 Margaric acid 40481580 56315009 37947807 27002893 3538642 5488971 5630172 11712429 3881439 3652364 2773777 2878685 2918264 3783983 4655982 2855174 2175109 2264733 2504323 3103557 2361863 1850452 2534509 2185627 116618 104162 120273 6036671 5215705 5075569 [FA (18:1)] 9Z-octadecenoic acid Oleic acid 710483 641111 578149 516545 419699 404501 302166 328213 356079 375065 332794 301684 481897 369910 385131 399493 335369 333838 364951 366854 336251 307841 308562 303790 417500 459687 417251 531915 428904 429663 [FA (18:1)] 9Z-octadecenoic acid_1 Oleic acid 34512799 30033249 31173387 17980728 5813925 8364952 8633949 19875665 17941812 18151743 14245238 14632583 8873690 9155379 12395359 8043081 7608772 9010405 8187181 12385696 18081744 15743225 20218785 17570363 279799 110211 94916 18116566 15289435 14280755 FA (19:1) Nonadecenoic acid 1911936 3184156 2364395 1583023 344400 488850 495868 1381334 514636 488929 411835 446517 390736 407019 499954 353796 374732 387938 499590 563508 606752 468158 496030 514774 688395 522473 549591 FA (20:0) Arachidic acid 59363984 84117605 72590349 39943400 15361231 35837257 25863231 89658277 7546810 11135144 7031861 7305975 3478872 4122827 5262378 2892092 2509661 2942127 3432691 4471764 5516231 3041029 4530735 3539523 76800 63707 74434 14897027 12779294 10273932 FA (20:1) Eicosenoic acid 9832179 12978456 10433513 7642059 1568363 2807376 1925396 7440461 698186 878173 513353 609604 750143 752079 1095055 661108 489650 425895 527807 698012 540231 295397 506962 353429 13652 1660143 1442307 1547230 [FA (21:2)] octadecenoic Acid Octadecenoic acid 1125521 2178263 1354868 808925 307696 791271 531902 976557 293387 401828 288793 361590 314326 302239 506325 233357 278899 257947 237449 357774 910921 507981 886636 574415 480340 426393 459293 FA (22:1) Docosenoic acid 1138872 1748297 1921627 921314 259830 609086 552357 1726923 442962 505851 273842 244180 164461 163689 266885 235069 212239 201668 426804 296002 289091 [FA (5:2)] 2_4-pentadienoic acid beta-Vinyl acrylic acid 80923 71883 138941 40369 83029 161260 132732 258836 142951 161068 120188 125256 84696 51087 54262 43015 79723 54093 33378 73195 144764 88592 178722 76196 46191 26499 21527 326784 192794 214094 [FA (7:0/2:0)] Heptanedioic acid Pimelic acid 1202513 997664 720206 1159577 697800 792198 514885 709922 719608 999829 1127733 909595 928252 780273 1177202 851308 938494 670734 827769 650296 601952 752652 727150 542672 95878 84697 78075 849247 860831 1045621 [FA (7:0/2:0)] Heptanedioic acid_1 Pimelic acid 119618 131303 104600 101939 94899 88103 96322 104585 89225 116651 124177 112369 97810 102591 99170 104586 117238 106706 120258 91290 129816 110335 96988 110215 68774 65748 64759 129798 111822 156205 [FA (7:0/2:0)] Heptanedioic acid_2 Pimelic acid 356778 279785 202505 193693 126371 173021 139126 190890 165716 162608 138864 182735 158730 151941 208036 192242 146311 171266 140988 143212 147922 116855 137174 174501 82567 78214 72918 209894 251176 195362 FA (8:0) octanoic acid Caprylic acid 721052 680534 483365 564416 322746 370604 426922 384765 325243 406482 387151 395663 420382 419504 524946 413005 373134 353606 404329 334095 329214 317307 329252 312322 157793 153649 130873 470186 475039 575916 FA (8:0) octanoic acid_1 Caprylic acid 1245843 1745444 2053884 665406 271364 422873 279404 776054 316265 483343 334604 291442 328837 382758 376972 291594 400275 275206 277275 350931 384580 322055 338067 340205 161053 147081 142997 526718 370033 460025 FA (8:0) octanoic acid_2 Caprylic acid 521279 453674 415117 362994 207060 211169 188057 289952 215352 266494 190434 185779 242991 297745 277627 238757 220152 241735 210752 202252 265282 263272 194595 196274 328620 292810 277343 293230 323376 280580 FA (8:1) octenal 2662767 3114199 3002216 2029021 637418 1022839 865175 1935058 957609 1036637 587008 691029 1987573 1049756 771947 501345 635910 855386 1150645 554033 700565 746689 758465 1116580 11223 3664374 3240210 2992012 [FA dimethyl(13:0)] 2_5-dimethyl-2E-tridecenoic acid 460559 558895 358857 147923 176324 178661 269161 306877 290523 323027 247937 212996 156609 273023 152508 162364 170056 200234 272277 329628 278937 390697 419140 14751 13648 317613 335068 334954 FA dimethyl(20:3) 1411235 1638356 1510239 1266209 389492 496089 554315 1442919 287758 377509 226608 221940 208125 214312 243417 124037 154301 171730 283306 335913 250533 205617 204826 236056 402947 393060 281043 FA hydroxy(10:0) 181233 123700 120422 150164 77724 123668 127138 77959 86320 127084 158797 150257 138701 104557 182566 150689 133558 102671 176832 100169 86548 95792 124441 98473 23180 20051 18451 119702 178201 219793 [FA hydroxy(11:2/11:2)] 2R_9R-dihydroxy-3S_4S_7S_8S-diepoxy-5E_10-undecadien-1-ol Depdecin 517528 354758 290715 371532 221307 275522 249005 244390 237354 388475 304147 321299 344814 312386 494294 348743 222439 237075 313847 240675 236564 315009 260226 263060 66306 61666 60620 259889 415191 480689 [FA hydroxy(11:2/11:2)] 2R_9R-dihydroxy-3S_4S_7S_8S-diepoxy-5E_10-undecadien-1-ol_2 Depdecin 161419 146291 153182 142314 61328 82417 68401 99722 73298 81872 67274 74956 85145 85511 109889 95949 69521 70834 63834 73299 84029 64007 76772 64778 58223 60481 57095 117492 87500 111282 FA hydroxy(15:0) 376755 397635 285779 275859 192516 169895 161422 186759 185180 174140 135736 147905 260892 194232 223051 174627 145244 191696 158702 139304 172471 142356 176310 153072 202269 205957 187763 235677 239935 233348 FA hydroxy(16:0)] hexadecanoic acid 1132582 1266225 894875 814409 554942 549230 481810 577002 600307 543616 467586 461057 564704 556035 577576 522615 493239 542983 474616 455494 596079 459769 458846 497931 618487 611145 675721 704082 663048 775934 FA hydroxy(16:0)] hexadecanoic acid_1 2580612 2668803 2141274 1673380 461932 464443 456680 823531 1596388 850902 759840 658327 895971 932300 1106223 624743 643989 671421 711235 799784 987093 811909 1111175 943268 39733 29633 29914 1260916 999401 907699 FA hydroxy(18:0) 1662014 2107652 1441978 1329136 273355 304236 321867 477913 439910 331933 341997 290894 449952 421787 688905 394097 408793 309794 404251 389416 352663 347510 464002 366161 15219 687752 550042 589078 FA hydroxy(18:0)_1 7000533 7977453 6399801 4878737 993239 1238723 1166669 2564730 1096680 1201009 859235 675896 1828466 1859090 2475590 1647287 1259094 1307712 1624697 1731723 1731718 1226911 1564225 1469004 30232 26762 24329 2106755 2059250 1697774 FA hydroxy(18:2) 982638 903893 941165 482778 195668 210796 210692 445713 309943 267627 264128 187491 346926 260258 410666 306392 253458 253760 254411 265850 241696 249251 354078 262889 15974 14708 423724 438404 384571 FA hydroxy(20:2) 4923607 7154559 5644994 4219219 713313 969314 1062949 2988288 623601 772162 674143 719064 913921 1048795 1518605 758654 762236 706390 880155 1130572 772632 617199 957057 771930 1507821 1117388 878247 FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone 381248 395095 370882 240698 1037894 938698 1000679 677654 1371127 1334928 1602803 1227954 338548 682450 533199 694455 1902324 1651728 1905792 1693147 1107426 1004279 1345860 1306291 29078 33452 32545 1966733 1366527 1266302 FA hydroxy(6:0) 163529 470708 484101 259427 336602 360693 550514 1593686 210818 471254 442233 282893 289438 379994 371358 269543 318564 396863 350500 400279 306092 245184 308029 251737 17706 21633 25487 270675 332399 395415 FA hydroxy(6:0)_2 211293 180634 147726 131214 503494 587086 582966 378787 340319 406886 635716 771265 294327 503956 801744 843449 348168 396863 656258 422380 237732 277633 320535 426973 25560 22787 25487 528417 758313 1065501 FA hydroxy(6:0)_3 1734942 935681 814606 761268 3204873 5433646 4561657 2059068 1844638 4525581 2687214 3158011 3608275 2859389 4648608 2886495 2704679 3736760 3001231 2537983 3088665 2203840 3283758 1633916 24969 22141 23832 4784183 3613422 3326040 FA hydroxy(8:0) hydroxy-octanoic acid Hydroxyoctanoic acid 266074 314653 245705 341281 156567 112235 53460 143201 233573 217603 171690 312505 216845 266708 179618 157549 188933 149168 173070 176585 119891 81793 129686 111785 26820 22257 18787 111142 202437 235483 FA hydroxy(8:0) hydroxy-octanoic acid_2 Hydroxyoctanoic acid 146278 101594 121972 96860 73329 51542 43512 78461 58531 57982 109700 72164 58207 64061 83309 87924 63947 59466 64356 79098 76639 62956 86908 53505 22737 20121 18826 177377 141746 138429 FA hydroxy(9:0) hydroxy-nonanoic acid 206815 238135 196394 256743 157371 168415 169995 205816 169902 294327 185830 228099 183044 180698 175947 226393 179760 130102 162358 126272 166528 166534 110924 173160 23411 20311 21171 88949 194965 184104 FA methyl(12:0) dodecanoic acid Lauric acid 152684 165385 133046 126924 81446 73387 68875 120270 86649 87656 84638 92790 91254 92761 120069 99867 73184 83916 87517 79062 145041 84250 100193 75199 53069 46115 45509 127744 101630 112695 FA methyl(12:0) dodecanoic acid_1 Lauric acid 1270295 1605043 1405003 822997 178914 234009 259250 368570 273557 281242 194854 251583 303245 281530 334885 294883 183479 171850 256177 250544 287045 260798 367649 365451 59845 52299 49698 523528 423047 329155 FA methyl(12:0) dodecanoic acid_2 Lauric acid 2024236 2322898 1756221 1655347 1016361 1162040 889088 1019140 998442 1200696 931517 840631 1081017 1203124 1104983 1097130 962658 1044927 935060 915466 1155651 1035251 929576 894075 1209263 1187447 1332526 1537197 1323823 1276359 FA methyl(14:0) 6000813 6319195 4468243 4745061 3074061 3285640 2429712 2997598 3040041 3336928 2551008 2500613 3259281 3354209 3166269 2734445 2693360 2930175 2791113 2720345 3131768 2642208 2683734 2368672 3322470 3298488 3615319 4438256 3582977 3700072 FA methyl(14:0)_1 62454293 81321432 68769288 43786127 7216236 10155457 9802371 19339501 8651343 9301095 6888484 7188538 7198705 8526077 10778281 7318769 4204344 4359149 4979002 6035973 6976564 5548795 8093555 5601710 178053 215816 284622 12451169 11641326 10152778 FA methyl(14:0) dodecanedioic acid Dodecanedioic acid 358098 302262 243697 192261 98924 185558 120122 131604 92774 113241 132972 179271 138972 173146 191123 191713 162293 95562 151580 110498 172867 178995 241343 128246 23104 18479 20003 322338 303206 214121 FA methyl(16:0)] tetradecanedioic acid 407217 637684 332186 372041 220192 276408 370815 364259 408349 418595 310133 368124 237428 353381 316047 196171 321060 406506 301180 288863 265952 407823 241283 21726 19654 17405 413801 443230 341040 FA methyl(16:1) 1071236 1346152 1154223 672556 236588 372035 474958 547227 823989 559495 514299 535270 401026 375882 619598 306782 336690 388114 380504 551542 665532 595459 797505 683146 26664 20050 21893 863924 620196 539846 FA methyl(18:0) 86110357 117753545 93820840 60251127 14809134 30498981 20919827 73357774 7656183 12413064 8580869 7228213 3105930 3390718 5094258 2900660 6318548 6545873 7382823 9828543 24961293 15540968 18422083 17415034 29277 57183 74174 20867156 16598472 14470466 FA methyl(6:0) 225683 200978 159675 174122 107369 152222 129084 116174 105666 143835 126542 124731 157283 117342 165189 141497 135760 117314 130946 109105 113881 97530 116056 89678 53266 45571 47690 138999 168291 164907 FA methyl(6:0)_1 567745 510983 461491 286139 161942 226512 186627 286686 158601 189991 167278 169756 174006 219353 236346 193237 167207 135144 182958 191033 207632 151899 146398 165701 56604 53715 48132 303236 206557 202790 FA methyl(6:0)_2 171271 218003 147956 143014 106192 93913 85939 132149 92928 100934 99581 87396 103702 94657 105791 92440 83443 97390 103308 94607 93068 74440 65485 75877 120257 114058 126463 190904 135146 129569 FA methyl(8:0) 535108 556158 403736 441730 254600 293732 252406 296302 305531 296550 290489 285169 332494 283853 375084 318881 302538 262782 313180 262231 291263 280044 312223 247638 166067 144370 146430 348244 373409 454941 FA methyl(8:0)_1 1711657 1891930 2060446 726065 322388 510174 392960 818462 444613 418529 398303 365581 441729 433781 559717 393182 384920 338463 383687 385780 461981 333913 379545 400867 173959 154242 154107 879592 869057 944732 FA methyl(8:0)_2 714681 751977 593627 576246 349226 327387 335863 436376 360167 342345 356049 316900 417942 354610 404799 365345 390825 352384 374126 356584 395011 332912 313792 352553 426764 441340 429941 510402 440737 497075 FA oxo(12:1) Traumatin 105135 139696 86074 95291 52941 48832 69229 63933 49757 70563 109167 89560 62955 71919 84450 50117 55400 68180 76055 41867 67607 65290 60655 39885 37399 26228 28888 82726 69753 81416 FA oxo(12:1)_1 Traumatin 752175 731661 629024 363139 120976 160649 152520 400513 170120 220332 141044 167409 148483 100771 177875 127239 113855 118192 125834 137690 176011 125294 147905 165095 41262 28585 28504 253086 208953 175513 FA oxo(16:0) 860011 992283 734819 722613 447842 463820 373143 511686 463000 477818 362389 491663 581386 479135 487490 476002 428046 422745 460083 414504 465818 388656 390452 414397 549192 533200 593350 674268 554354 580541 FA oxo(16:0)_1 1419379 1842677 1353155 710969 250029 328876 325397 738203 673688 528733 347247 329458 512920 505269 535633 346568 377980 354412 382224 418311 544518 454073 562909 475393 67444 44849 39354 829610 898261 701771 FA oxo(18:0) 1026245 1049558 857279 827028 626384 520363 414960 554358 551428 548597 519334 465088 483605 540430 568251 482469 454054 527829 594075 514273 610038 505081 548871 443168 607774 758486 669654 677640 636502 674953 FA oxo(19:0) 1647574 2052970 1523327 1296364 242902 245429 350214 220234 270984 296066 319441 464935 305562 240116 264312 267256 333178 297842 286196 334729 281271 14508 417484 425232 357341 [FA oxo(8:0)] 3-oxo-octanoic acid 899041 730881 498164 813254 474834 635804 542699 400601 428218 659087 808320 631417 615790 565995 956908 655047 467665 522172 730940 465799 493917 488625 609741 492881 74322 59198 58521 605578 648042 931067 [FA oxo(8:0)] 3-oxo-octanoic acid_2 298735 217934 170727 230283 142720 143224 163113 132044 149141 133936 126269 111621 148165 156579 165009 144878 142837 149839 88636 136703 177566 119766 113210 118388 169769 139654 160823 223685 181002 187357 [FA oxo(8:0)] 3-oxo-octanoic acid_3 258152 286037 230580 196415 180066 183601 143226 146498 229241 217372 214121 165350 135269 204735 190974 168122 207742 147180 152117 167475 158300 121146 154975 170911 60698 55190 51359 328979 260188 226906 [FA trihydroxy(4:0)] 2_3_4-trihydroxy-butanoic acid Threonic acid 470830 528177 600313 724116 1913032 1334500 1998526 1316130 2765496 4014317 3370873 3554623 2038407 1870159 2051699 2135944 4738060 4446452 5102777 3624402 4044531 3799345 3622070 3904456 65407 53855 57642 3848568 4329680 4226945 FMN FMN 167349 178470 218324 193075 224648 216698 231276 210125 274595 340845 318030 352150 290572 252639 285375 270785 212003 202484 250604 203812 245376 169931 209554 249003 320135 342467 356581 furaneol glucopyranoside 49886 56625 56047 55959 95288 65643 111840 68505 39367 74506 51233 65045 81256 100917 110347 157946 225741 238290 290199 225026 31893 18903 24736 120050 125477 174887 [Fv trihydroxy_methyl(9:1)] 8-Chloro-5_7_4^-trihydroxy-3-C-methylflavanone 12052 69218 312559 246125 273936 299106 256430 329419 289851 293649 310895 211890 283396 300669 358249 251823 303079 295293 282282 231131 249944 256196 414610 417455 409478 Gamma-Glutamylglutamine gamma-Glutamylglutamine 75309 48378 66673 35337 188491 170308 189511 181193 35823 40389 62072 54712 101204 95937 82582 73995 133830 73183 102710 123222 193863 212045 184349 gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 32490 86361 74899 93502 69819 94381 105341 123917 128002 104212 105873 90872 136374 123234 106720 99581 90498 116661 109965 108736 137270 27469 26221 39970 gamma-Glutamyl-S-methylcysteine sulfoxide 115999 128727 142658 246863 315286 282572 300427 313355 327351 456275 436641 615071 134338 131955 140669 138819 160653 162156 262707 126112 229374 174664 216702 242207 568488 586683 613984 Gamma-Glutamyltyrosine gamma-Glutamyltyrosine 27633 46357 30561 43746 28025 92976 111746 104473 109863 34184 32678 30607 29629 65089 46078 50699 42992 93327 64199 49844 64687 90784 122556 97247 Genipin Genipin 518287 381327 280549 284891 210730 249533 208243 232988 236034 287360 268485 184538 173093 245449 209974 272712 180462 175195 235210 180931 209935 161575 192041 187278 80776 70786 66518 384926 260802 238001 Gingerglycolipid B 28886 33411 437711 376001 361831 Gingerglycolipid C 518469 173770 297822 212257 67203 93816 89672 275538 117034 98515 86419 84320 118764 94212 80949 72881 75305 77345 74746 102212 120198 79579 85375 79937 166288 95323 81180 Glepidotin B Glepidotin B 297178 424485 577809 285932 256799 318491 262908 307047 439258 573421 469703 349232 250321 241283 249607 189627 412312 420120 460856 370322 294004 415205 267890 318655 336833 479933 543008 Gln-Leu-Lys-Tyr 23489 14184 29132 76853 109127 106734 96191 124001 76432 73619 78329 71559 119578 104288 129801 105078 86697 90268 93350 84319 85369 63789 70015 70150 189549 192197 162402 Glu-Ala-Asp Glu-Ala-Asp 20151 15271 16893 20238 83850 63361 78110 49575 23582 33811 19555 31986 103939 112316 119638 126754 47616 39179 56928 34215 22485 8830 14786 13673 126325 116262 123846 Glu-Ala-Ile Glu-Ala-Ile 85530 69166 79109 76173 175281 230098 178176 177425 62281 38005 41970 38469 106886 110170 78485 72343 124771 77579 99721 79803 105473 116928 126245 Glu-Ala-Val Glu-Ala-Val 34412 46338 44443 53896 200673 128226 187477 116919 408632 506641 456519 457274 128394 111449 109030 108298 300630 219878 208864 190926 356524 224042 233322 258261 328406 298852 270745 Glu-Asp-Met Glu-Asp-Met 31578 99970 87806 81199 60595 129522 144924 145068 167536 57962 51403 51685 46699 114008 100563 127769 89914 183249 118191 143819 150323 211615 199086 213570 Glu-Asp-Phe Glu-Asp-Phe 311450 371410 430364 223484 79825 53995 61794 65994 118549 200732 117920 81378 148928 142414 127785 77677 114515 92308 105458 167182 163883 128342 114067 84510 222680 140831 83678 Glu-Glu Glu-Glu 99563 94847 86581 111126 349023 313223 396807 304021 251304 253164 225786 202011 262094 272918 171102 287472 257301 253998 277370 Glu-Glu-Glu Glu-Glu-Glu 3474637 4320739 5512597 4710318 3230961 3687263 3357826 3494609 1441301 1922875 1398316 1320496 4377285 3750279 2483918 2940051 1795568 1170019 1455069 2007107 1748411 1530380 1735571 1387866 4017064 3279071 2943987 Glu-Gly-Phe Glu-Gly-Phe 93100 53907 92004 57838 138998 141585 132875 152801 44234 40992 90638 92103 87591 76525 85627 73802 65973 69359 133440 102390 117915 Glu-His-Thr Glu-His-Thr 67651 81160 68803 559403 1143203 712272 588992 579054 546720 296218 509171 515305 593793 626625 559481 793161 444162 448861 558329 298169 477151 515593 565830 625136 504472 756059 1253361 Glu-Ile-Ile Glu-Ile-Ile 376488 467052 434991 836714 581790 622994 590226 715931 758337 795122 694110 834490 427825 399389 419905 397314 745415 806607 743428 663455 834068 739003 619579 660934 1027496 971479 897924 Glu-Ile-Ser Glu-Ile-Ser 31817 33786 32647 27997 74373 46364 68550 44793 123156 134976 122836 156768 54790 61669 40699 49923 86308 68189 83221 63585 114464 74701 93795 87083 122498 95471 109818 Glu-Ile-Val Glu-Ile-Val 29023 43850 48837 81465 80906 62639 86506 71218 169688 210016 163409 188054 59490 65015 57476 48580 115180 95891 95850 86136 148108 102958 98132 118452 120829 129516 127591 Glu-Ile-Val_1 Glu-Ile-Val 138122 207106 299735 173031 65484 141468 126027 109983 28478 117686 55997 81726 101316 126042 88488 75479 67644 79235 58227 97913 133537 94014 68416 82867 99495 103632 114005 Glu-Met Glu-Met 88376 89466 115565 101395 164041 155075 201329 151427 499154 229498 174118 207091 112652 134762 147087 239425 222074 212531 209085 218584 274740 183255 211730 219082 253202 271636 233845 Glu-Met-Met-Met 49498 219171 166879 167620 151521 52430 67422 46869 85607 109265 92622 109397 121133 86523 61375 76376 61702 132049 175851 205347 Glu-Met-Val Glu-Met-Val 75667 76922 88121 55531 178244 180135 170992 198037 120696 140220 112902 139988 105930 123679 133306 124898 135805 123772 131225 122903 162426 109461 137939 118881 188466 162799 161081 Glu-Ser-Val Glu-Ser-Val 28148 28687 50594 44598 32843 35280 39509 34297 62238 91372 77805 94625 33571 32034 30124 30328 63035 42515 41288 33897 111349 62586 66320 76070 78739 83488 97523 Glu-Ser-Val_2 Glu-Ser-Val 32843 46883 39509 128916 108684 87745 99250 35352 74588 65220 93515 75775 47832 133161 87650 38269 50657 84794 108965 92997 Glu-Thr Glu-Thr 64977 67228 144994 110287 148000 109855 47903 120918 92121 96620 87767 214107 155384 180390 142285 170422 134654 142244 Glu-Thr-Thr Glu-Thr-Thr 62606 44087 73405 109908 1120722 618391 1050178 525934 354788 440676 448054 416243 632158 636397 629714 827006 1359184 1188861 1272380 900177 593627 575231 554490 660586 1081244 1008556 1100581 Glycerol Glycerol 209594 202612 152740 183468 129346 122692 155268 158614 218560 164114 167392 176819 272502 229963 234553 194425 136099 147935 146333 143868 180284 197175 245069 121232 90328 88600 85679 383774 332983 323221 Glycerol triundecanoate TG 11:0/11:0/11:0 2056796 2557242 2414900 1203338 393085 502622 558478 1135971 299277 438890 344445 390812 187930 288330 307057 228382 215467 206809 448270 416031 379656 Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 66006 29347 52327 30624 68699 44286 50643 51266 111586 119499 111491 123689 55557 52690 66798 40299 48712 46408 66433 58233 273183 348916 399520 Grayanotoxin I Grayanotoxin I 1472900 2158926 516266 282487 307771 466756 474288 716019 468178 508951 427646 210285 352200 554971 377575 396593 187943 286527 240050 429536 535598 221395 579078 467015 608159 497107 426186 Guanosine Guanosine 451509 517145 461039 510245 815392 582939 773971 639553 644450 708702 546240 561502 1120666 719318 587731 614517 484890 408346 601030 514527 235596 376236 301562 287374 727786 735859 900376 Heliamine Heliamine 146415 142442 102778 117265 35051 99330 25349 57178 98045 66278 57665 66830 82871 78455 60555 50633 61737 32636 29284 43013 111960 86421 63386 65750 93850 91791 96746 61123 61960 142945 Herbacetin 7-methyl ether 3-(2^^-(E)-feruloylglucoside) 1020675 484830 737091 369640 1005814 1307996 1340289 1668217 385319 270856 468517 582345 1039717 899819 1151824 636595 848481 815942 979101 1032025 Hexahydro-2^_4-dimethylspiro[1_3-dithiolo[4_5-c]furan-2_3^(2^H)-furan] 168822 146359 170212 210690 177917 178951 153848 157280 147268 127377 178481 153711 103485 362766 250204 235128 333780 Hexanoic acid Caproic acid 1789444 1130704 983514 1605694 850786 1190327 1093945 923459 766504 1087258 1391202 1325120 978565 1078383 2098904 1341443 1157730 881741 1447997 929916 1038876 869190 1077925 871857 104764 84761 73938 1010623 1407049 1822676 Hexanoic acid_1 Caproic acid 331851 255743 201922 217816 127123 128944 129808 135607 130125 142945 110171 103666 149513 129963 167554 143357 140604 106763 128228 114497 135366 101010 126157 134836 168164 156001 165946 214672 152946 148456 Hexanoic acid_2 Caproic acid 1537645 932386 935061 655150 336072 664218 383967 455543 360675 401823 376836 535285 335688 525759 429728 455915 406313 346359 383249 485661 424907 319960 470174 401829 98104 77790 76843 736580 658502 504836 His-Leu-Lys-Phe 718085 619029 522026 285269 99794 99066 122736 251386 128678 151622 117381 98133 141537 164097 163641 169017 85176 117169 92493 128654 120988 130671 189152 122461 191441 126460 132294 His-Lys-Phe-Val 3535593 2983935 2481186 1784908 548821 548779 592243 999496 777719 784743 699734 532628 837156 967243 919147 856194 495729 571477 551275 617271 776652 655514 889138 675703 1170306 743730 662587 His-Met-Thr-Trp 54426 30408 43881 32933 84770 96240 80422 61801 26653 41884 39742 41414 104257 90952 103987 85134 110352 50953 51501 81537 110033 114316 98196 homocapsaicin Homocapsaicin 2797042 3440403 3375632 2169028 1087161 1217882 1018026 1520011 460616 865178 488202 562629 551447 663420 666086 533113 472364 468364 473720 562823 356216 334559 525977 364310 1195891 1212351 964966 Homocysteinesulfinicacid Homocysteinesulfinic acid 158734 222678 175140 112842 96505 106811 90928 87622 187044 123764 159096 158222 186145 214985 135031 Homophytanicacid Homophytanic acid 13026648 16922741 14279781 8567549 3552122 7524655 5692361 17824425 3862950 5197353 4570214 4073480 1257508 1442516 2065629 1130219 1404602 1423823 1840495 2128738 14775792 6468526 12799383 9313925 16274 7136379 5991533 4432137 Hydantoin Hydantoin 217737 255416 201492 194731 97549 109601 127944 153023 121146 116585 112713 124023 120794 130054 147391 142894 103087 110682 129967 116708 111552 101861 114072 105811 134309 143077 149216 123651 170176 164544 Hydantoin-5-propionate Hydantoin-5-propionic acid 268895 273961 308239 316720 1042843 645245 579394 581893 527600 464072 459515 622655 405622 673937 884911 903566 364505 304125 673519 216270 617554 538701 614881 492328 712487 769002 688340 Hydantoin-5-propionate_2 Hydantoin-5-propionic acid 25768 23115 67587 41853 66173 44549 31717 42728 32811 29642 49719 86346 125550 108640 69619 53610 109247 52444 51104 53912 43668 51174 58862 77105 63063 Hydroxymethylphosphonate Hydroxymethylphosphonic acid 320376 317175 216964 710288 1172647 231553 1149931 722245 1543337 1692346 1368972 1268124 2652117 1558291 1060291 757113 439593 775001 1428047 1266344 642708 1178577 1139204 1019534 3376572 3254870 3424258 Hydroxypyruvate Hydroxypyruvic acid 2137853 2015001 2995429 2866968 9713467 8156664 10540014 7552726 2308825 2518890 2118429 2283603 2105905 2002469 1883195 2125445 8565073 10212779 10154676 10570069 1587951 1740914 1250760 1778390 188298 190724 178137 6544296 6406797 6657588 Ikarisoside A 146625 179815 106574 131274 139727 102757 138326 118699 130860 122276 105348 96814 157772 138727 117676 146682 76875 93573 106010 91610 56802 94080 83906 78989 147547 134857 162753 Ile-Ala-Ile Ile-Ala-Ile 500685 689204 699512 703289 242206 524436 285401 423125 107588 365729 256036 330293 242399 530775 279291 278800 144371 242675 161538 333356 514489 264968 236773 345269 377665 395732 411079 Ile-Ala-Ser Ile-Ala-Ser 683979 400939 555968 511888 350557 371584 256692 419594 331141 367596 471921 310309 526541 496054 558240 548795 366440 432229 500721 284504 393228 216286 349931 322011 143171 143916 136602 382210 299381 473649 Ile-Ala-Ser_2 Ile-Ala-Ser 1515224 1648622 1347631 1242276 724153 880037 732891 913715 719554 752513 799044 714706 992311 799468 925827 887891 667626 783351 750680 746539 794365 676468 734309 686444 931091 985160 867479 1071904 1330054 1137535 Ile-Ala-Thr Ile-Ala-Thr 66229 96825 124703 360571 97957 190217 231249 86790 123774 153382 86994 188043 208386 432604 259005 198642 144498 199338 141766 257991 275344 142731 246674 206956 128314 295948 323283 Ile-Gly-Phe Ile-Gly-Phe 54035 64709 76577 51117 38608 48082 45214 155336 101732 153127 138284 60342 55639 59704 Ile-Gly-Val Ile-Gly-Val 1020358 1114180 975674 936241 663190 591540 499212 660908 593305 574407 596917 530276 636793 546175 697678 580401 641573 602605 586995 560880 763997 608406 545256 509123 853958 715646 789805 744790 764898 765483 Ile-Gly-Val_2 Ile-Gly-Val 510687 637190 768559 510889 150264 430176 385197 233936 274855 218701 409602 482202 310797 257457 156050 253001 98133 348152 444086 210336 218514 310422 556114 423008 324319 Ile-Ile-Ser Ile-Ile-Ser 896720 635631 811554 430849 243956 715464 470983 261150 126774 521441 269356 325148 388430 438642 504204 251829 325308 351943 204255 450219 635357 452638 568832 352994 727605 489382 445829 Ile-Met-Met Ile-Met-Met 119045 130309 130978 87627 144470 132027 124183 157731 48595 57578 34191 108413 128040 98503 100836 126373 108923 136115 96609 155791 151041 130130 Ile-Met-Ser Ile-Met-Ser 1243467 1623453 2131465 817137 417064 1301347 1022209 932485 430362 958895 620200 829003 752195 1018699 674268 436286 603898 672250 394399 875493 1995430 1283592 1455041 897340 2130182 1192169 942897 Ile-Phe Ile-Phe 667914 615051 886825 564665 162299 497183 358461 528442 57615 311170 217555 162521 406546 493395 380730 304722 160352 179718 151391 494518 384883 270845 160707 325936 443537 348331 503187 Ile-Pro-Ser Ile-Pro-Ser 125556 181253 231348 170094 293278 406482 338010 568683 303374 176451 360096 709880 274065 345233 295407 241629 126399 108812 192245 163888 241973 273631 336804 277612 285695 363969 160940 Ile-Ser-Ser Ile-Ser-Ser 358617 287749 428894 384786 613959 695623 611576 546293 223976 213864 216684 302874 550815 486875 616655 554838 384827 338940 346100 261416 533774 436493 795110 442667 684697 683378 679268 Ile-Ser-Thr Ile-Ser-Thr 66353 95771 119414 80555 97622 146128 132382 151836 120544 134367 114881 237837 90977 101708 102235 82862 128151 88122 101042 128458 230578 139939 284410 138943 217119 235649 154109 Ile-Ser-Val Ile-Ser-Val 267835 386870 399848 871230 619623 840626 513069 382077 526141 662975 1017963 1811474 513423 753243 734060 599808 470571 559780 580036 597440 869677 823657 1083449 1156700 746606 1313646 1813722 Ile-Tyr-Val Ile-Tyr-Val 181459 200035 238514 201819 69180 133600 96784 134230 103026 81676 102190 100106 172666 105292 85127 54207 85297 77648 159637 154365 101930 66834 95167 153512 123658 135549 Ile-Val-Pro-Ser 486826 426505 371415 322690 188749 197713 192513 154110 50720 55294 310985 232833 264828 247419 110292 76614 112692 91753 141603 77307 191395 79219 214941 199972 119897 Imidazol-5-yl-pyruvate 1861605 1388531 1297825 2063466 1068204 1106037 976568 1074292 546881 839784 699670 664982 1750747 1732391 2046597 1463060 1262649 1141839 1167995 874998 885391 1025535 698323 975771 154488 176877 158756 1489437 1136440 1420202 Imidazole-4-acetaldehyde Imidazole-4-acetaldehyde 430744 561470 444543 453467 212014 247495 225487 291762 233367 237450 228511 239811 271537 280208 305663 253358 212270 239092 247551 241661 241416 217262 243218 229097 293753 307428 329866 337064 361462 312912 Imidazole-4-methanol Imidazole-4-methanol 126687 129841 95121 115387 56883 72616 66341 85858 62728 64295 74817 77598 71511 74699 83840 84916 60594 76223 80596 65199 87009 57683 66434 73253 26052 28890 26623 82735 99009 95270 Imidazole-4-methanol_2 Imidazole-4-methanol 211409 269898 227040 199651 102043 112393 113290 143733 124841 127188 107432 120704 122382 136551 157370 141989 103398 124318 135517 112085 121274 117594 103881 100857 148611 177921 146022 150662 158207 137289 Iminoaspartate Iminoaspartic acid 34547 44934 40787 53924 83443 78052 64979 70249 149799 119906 131613 189303 18003 23076 32305 26022 30170 26251 55769 22594 101882 95126 72367 75702 107163 99334 109704 Indan-1-ol Indan-1-ol 263676 297185 193916 215906 242877 435285 377175 724023 306034 374940 260790 264523 94196 100615 102759 67202 88423 72508 85440 147206 330442 211751 342778 327912 49259 42041 41738 831679 768522 708750 Indole-3-ethanol Tryptophanol 219685 191901 149208 150386 111968 109036 102559 109515 72027 111148 90606 115265 106741 120038 134913 95905 119210 89503 128889 123752 91974 79286 92901 75895 49803 44694 49343 130980 130241 150000 Indole-3-ethanol_2 Tryptophanol 1849810 1860659 1277470 1253521 873230 862599 853439 988274 888788 840725 715283 715598 1169689 838800 932583 809177 995503 827008 776406 797954 918537 814596 840178 706912 1152215 1210784 955844 1247355 1167083 1108919 Isoferulic acid 3-sulfate 3154590 3450422 3228719 2990425 3053070 2241590 1745527 2741411 2663290 1263191 2102050 2352674 3130314 2934224 2767278 3553977 2033708 2206326 2403628 2438617 1907128 2999978 3247974 2540438 Isovalerylglutamicacid 114409 65989 137889 106893 147995 189604 194605 122964 65700 84065 69432 84335 229774 222423 263902 205180 156925 210478 155272 201069 191330 222273 234752 Isradipine 90668 33346 63750 50069 76928 78496 86624 84817 25265 20991 19567 31306 92477 56474 126880 92236 851671 995263 1283567 Khellin Khellin 341517 446202 346516 322337 77501 111492 86420 137635 88705 73179 69699 L-2-Hydroxyphytanate 2094283 2708569 2302767 1437927 583487 1026701 932338 2030985 600409 588086 537742 508096 588496 681109 937176 667720 567699 588262 699159 822159 813825 456625 605240 464203 1289286 794719 852103 Lactucin Lactucin 170292 213543 71392 152141 73598 97284 84187 84275 77289 100822 73590 88502 93313 110663 121022 85543 82374 99079 93471 88614 90412 79863 69237 74528 50054 44285 51859 114691 105396 122500 L-Alanine Alanine 317509 363226 371620 570668 258604 264057 236282 359165 246210 270032 288836 311659 325347 319139 327054 393813 324229 300215 308377 316379 239954 325463 336878 313960 60446 130475 220579 279612 365724 474138 L-alpha-glutamyl-L-hydroxyproline 92067 328375 302860 375455 406230 378457 370021 92588 Lancerin Lancerin 59342 53626 65081 94586 124060 111088 110178 115471 27157 37228 27371 31982 89908 87072 92780 127544 45978 43451 60153 41769 90563 97923 120173 L-Arabitol L-Arabitol 454151 467514 365676 584660 272894 218635 247903 288051 250461 289372 277644 325988 209440 166475 170755 179007 91170 77564 104367 87476 66833 74913 81972 83371 256833 298026 301532 L-Aspartate 4-semialdehyde Aspartate-semialdehyde 3072109 2644300 3296543 2822554 6282248 6487217 5492748 6621557 1562447 1768577 1605962 2089353 3858901 3205822 3696441 3871043 2703804 2488578 2558435 2368429 1835606 1736029 2010816 1578271 31084 36212 34744 4069936 4310437 4080151 L-Aspartate 4-semialdehyde_2 Aspartate-semialdehyde 1610809 1530637 1621703 1657809 3054790 3484159 2903847 3475515 5183159 3718112 4782380 4993032 1552121 1364534 1522915 1765254 3965169 3903288 3630934 3243652 4629703 3984334 4341794 3724491 36117 33673 39329 4718022 4667483 4764213 Lathodoratin Lathodoratin 133735 283202 226480 217747 205760 229676 139204 172026 179437 211156 212727 175234 181953 220763 221108 190832 179830 163642 195972 138146 222845 133501 144456 160804 72662 63373 60484 209713 255051 257606 Latia luciferin Latia luciferin 856454 913422 961073 710202 412027 452839 482647 523362 414796 453921 463001 428102 512150 454608 548079 493327 446224 489676 481407 466244 527475 419544 456076 384245 530043 546893 560614 574634 663066 652827 L-beta-aspartyl-L-alanine beta-Aspartylalanine 55007 48466 76792 63237 406731 224769 293164 173847 434458 355255 421814 401392 507212 529738 566861 674178 209503 231132 235605 243867 370906 313127 353586 320170 261343 298806 324542 L-beta-aspartyl-L-asparticacid 20246 17312 22823 18641 28371 67532 33503 43557 13127 10636 12406 15202 28312 22744 57306 17935 69025 29535 21385 30356 110348 94215 122137 L-beta-aspartyl-L-glutamicacid 75208 85221 100866 145608 71229 131268 386552 606368 876877 L-beta-aspartyl-L-leucine 266906 318947 337052 360041 564964 436781 515372 388502 517492 672703 513526 637441 437792 568368 473840 637064 770109 619082 712055 615534 668914 581306 550252 638931 815529 748977 606251 L-beta-aspartyl-L-leucine_2 164172 226995 317916 344341 278362 251749 256863 278170 154354 193699 225723 239578 356103 464673 508982 550148 172018 171672 182320 209213 512507 259102 323697 381839 241796 319888 389818 L-Cysteate Cysteic acid 45583 55642 45029 38282 99556 51112 65392 53285 375612 249140 154826 228064 72576 67784 66178 Lepidine E 137180 141540 113243 122885 179585 167133 150799 187210 122210 111134 111609 113410 194227 208059 218858 227304 126096 111214 150354 94213 63941 85917 73577 68719 207756 156164 169222 L-erythro-4-Hydroxyglutamate 28756 33067 39728 45936 81730 50281 66399 49596 20241 16254 14031 121170 114348 140577 141322 26131 25171 23039 23557 15452 50074 61925 78952 L-erythro-4-Hydroxyglutamate_2 24908 38985 106419 79373 76050 51752 123047 90301 118547 99514 127403 129926 145163 174188 109819 105195 106394 86011 100064 78135 73695 69579 115619 136659 114777 Leucyl-leucyl-norleucine 841888 1055513 1031099 1116509 463174 563261 429357 528311 222273 62901 160301 934017 926085 1113724 995816 372687 360518 386275 444486 279465 172014 233097 186011 558366 597575 441567 L-gamma-glutamyl-L-isoleucine gamma-Glutamylisoleucine 86814 57826 83058 174041 142639 190652 142492 377617 559782 437862 458334 126251 140285 177922 133114 285470 188681 195731 197969 396014 260150 276194 256411 279763 282858 288194 L-Glutamine Glutamine 315953 300846 292044 333342 1241153 559093 1118147 528562 398448 366210 329710 276373 1364256 1443830 1372457 1665148 1028597 1119741 1036592 919366 257251 260242 289415 231109 15068 18476 20775 925893 997576 900921 L-Glutamine_2 Glutamine 133115 144445 179788 232692 1000874 417517 848434 480751 581636 583849 579617 401281 1510563 1489390 1652063 1804650 1673789 1866093 1757028 1465744 956704 926515 828965 898154 15068 15990 17767 1378832 1353410 1346976 L-Hypoglycin 244339 291995 288303 220052 161226 131929 132528 152546 172142 146866 149875 159726 148918 165196 162638 152843 146633 140560 114152 152555 144870 118432 136150 103176 97866 113246 111752 178963 196538 180391 L-Hypoglycin_1 212148 209416 161931 168640 99743 95573 78651 129260 138703 97887 138048 81369 100198 100767 119955 78224 80264 78845 73200 82955 106379 95918 103573 74780 41940 47296 43481 148243 116714 177403 Limonoate D-ring-lactone 130900 108950 103398 Linoleate Linoleic acid 10597897 10335223 12090558 6152629 2507877 3124929 3576297 7994074 9025817 9463457 7346146 6812423 4457579 4546407 6533458 4337948 3992988 4474353 4355718 6274907 9135269 8924268 12289362 10325202 193244 64383 52385 9105446 7708984 6372662 L-isoleucyl-L-proline Ile-Pro 584132 1212453 1424080 1620631 712662 1193291 1058216 1186240 762040 1146523 928188 1098563 974654 1374159 1156234 876227 930734 914197 851034 1260730 1147562 1041120 1068832 1309829 1104109 1145180 1449387 L-Leucine Leucine 31806161 34717062 39143293 40637328 53213264 51663082 49305219 51543933 21304062 26376130 21745611 22043050 48555851 48577486 52919217 55432842 38612585 34971759 36490388 31937254 25909910 22819485 22781318 22374576 207718 877311 863585 47413925 47488704 45381221 L-Octanoylcarnitine CAR 8:0 633554 527903 832435 386709 197867 151598 134861 191846 287929 255827 239845 225855 540785 314158 437035 272561 272656 286421 341166 208853 306086 404288 441638 525333 469003 467789 372099 L-Rhamnofuranose 45278 33782 35812 27772 67840 67186 68767 56308 68533 61397 65893 65748 36653 34595 35847 46859 33436 19836 37441 19941 69296 58216 77803 60394 21666 20966 18684 171997 169645 193303 L-Rhamnofuranose_2 51252 43937 52462 46068 67840 66452 68767 56308 105821 134493 122394 87309 100400 83883 88922 94825 194507 171533 163226 144231 153606 167450 132702 151181 22851 22566 19485 171541 170822 140179 L-Rhamnofuranose_3 64234 58980 52815 42895 123883 135179 147461 93396 189455 102494 125176 145376 36653 44544 48089 46859 51052 39027 50000 39454 135286 130601 180356 116172 23134 20966 20967 437683 452897 464187 L-seryl-AMP 46790 35634 38543 39012 62565 63641 64142 106829 25986 32198 27308 34572 30365 27573 33938 38094 55999 57363 54949 54135 68995 77078 82661 L-Threonine Threonine 207600 355847 213770 194770 229915 118903 159481 133406 63020 99007 61013 64725 199859 217652 173577 214557 160539 154940 178749 142902 100128 78139 108994 106293 57317 60931 64196 170570 130809 164548 L-Threonine_1 Threonine 221223 373440 254410 249032 71308 80387 98054 78801 55221 99007 59613 54934 149075 123036 134349 155608 84956 78391 101986 86719 86151 80017 70109 60187 56149 61192 64503 122067 104206 98171 L-Threonine_2 Threonine 54356 60068 56773 74976 147532 117443 113272 120141 141450 104711 117005 119827 160839 149096 174569 190164 186587 178407 207988 142083 158199 133339 142120 159652 19098 24492 28292 168053 165648 180594 L-Tryptophan Tryptophan 685733 871866 980969 897364 1052789 946488 1194816 1039731 1321616 2067232 1601310 1434179 890653 962068 957200 886936 1519591 1572619 1625907 1464511 1753069 1629603 1387328 1805788 1771086 1724815 1708998 L-Tyrosine methyl ester Methyl tyrosinate 338031 337252 278689 242899 120997 188702 151943 194346 169037 123489 166609 125941 154483 167618 195909 153461 135191 184451 192475 189937 180077 129698 135752 133126 237186 207853 219273 197969 292863 259303 Lupinisoflavone G 82715 47253 285707 236864 246457 294776 404946 315471 550749 668609 438429 302197 369074 236299 356788 249337 474505 257008 91893 64553 237263 527252 472626 Luteorin 7-(6^^^^-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside 401858 287631 389209 326409 225176 250876 191824 238261 220827 249748 213142 192340 286377 252131 245503 254296 216808 208781 251285 247179 254593 202467 211233 190686 277589 261382 290890 Lys-Lys-Lys-Trp 17973 42142 29707 54128 34209 66966 91939 84034 94348 44856 47436 47932 50947 124943 105859 116839 84898 113961 85788 95648 88678 101375 94297 105310 Lys-Lys-Trp-Pro 8486531 8110638 6074186 4001377 1058583 1198131 1307478 3432041 442237 1544206 1114272 971769 1430291 1593775 1625377 1391006 1019352 1083361 1015522 1411467 1477891 864737 1455598 1279423 2310912 1360630 1389008 Lys-Lys-Tyr-Tyr 1082549 1043560 702627 516741 203777 209523 207457 618617 199818 198380 213906 196289 148036 164834 280658 226143 158394 146748 142575 166517 176047 171399 136520 179083 310906 263077 349272 LysoPA(16:0) LPA 16:0 896995 604913 865280 416889 153332 258102 249958 688010 200420 205939 209202 176607 181187 170616 163422 152143 95758 147647 127113 161038 160545 136999 192435 146869 282829 217510 226675 LysoPE(0:0/14:0) LPE 0:0/14:0 808185 735631 612264 418692 111862 155316 128052 280136 167739 226316 181335 128094 213872 236509 250815 189601 136082 160107 176449 199976 205968 159949 226878 193916 312181 204195 179776 LysoPE(16:0) LPE 16:0 3840968 3851398 2960951 1782768 456197 606271 567865 1576742 587980 747339 542394 437437 693707 742426 722589 617930 240534 481095 501577 649015 753706 399597 710673 633967 1006140 617110 531577 LysoPE(16:1) LPE 16:1 747529 748809 555497 300598 96108 151170 97345 285258 170589 176656 131720 138000 141344 139578 144471 128472 99197 131537 111006 139815 159018 99250 167822 125533 228945 118510 149350 Lys-Phe-Thr-Thr 583550 746736 726923 385343 146772 302186 206091 245927 175833 161451 244880 163801 268290 213704 151412 102397 125383 162502 193587 255662 155410 156730 168261 363206 323758 246939 Magnoshinin Magnoshinin 2693540 2887425 2879989 1496149 5185687 10196900 9052345 16436948 7358091 7271074 5683005 6255387 1104255 1183133 1339897 545971 760625 573469 669541 1794792 8039715 4475111 7151575 7489067 19947331 15964859 14373252 Maleamate Maleamate 35951 43641 39558 35953 70097 64319 58138 68410 137743 132048 126189 161235 28999 52270 57758 51933 52766 51162 85726 49308 81933 73161 68362 76261 19226 19241 19736 81866 83796 93842 Maleamate_1 Maleamate 161032 199660 162851 181932 85663 98229 103476 113504 101210 91861 91191 88049 91661 103786 101685 106610 84538 109485 98252 106573 95854 86161 94961 93602 120335 130997 127173 107999 133667 132650 Maleimide Maleimide 1006383 980537 768105 1170771 557174 719704 755363 680972 503896 384025 640147 429565 970618 867230 1322336 689133 760190 711115 674836 609886 680033 575261 714026 473876 66499 71117 65162 501545 887872 1003434 Maltotetraose Maltotetraose 43279 100361 99829 128489 37393 76834 57693 58674 282849 292103 282324 271098 63142 81124 65878 46113 155196 142758 132735 115162 111569 97007 67577 99984 150621 134556 139044 Maltotriose Maltotriose 38628 50218 56817 60441 31712 41436 34837 35711 115058 157278 124914 156007 49424 62809 60807 46804 113887 116441 116856 100508 65490 62521 48554 63368 119809 122497 124975 melibionate 58180 66237 61913 60806 28178 29508 29500 34032 43311 50184 56020 42065 37964 26956 28212 39419 143569 161157 165692 Melicopicine Melicopicine 50151 51003 79734 70063 325379 515861 357168 480881 21070 40702 66445 125529 106400 137728 142877 75199 63167 77592 51886 46113 39970 47626 34143 137276 173173 172718 mercapto-2-propanol 653685 917918 703719 614943 301444 460583 356480 444455 337446 436336 373819 359325 412760 412438 597147 418372 362380 467666 415407 326132 364011 339525 367312 346983 73558 71135 70639 495359 467702 626289 mercapto-2-propanol_1 936936 857102 711869 658200 450433 441745 387811 495078 449878 414192 386538 361166 506235 433309 438741 464762 450007 411013 412867 383361 457092 462018 388415 397011 549826 516588 616480 580671 515878 571300 mercapto-2-propanol_2 2750073 5056917 3450837 2546405 1865902 1601258 1445534 1946582 942638 1249247 1207680 1035987 1079563 1284344 1491835 1270198 1030748 1027573 1319006 1233443 1245417 1167103 1144652 1540173 309255 197645 295877 1469443 1639410 1458426 mercapto-2-propanol_3 1351480 1743604 1708731 889591 188559 295825 238488 591145 177633 204395 223818 148674 175064 181852 216538 158937 161562 170945 135800 163004 185586 135718 213369 201246 74257 74799 73788 297320 194247 252267 Met-Asp-Pro Met-Asp-Pro 12506 38812 55655 49615 62039 18599 13830 16088 15325 60778 51959 87493 36124 120253 84453 93283 109406 51792 44403 63182 Metazocine Metazocine 613266 657597 535896 468473 289530 270315 280394 351121 297771 338480 260792 271256 354583 320786 329735 363923 284689 363388 361920 256750 289654 274224 285761 249102 359414 374839 315901 456833 456050 421500 Met-Gly Met-Gly 28853 39699 38220 31452 187660 96769 168110 106694 379311 587304 429344 268295 188590 131128 140408 144803 351667 373849 376139 297467 302751 358014 255812 365257 310350 309866 325338 Methanesulfonic acid Methanesulfonic acid 12431026 14274480 11470416 11112765 6480494 6481868 6425072 8358292 6657228 6932799 6615080 6581989 7615990 7339756 8149549 7624502 6320885 7102118 6660194 6730518 7319073 6235059 6482973 6251152 7871358 8723122 8288482 8867949 8903728 8781130 methiin 188588 187352 235030 330918 274673 178050 138887 124132 279625 196329 223314 253534 263175 226784 230441 218244 259501 217543 233548 195997 240014 200725 218703 215744 282966 329476 332238 methiin_2 42044 42059 36503 24717 155544 151480 175218 160393 58652 64158 59197 24476 124099 139414 129191 methionol 3-(Methylthio)-1-propanol 869327 899143 627761 295134 199438 204682 173885 220513 248769 261086 177842 178400 227598 212268 227479 170133 209952 245140 208063 179052 246293 166642 207658 136902 367483 236739 264856 Methocarbamol Methocarbamol 302185 312104 233336 192325 127913 104116 93037 133092 108077 92673 96490 112675 115106 106090 118051 85876 103696 92294 88841 95723 115390 88863 114933 106646 50244 45766 46353 152184 158972 135221 methyl 8-[3_5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 1098232 1459849 250327 272001 425138 574536 413460 381907 332295 162808 270888 475739 187492 299828 168821 351164 149471 284640 497837 164131 483912 376760 634810 481879 343048 Methylimidazole acetaldehyde Methylimidazole acetaldehyde 266687 225812 181781 195551 114386 145319 150898 169998 139533 146189 147694 131139 167469 157984 147273 157888 136317 122960 147026 115724 113730 113459 122623 126073 73463 76011 68718 147354 208082 200762 Methylimidazole acetaldehyde_1 Methylimidazole acetaldehyde 178611 267963 147996 162864 88561 105571 77334 115201 100277 95335 82439 80978 112281 109334 91682 129643 125830 85384 99963 96262 108138 108540 77764 89154 138172 116095 102577 135486 126649 143572 Methylimidazoleacetic acid Methylimidazoleacetic acid 81461 132628 129127 76057 46847 42048 44025 79208 61104 40838 56989 48335 68414 88049 60919 69134 75288 115419 63049 96862 73641 73881 80003 17781 19215 19384 81799 66260 60508 methylmethanesulfonate Methyl methanesulfonate 249030 309728 245473 219787 140883 143750 151888 168271 159073 135090 112993 191194 181822 171137 167116 164208 136767 148459 148978 138573 136918 130186 134365 136629 221673 187397 210243 Methylthiomethyl 2-methylbutanethiolate 40187 54466 64125 48195 370203 204133 232185 144505 30950 43768 38124 34797 220365 250362 223948 247480 82177 72117 57596 44350 38808 38698 33671 43886 20281 21507 16892 151105 107536 98897 Met-Met-Met-Ser 357668 422397 517942 1223050 2713673 1889540 1952797 2168808 495573 634950 420616 546871 1765484 1842112 1929939 2288040 856614 820004 914146 632965 163553 155175 138366 140702 1401036 1893034 2176963 Met-Phe-Asp Met-Phe-Asp 55137 60300 52803 31505 79963 76679 84572 74982 75423 75189 80438 69936 53611 57958 69915 100603 87169 104236 86785 75605 99721 81138 97155 79887 105412 99799 76996 Met-Phe-Trp Met-Phe-Trp 540717 282705 495639 802827 225292 106941 192664 122085 1721238 1440481 1838874 1573118 Met-Ser-Ser Met-Ser-Ser 250233 318268 295945 246239 197499 196588 152324 217015 91753 165973 118898 120196 227170 222946 219557 211313 152102 214801 159021 167851 190256 146453 148770 177579 238191 199559 248060 Met-Trp-Asp Met-Trp-Asp 1436646 756789 1808922 1324298 2390188 2147789 2116963 2256279 1620124 1727492 307949 780574 265068 142780 485247 864413 877448 2100438 2305851 5060181 1792451 9786049 8611960 8879126 MG(0:0/16:0/0:0) MG 0:0/16:0/0:0 1069151 895054 672099 426474 207689 234057 215493 466968 501303 429677 398842 350993 204563 232311 342762 197242 183714 270944 216041 282532 494147 397076 544331 567286 12255 498614 394104 414596 MG(0:0/22:1(13Z)/0:0) MG 0:0/22:1(13Z)/0:0* 2154089 3407592 2499140 1584850 285323 435037 407715 938930 202862 273303 178919 244024 226250 261465 MG(0:0/24:1(15Z)/0:0) MG 0:0/24:1(15Z)/0:0 2486254 3692626 3168640 1857138 427768 575475 435724 1415193 281605 340244 408093 295897 375853 216128 382476 MG(18:0/0:0/0:0) MG 18:0/0:0/0:0 1640921 1199693 1239766 754717 168275 221139 241382 598006 385013 300702 311244 291453 271681 321596 268361 214079 177837 209581 161978 302626 223251 265670 363434 313798 408626 394412 266015 Miraxanthin-I Miraxanthin-I 203325 206044 337004 279182 243784 303034 288711 195682 213301 483758 321885 386678 513916 251389 219069 181051 239624 242790 283681 521958 223917 Myxalamid D 1163668 1195751 1296408 627227 287313 484876 348572 727316 356619 283948 397735 288164 258331 343009 335780 319986 196122 241460 252588 397479 357471 295891 289086 255628 709062 453681 322235 N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 151562 161091 188142 278130 199840 423905 335105 313127 299380 211392 200417 243848 134246 474977 483447 376555 395800 355035 470015 507668 278819 310517 390983 256107 N2-(D-1-Carboxyethyl)-L-lysine D-Lysopine 44688 22409 49881 20487 71432 80502 89935 70320 80041 97231 121299 100540 97636 93546 113977 84596 59079 54402 48060 58420 150618 139566 159817 N2-Succinyl-L-ornithine N2-Succinylornithine 33641 34697 37191 34768 105214 71831 72889 73258 88499 135029 107744 128732 58404 58792 60523 68436 69334 68461 84124 55311 111299 92531 86313 111474 101033 142085 119550 N2-Succinyl-L-ornithine_2 N2-Succinylornithine 42669 39457 66450 58448 126181 104432 76874 84242 88499 135029 107744 128732 96241 88272 105013 111912 48613 52268 48059 53300 61563 43697 86313 62381 252342 333049 394247 N3-(4-methoxyfumaroyl)-L-2_3-diaminopropanoate 117439 186998 253404 205666 119071 216429 196240 179015 112394 202612 140733 145715 185572 177485 160279 121929 91633 132522 99706 203922 241460 172620 130920 170401 211050 211116 232687 N4-(Acetyl-beta-D-glucosaminyl)asparagine Aspartylglycosamine 90934 41679 82121 231797 949671 586101 576619 881879 1140295 561458 1105152 866019 128663 144255 122052 200920 475288 588218 693096 356134 755571 808599 1126476 795154 670663 842804 1246922 N4-Acetylcytidine N4-Acetylcytidine 53375 49491 53676 49328 137068 153925 124396 131164 528884 438792 417823 882655 67043 38970 42082 53223 89654 56056 74713 61759 398143 241455 642143 304797 339790 268706 288696 Nabam 15838 33662 173160 167192 150331 107882 101865 149093 132707 98233 184746 147726 214649 159327 172430 170453 203875 129777 159510 102228 155204 130909 524810 466364 464189 N-Acetyl-D-glucosaminate N-acetyl-glucosaminic acid 19117 22315 13855 81738 92714 94375 94414 18302 21731 24047 29380 74973 77961 96989 60834 140026 100160 106835 112390 96311 115086 110693 N-Acetyl-D-glucosamine 6-phosphate N-Acetyl-glucosamine 6-phosphate 136713 84053 92692 103325 112687 80118 97722 197936 241223 205762 N-acetyl -D- glucosaminitol N-Acetyl-glucosaminitol 460845 385548 503267 636354 1773719 1028895 1529575 980908 1621153 1813634 1699338 1657196 2810934 2755988 2943829 3151017 2172406 2007429 2042377 1690671 1308539 1259299 1327908 1310661 2160147 2296363 2479686 N-Acetylgalactosaminate N-Acetylgalactosaminate 46607 47462 68268 68146 124528 156524 74643 158010 77263 83706 91843 106413 39218 72876 78531 109620 N-Acetylgalactosaminate_2 N-Acetylgalactosaminate 28144 30670 33004 24136 22949 36469 33009 48912 42984 45681 44912 27890 26548 41676 27333 29418 22093 31296 27918 157616 149553 144699 N-Acetylglutamine N-Acetylglutamine 59442776 51193614 64347563 59898092 70682463 69160060 63686852 64421929 27903257 21983165 25462550 31129513 62052720 55708427 67462952 66940308 36820562 32400746 36564635 29279003 51062491 39288866 68840243 40066289 35188 65212554 62656402 59202328 N-Acetyl-L-glutamate N-Acetylglutamic acid 1491760 1164384 1381459 1373382 3450868 2700467 3169343 2781088 6311112 7379215 7217429 8437381 2705043 2546861 3223862 3109571 5194450 4638527 5693960 4008732 10842532 6938919 9239780 8022365 18820933 18699866 29833270 N-Acetyl-L-phenylalanine N-Acetylphenylalanine 403073 2476940 1741080 417880 342260 486165 447037 1562973 175695 369963 332455 160011 368409 222673 373011 249255 827833 192534 575300 353937 929434 393919 456053 188622 12268 383558 506098 174466 N-Acetylmethionine N-Acetylmethionine 713212 769145 389537 645032 2047604 1237406 2343426 2945855 242290 238884 265173 273516 888894 1070039 1634402 1436129 3187017 2570205 3999443 1805963 1005458 441357 357746 498826 10377 704141 1484346 1961959 N-Acetylmuramate N-Acetylmuramic acid 50479 59543 58624 122629 123071 143785 155443 98988 104933 115256 100527 69392 56951 56126 44272 90170 79198 102102 N-Acetylneuraminate N-Acetylneuraminic acid 64941 46632 88897 31967 107690 101989 63781 90352 58337 100680 N-Acetylornithine N-Acetylornithine 95092 86238 90231 105690 257076 194216 222609 172380 367758 424984 419035 432458 221299 235245 251307 261550 554192 492087 590069 462117 898646 795279 936937 717291 766471 755150 746049 NADH NADH 25094 206555 315111 37749 76801 68037 62494 61079 66510 52990 89378 145893 432007 158825 87982 97835 48593 89979 50421 41341 44883 189425 188267 187557 N-arachidonoyl alanine 1843559 1684290 2102500 1215288 572752 589922 655694 1286079 689693 709546 586432 564921 554699 450404 742851 694548 409886 419127 550398 659890 639429 557945 736996 594695 1074641 762294 779112 Narceine 137541 164395 136774 119319 100481 147488 109326 157475 127697 78056 118404 81585 23722 44692 30384 30880 113347 78375 62008 N-Carbamoyl-L-aspartate Carbamoylaspartate 16779 17501 25222 240987 209215 181490 169498 26968 26307 27661 28837 63310 56286 51900 66881 60512 76129 73975 58872 136789 117280 135936 114421 160412 145235 157344 N-Carbamyl-L-glutamate Carglumic acid 18303 22221 22021 53397 132952 120530 148202 160825 58351 55056 41060 33857 119735 114029 122187 108911 83340 92354 79787 83892 32396 41736 35108 30411 88485 85964 82680 N-D-Glucosylarylamine N-D-Glucosylarylamine 582815 380919 322651 415333 229115 261712 261082 222958 190565 315966 284664 248973 289998 245755 371827 227767 209159 217013 285305 214528 251403 184663 253149 222894 53349 38240 43331 283974 301392 336541 N-Formyl-L-methionine N-Formylmethionine 1926419 1798719 1769885 2134807 2627427 2720977 2746267 2312141 759947 967505 1210488 1376007 3089588 3212644 6441860 4547973 2598556 2150029 4196063 2276975 777695 873712 790056 1060585 2127269 3189843 4689379 Nicotianamine (R,S,S)-Nicotianamine 24275 28256 37308 28296 93045 63991 94437 60531 232876 242651 250852 304017 85812 54432 57246 58422 173213 119884 127732 109204 284356 185754 199378 205733 187212 170900 172860 N-linoleoyl taurine NA-Taurine 18:2(9Z,12Z) 136642 107410 89968 99457 105035 89279 93170 106206 68634 75616 73396 63271 85181 84839 96066 97561 85058 59320 86692 85912 81131 64910 82369 78560 57885 57156 58431 95148 92171 76539 N-Methyl-2-pyrrolidinone 2-Pyrrolidinone 162248 124398 124514 152904 259003 300759 223002 236837 77233 70185 85401 83670 183340 139358 135986 170972 136646 101307 106940 108110 96115 79730 94297 74590 13146 14698 14103 171510 221024 161350 Nnal-N-oxide NNAL-N-oxide 223167 427129 332791 246359 162039 166649 98763 181119 58056 38584 194488 79620 28543 40822 63594 35065 34832 39710 50198 33183 70830 191929 N-Nitrosoproline N-Nitrosoproline 1793148 1810089 1964062 1595193 2209092 2328019 2068634 2421606 229879 284675 184376 264788 1585724 1398866 1734390 1754635 527606 477220 443428 542792 98567 71987 101993 67488 10001 7108 1439541 1331777 1126183 N-stearoyl GABA N-Stearoyl GABA 1381705 1265731 1202103 703618 278807 465764 318077 572708 342315 406829 275431 389635 279555 332516 439429 262237 177546 193304 220941 292502 358127 266830 396233 283993 508340 400108 322351 nt find 1742942 1987095 1791532 2391352 1332486 1223175 1064101 1116225 690448 707669 909229 1022362 1914730 1970576 2393057 1727967 1182454 1220891 1542001 998626 817311 986928 881079 877067 176802 204413 182389 1152226 1692125 2039568 N-Undecylbenzenesulfonic acid N-Undecylbenzenesulfonic acid 31454005 55609628 21305444 24709986 3276575 9994155 5944967 14167760 3577655 6147767 4712532 4479646 2526555 3495007 4021721 3801259 2880281 2920554 2922257 4101838 2970322 2054240 2388417 2161888 47569 36362 42248 8164733 6962825 7242872 Octadecanal Stearaldehyde 1470623 1507131 1112955 787461 254256 296224 249079 478342 540364 473421 732252 425900 254912 274807 281418 447745 158900 173254 417511 369502 388399 Octadecanoic acid Stearic acid 362652981 402129960 301573737 197564209 25602739 44688542 31063377 101177556 19885844 19819649 14441198 14851757 30972083 28716583 39616121 24384857 17972798 17728001 16239561 24253275 22560808 13812549 17787666 15540448 8682266 2633210 1757244 51942264 40048303 34803472 Octane-1_8-diol 486910 661181 461239 412514 297023 257706 234685 316419 298809 308675 242682 240245 343700 316307 299908 286083 247427 268359 285751 288500 250351 234494 209026 257260 332321 396258 343258 362528 371621 398361 Octane-1_8-diol_1 118443 188872 150211 106494 66519 61287 74791 68407 57976 52513 91307 57520 36567 68326 74194 86471 64097 59577 63625 62857 61474 53630 80959 46849 17086 16165 18613 111968 95493 68956 octulose 8-phosphate Octulose 8-phosphate 30024 22365 32692 51287 228367 151811 164566 114185 210671 253449 219624 438934 250510 226541 235587 296878 158410 133704 164565 113489 57529 57161 64184 41453 229244 227389 267777 O-decanoyl-R-carnitine CAR 10:0 625952 464885 281214 232650 314366 347028 728518 652586 569281 535787 500567 428225 650115 454083 583402 406064 460089 467111 677087 732395 922149 740269 598265 690959 775906 O-Phospho-L-serine Phosphoserine 678266 514554 852991 1362756 2051067 1454728 1606582 1002898 668867 556664 650542 960058 2931365 2481558 2611964 2939315 696871 662173 716825 506619 646532 503540 1203258 566387 9475 7311 1691804 1930018 2074873 Ophthalmicacid Ophthalmic acid 54259 58012 86364 104869 112692 68400 55085 70529 72654 115407 148606 39967 65772 155333 33487 197617 88225 146687 Orotate Orotic acid 164167 188509 178244 256272 268886 199816 289982 186434 63700 52867 49881 156476 154106 126958 144396 127066 132984 176208 115413 171105 165835 186555 179902 10757 10047 13046 284588 251596 273669 Orthophosphate Phosphoric acid 1599813 1733584 1496969 1419208 1175928 1135072 1086839 1160936 1145425 1144245 1031439 937302 1295856 1247041 1212828 1201837 1124756 1163568 1024937 1007057 1156863 1073465 968163 1002027 957333 1037735 972874 1511701 1383947 1325460 Orthophosphate_2 Phosphoric acid 927139 994509 1499109 2739549 17598131 11448812 12364923 6484150 7475917 9786866 10471355 10959141 14340258 14877669 15154489 19643616 9413590 9453185 10062116 7246337 6551444 6528909 7080872 8480581 239343 255751 281777 12000836 14751890 17019758 Orthophosphate_3 Phosphoric acid 36725163 47562876 38652477 44005746 25497457 27501872 25392050 33249649 28517430 31760515 27562060 25502070 32227502 30938520 29001284 27234217 25152168 29012023 26894119 23145278 32320887 25462675 20367563 25396597 350533 427656 333999 48640969 43686327 45608894 Otonecine Otonecine 5567749 6929117 5677338 3245272 736621 1209435 938902 2955367 540550 549985 421559 450411 612561 737246 506319 Oxalate Oxalic acid 100879 108671 95461 101454 51175 44886 53014 63910 53664 116564 49293 81177 75593 55438 66848 68348 48440 46378 100717 65034 120445 57757 48583 55174 59074 74303 58822 589812 550302 579547 PA(17:0/0:0) LPA 17:0/0:0* 387821 414541 293038 206708 144825 203505 148964 481835 187814 289103 225757 207333 85105 84203 109436 87387 78928 94378 124461 99290 125524 121041 143576 120035 225721 214172 207041 PA(35:0) PA 35:0 81591 49739 66754 79234 63483 71617 60651 37718 58415 87305 138342 106651 147970 59473 165081 82539 78920 74640 109269 75534 114199 97339 88129 Pantetheine Pantetheine 232095 155863 52017 64808 626057 770144 542427 680696 35606 102609 29479 227068 324468 344939 268303 541003 437385 709566 296291 463905 454612 389442 parabanate Parabanic acid 387704 497948 256571 368187 204956 174831 177459 220446 179986 218007 196958 188936 236387 225763 213568 178778 203251 170422 199121 174455 191393 156600 169182 176835 252933 225940 232875 240197 219098 245551 P-DPD 24018 33127 30693 41243 132587 82621 111964 83612 61108 55080 64967 62483 97597 110306 114060 141348 81820 84119 101341 64309 59207 42755 43771 54093 152323 169558 170545 P-DPD_2 43333 102970 69279 81561 59315 47210 58077 70964 57118 77821 72328 78336 96615 75015 69994 83355 53438 55310 48651 51544 52552 119898 119899 141105 PE(38:0) PE 38:0 136847 133620 151850 149768 82769 83459 53922 79738 60110 65218 23131 104602 84030 78128 54891 85161 78855 26106 93833 15961 88645 94052 59407 118431 67704 112535 Pentanoate Valeric acid 1317340 1665555 710383 867722 2452375 849355 1208584 2887487 595891 859041 603789 826330 661055 723118 1140660 708099 879585 898337 1237879 763177 1409485 649661 908518 893256 50072 48522 41922 1160354 1086494 1357638 Pentanoate_1 Valeric acid 1632718 4658325 2945562 1359089 2452375 849355 1208584 2887487 752329 1175255 1374801 704124 661055 723118 1140660 708099 879585 898337 1237879 656188 1409485 649661 1175625 1150426 53966 49349 41922 1160354 788934 559156 Pentanoate_2 Valeric acid 65959490 84518392 52430731 40424503 27900585 54717984 40059733 62845084 23814371 56123673 29867176 36525616 38467443 38121666 46584351 24645742 26371120 37256505 26653674 27579264 28486050 33426637 44189246 25724190 45029 49349 41659 58662434 36157044 29059872 PG(15:0/0:0) LPG 15:0/0:0 1186191 1238902 1062625 1040776 476433 310612 409641 531962 1853676 1210695 1548975 1410644 678285 631412 779212 674792 872245 817526 844487 819380 992462 910931 1146310 1092167 1382913 1129208 1383274 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 1023872 1143275 890094 736543 334559 361542 440427 501375 425101 393976 361695 429640 653051 526890 734855 600856 428053 398189 441378 488015 462844 278340 337642 371958 650925 701567 653156 PG(17:0) PG 17:0 613602 748399 516189 348469 624768 555624 631562 883402 856880 923050 1172576 863974 753792 753052 828387 761742 774901 803718 703648 847820 617416 556412 762561 580330 988516 862479 927473 PG(19:0) PG 19:0 499984 277971 356813 400345 569650 506506 597242 702133 545694 771452 801723 843041 819929 709079 835639 663716 768820 777180 692546 786251 678199 838451 707509 824132 PG(20:0/0:0) LPG 20:0/0:0* 377401 818821 495893 363485 466766 626720 821402 341427 424544 428692 307559 1080660 1022767 1436607 950213 726643 733774 634102 731317 574344 354983 443472 395279 904269 758064 863859 [PG (24:0)] PG 24:0 1336567 1292110 1551762 721609 394172 814611 560261 1220686 606874 731711 794894 703655 161065 206526 204964 291812 647219 451190 404605 PG(25:0) PG 25:0 9949246 11288275 12212529 5642333 3996759 5282213 4236361 10356406 1186213 1463371 1198493 1166970 4072665 4973971 4400289 3865886 1610957 2044235 1728427 1851195 890331 714914 837078 742527 3796398 3808250 3386268 PG(27:0) PG 27:0 2404981 3274577 2518605 1511225 1030489 1267411 992460 1965182 688213 736500 682217 741953 1192901 1349822 1260914 1062775 894504 947389 958396 811247 632508 440410 498251 432438 1196215 1106562 1084151 [PG (28:0)] PG 28:0 1331226 1592768 1727592 919738 850976 1188235 1165307 2294952 704901 895477 635832 732690 940252 1132210 1108625 1122302 591813 663487 556649 607060 342590 420344 546631 368454 1082850 992295 970745 PG(29:0) PG 29:0 3539103 4022172 4383303 2083234 2705633 3558649 3558801 6090184 1955486 2469474 1867891 2053016 2974345 3864896 4509128 3466042 1749851 2000534 2461577 1961321 1581555 1226076 1455127 1148458 3437380 3252999 3186179 PG(30:0) PG 30:0 30999672 32045999 35223803 23719781 29184678 32855918 33756651 55836007 26197716 28900574 25744056 29276819 16229870 21474872 23873706 19618229 14810673 15994689 18508871 16108994 14112379 12124549 14774246 12255296 32713899 27881663 27200226 PG(31:0) PG 31:0 43689554 38092772 45716697 28453400 35161455 36236144 41078440 60554526 25295141 29141719 24346355 26354912 30449355 38406238 44870268 35887259 21488179 21434695 30301341 24450082 20218943 15905436 19279187 15996702 41888369 35763090 33403139 PG(31:1) PG 31:1 913379 765341 738107 778937 544177 549858 523407 966992 366254 421580 450969 370937 501657 842297 859677 857247 418354 349131 547364 384113 492510 327150 482492 332313 719546 634106 529091 PG(32:0) PG 32:0 129441586 129716533 142097096 100499099 125799976 121698913 131470003 195815509 133049195 145490937 132123476 150675148 65460782 84714736 97166040 78948454 80649513 73745517 110953404 78521489 102447858 89819485 110472612 86280262 43349 162928540 137770587 124896024 PG(32:1) PG 32:1 1284479 1442391 1241228 955006 689911 758695 667006 864389 369445 416214 369127 390042 894124 1076528 1487273 1107698 558021 438874 620937 541948 441184 323274 412044 386879 913225 794810 801436 PG(33:0) PG 33:0 97259203 80014753 100720864 64372710 85887811 78926982 85851482 116128817 46179325 52800654 46642183 48935567 70873579 92010758 111175451 84887985 43760350 41732988 65523157 45781368 44730663 34130872 44107853 33923307 24130 91671132 73457366 70143079 PG(33:1) PG 33:1 4860904 4435756 4241343 3560725 2742989 2191538 2355538 4570528 1938075 1857898 1636697 1472191 3608003 3468845 4984322 3681756 1562127 1330322 2249903 1505597 1628903 1257634 1631360 1318956 3614417 2652765 2778270 PG(33:2) PG 33:2 2026857 1778392 1999405 1703597 903673 975805 880821 1308326 785197 729657 822896 721901 1176630 1254792 1584709 1431337 855276 642093 1134821 724179 848770 637745 823282 550402 1177770 1119632 1090463 PG(34:0) PG 34:0 62888097 51289165 62254532 43129656 47366183 43669246 47428761 62493138 44970691 46792706 43492293 46500601 40393033 52479606 63158206 46183489 34714004 30628166 53642127 34039384 63023045 46395269 61731199 44366235 25966 70071778 56093108 49704698 PG(35:0) PG 35:0 61933257 44411146 59161562 38333089 48260493 45539436 43716759 58299324 21541621 26921721 21309840 24401441 46077350 58744217 75002603 52064360 25746000 21355422 40176083 24636421 28044332 20286927 30439823 19933448 57256369 39310341 33995522 PG(35:1) PG 35:1 3704887 2966730 3485695 3081715 2443617 2102107 2033166 3153643 1479449 1434435 1289164 1220234 2285981 2767491 4045604 2715287 1363216 916507 1897629 1196873 1221656 866461 1306590 1017592 2396952 2048801 1810386 PGP(16:0/16:0) 754382 820823 401200 396633 186202 94386 515104 326213 690345 975489 1319795 660170 306211 229593 418101 201418 220968 226528 1041005 498296 598192 810112 1057203 746100 745306 605040 487498 Phaseollidin Phaseollidin 170510 140879 126982 Phe-Gly Phe-Gly 40472 44194 57892 53757 39480 62228 62789 122780 109553 124853 101074 72341 77863 66691 53257 74775 80616 62779 Phenol Phenol 234617 287842 255578 226816 127062 128135 133369 145473 130877 133085 116851 114613 160670 131382 145915 139336 119810 120166 142139 114332 149214 117838 114626 117121 169334 155242 156260 190407 170928 171247 phenoxy radical VII 707663 1160583 773588 1059806 264107 422866 245844 446385 256433 392021 312573 347932 272697 240631 314934 221810 131458 123189 171150 82787 135776 122174 120045 153766 226129 368441 383056 phenoxy radical VII_1 619324 1202931 765119 623200 169114 223439 260800 390900 99323 142705 117225 98683 67756 87085 84612 67375 69502 61106 72528 79982 77552 46827 46243 47208 172265 182550 162847 Phenyllactate Phenyllactic acid 85391 139342 219963 100260 123984 88825 127635 496787 109653 192699 229754 173715 182718 179590 136679 136819 112994 135395 183687 146292 207555 128464 122748 236565 24340 13511 14102 105044 172594 159386 Phenyllactate_2 Phenyllactic acid 2025008 1132406 1467787 769471 2423432 4134383 3647533 3671340 3455577 6334791 4057805 4779700 4742311 3791609 7324909 5263592 4342102 3776059 4261740 3418480 5331472 3834343 5707388 2196060 20202 15670 13123 7342227 4620662 5065048 Phenyllactate_3 Phenyllactic acid 85391 139342 219963 100260 953253 103677 127635 184620 94677 162555 144391 173715 129336 179590 136679 150313 82029 135395 146526 139389 99717 128464 134589 152430 24340 13511 14102 334248 217536 198544 Phenylpropanoate Hydrocinnamic acid 223778 131224 104300 269221 200975 301727 298922 94414 138531 157311 325844 255691 106139 156077 396813 206211 136006 128421 254650 142222 231299 171445 329419 258369 14860 14508 19235 561752 531451 625331 Phenylpropanoate_1 Hydrocinnamic acid 2077356 1317869 1380792 644430 507201 1127829 675732 863950 865694 704104 826080 916900 226213 523299 377619 450623 378550 281052 411973 473393 778023 576817 1083675 741914 18624 15071 19143 2443571 1705782 1171875 Phenylpyruvate Phenylpyruvic acid 1058794 1101911 1638695 1645805 2386353 4843252 4477983 4959917 2046808 2854741 3301460 6969144 984291 3239425 3349184 4379470 902175 791689 1662471 2128237 371272 491739 1088445 759744 32627 29154 30725 1838673 3290255 4110673 Phe-Tyr Phe-Tyr 615911 1117797 387843 169961 525864 323806 582364 333699 723165 673915 479742 457993 335544 605408 809523 310993 273125 375969 840217 587560 317066 Phosphoenolpyruvate Phosphoenolpyruvic acid 75439 47059 74808 34229 29722 30557 29702 33793 94010 114236 131021 126359 75798 81552 107572 68003 48530 45606 52137 36547 75082 85932 107272 Phosphophosphinate Phosphophosphinate 115243 209876 254322 83803 177671 111726 137843 187376 46093 51787 73126 Phthalate Phthalic acid 263703 221060 177605 224607 153939 147372 175068 175809 202342 291038 194846 160854 152162 138098 169520 152555 153276 216689 103958 165415 235573 146145 204449 222852 141143 136726 128283 563727 423184 270763 Phytuberin Phytuberin 1631683 1794444 1420418 1339556 852472 917331 795884 1004263 872173 873241 832066 769914 1000847 948413 962427 893103 830673 876253 839845 841803 938373 809315 822063 788327 1036904 1051845 1090740 1177274 1107302 1117495 Phytuberin_1 Phytuberin 19929852 6558813 9244817 2800752 1084948 1688022 1661648 3218264 2544923 1504801 1465367 1387577 1131814 1745686 1418819 1052371 2102186 1091470 1061453 1448809 1372272 1175999 1736259 951144 628199 603327 614364 2812804 2460641 2447089 [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol) 1064810 1061041 846095 599959 179884 225920 197873 562046 187740 235426 229401 206343 155953 181774 257185 232973 166710 114941 140689 147757 171977 142461 148623 214733 270468 272133 319086 PI(34:3) PI 34:3 118248 104046 148468 253057 86978 78038 53808 62060 26587 40724 24024 29953 18990 21059 28007 28813 20334 65801 89852 111756 (+)-pinoresinol Pinoresinol 669516 548469 602198 429548 698262 907127 737584 970460 1218677 826049 1192565 883195 339022 262833 325872 267891 775811 798592 693773 724135 1010289 776344 858801 700729 1274908 1086006 900390 Polycarpine 540899 463416 524440 538017 699190 790102 640594 712053 302144 322065 325232 296782 912056 791256 920006 991035 728508 678367 696806 585374 459982 432790 437915 387440 845105 768941 773740 Polystachin (flavone) 40147 52962 71136 66048 161910 201946 256744 422635 28193 78703 58844 71774 129811 226084 266420 291165 69475 63414 105977 110512 18178 36832 20984 74032 156867 194670 Pongamoside A 19619 39822 26633 24542 40224 16464 14297 19127 22355 28928 49374 44375 42390 46246 83841 29529 115460 72261 108573 91051 191007 228077 238714 Precocene 2 Precocene II 144046 261659 281521 428098 177685 205131 166233 155168 93038 184912 105612 218852 199358 464538 339422 345458 [PR] Ketomyxol/ 2^-Hydroxyflexixanthin 60614 44232 58300 49264 51297 47490 42127 79765 85167 113153 106545 95372 94801 102523 89543 59510 55691 58488 57247 89602 90182 79005 Proclavaminic acid Proclavaminic acid 22022 30359 34747 38986 36648 29977 30588 33823 66742 85998 70073 64112 57916 57863 66024 60912 172288 174514 176583 130441 264681 223829 221186 206046 165657 147927 148610 Pro-His Pro-His 75241 113334 138493 132443 43368 54086 52360 56221 34996 65233 34329 64709 70180 70317 94102 83226 121646 118874 116819 97517 140905 123829 129305 126247 88346 103092 88258 Propyl 1-(propylsulfinyl)propyl disulfide 13285710 15485252 14802708 8319040 1446432 2409730 2319612 7057611 1600165 2587204 1447170 1419249 1051203 1584758 1301218 1077851 1038537 947760 1233193 1530793 1464395 1277661 1350965 1216452 124397 62947 105948 2576970 1628803 1476970 PS(18:0) PS 18:0 1536651 1620033 967418 586860 268156 400676 256529 874913 313071 293700 338736 273200 293726 255247 489741 326637 197588 202555 217213 200830 265321 201775 295205 260576 401521 384110 448673 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 1346901 1143952 846061 532404 221517 162415 214887 815367 234792 262381 220131 255502 212772 246147 322882 280289 176678 152626 218869 213772 215073 201571 175247 223431 329131 423894 467871 Psorospermin Psorospermin 235894 88872 214383 68151 73017 130273 151220 142472 189563 331448 277180 216840 165505 138852 120661 Pyrazinamide Pyrazinamide 120989 136051 143431 109370 60575 58566 77769 74050 60714 70062 73516 76678 74804 75046 80051 88681 57055 73320 72377 76843 72842 64476 77011 74995 81486 96073 101223 91761 100916 111517 Pyrazinamide_2 Pyrazinamide 250070 296351 252350 244097 141030 145356 143050 167741 138747 140718 123929 138141 156686 163962 166433 160384 124709 132023 129158 139982 128589 117867 134219 128408 161213 181993 199114 170751 199000 204203 Pyrazinemethanethiol Pyrazinemethanethiol 214872 287721 245155 328541 217967 235752 175128 337041 117720 145394 119220 118542 253905 254556 279296 278665 155071 159898 174403 172860 161291 101786 99101 107510 451262 441060 481625 Pyrimidine nucleoside Pyrimidine nucleoside 169471 203559 197598 142000 279394 246042 333129 254477 408483 582330 444433 391117 207059 224473 211033 212513 554857 496613 541678 509989 517286 478617 393731 496621 521636 482137 437764 Pyrophosphate Pyrophosphate 255656 309473 202679 204123 139096 140463 132797 149948 139049 165480 130272 121111 169767 142214 154747 132957 140661 147759 129078 159738 160074 120793 119300 121449 171709 148767 151022 191857 193950 162365 Pyrrole-2-carboxylate Pyrrole-2-carboxylic acid 1503110 1560816 1155264 1651216 769093 1087969 959631 811725 1024681 1252095 1564317 1258328 1071269 1095134 1477836 1209812 916391 1009913 1264621 871515 926981 935775 1059448 997053 74200 78813 75881 951709 1304824 1561146 Pyrrole-2-carboxylate_2 Pyrrole-2-carboxylic acid 79649 90005 90978 72674 119901 80423 110500 77207 141240 122503 120060 192944 112668 118793 107156 112892 173687 102091 111930 98140 97191 105440 171738 112993 31874 35869 33959 219027 172806 153585 Pyrrole-2-carboxylate_3 Pyrrole-2-carboxylic acid 377989 355159 301977 239559 193762 258503 153803 208452 200117 216928 289826 222608 222771 245077 240991 232538 242858 166327 181174 187310 243708 217793 197392 240374 84466 96979 84101 269645 298283 231064 Pyruvate Pyruvic acid 182248 160542 170066 152736 216596 202092 192628 248331 133034 106492 98668 121663 152456 121462 161992 124975 111429 116946 112704 134148 98827 100088 98822 92383 68679 60758 57996 158385 210966 165012 Pyruvate_1 Pyruvic acid 224801 228923 175300 141467 93425 80233 80883 109325 114202 101359 102238 90998 114266 103112 104756 105126 94310 99722 96863 80036 120381 85905 87951 86671 121954 113641 114573 139201 138778 133996 Pyruvate_2 Pyruvic acid 147976 168645 135960 154835 517506 167295 612828 302545 511329 694852 520108 652714 182025 215480 199643 214022 290957 333951 301146 303622 313896 287977 341634 348290 75023 68583 70570 427192 438971 481382 (R)-2_3-Dihydroxy-3-methylbutanoate (R)-2,3-Dihydroxy-isovalerate 113416 106026 88908 117378 480907 248252 415941 324239 384319 354959 453087 279191 351610 406664 460430 479412 1447007 1618735 1506975 1347988 599180 865764 654565 683612 27383 22362 24066 885899 831678 743436 (R)-2_3-Dihydroxy-3-methylpentanoate 70167 90258 98723 102331 54616 53934 56143 70530 1568170 803660 1121337 3395222 53436 79768 173616 79720 66806 55364 78940 67607 1613780 1384374 1642622 1515425 20378 35945 61004 845228 831063 989543 (R)-2-Hydroxyglutarate 2-Hydroxyglutaric acid 399555 285164 322616 324610 1518838 1161001 1620950 928241 4034071 5687284 4605988 4711576 2137695 1966916 2617489 2359854 8389042 7986154 8528690 5600873 6130496 4665805 5132531 4895708 70321 67740 66791 18397336 18143733 18396321 (R)-3-Hydroxybutanoate 3R-Hydroxybutyric acid 75199 69477 61294 51544 545486 324768 497633 266382 210214 229644 274272 150865 290798 460545 401712 492990 372577 400703 497532 299489 393848 502732 456104 460082 25403 16933 23599 425693 402870 429279 Reduced haloperidol 14025 16906 60716 66914 58011 38847 17492 20071 14671 21859 71639 79399 94962 90479 156331 168934 133843 145133 101410 98786 69855 Retinyl ester Retinyl ester 859646 743859 988520 281657 169458 283849 237664 509665 647582 622251 468415 538120 326710 372294 412232 279195 315897 299582 297829 446650 617797 675452 1029975 624782 64126 18226 13476 717023 606698 504574 Retronecine Retronecine 926687 666688 522022 862741 367999 646890 535329 481701 399121 571200 635760 573692 613870 556408 1084872 584657 538680 441705 660123 411144 484822 440282 541737 437748 82140 82806 98198 610729 671824 985514 Retronecine_2 Retronecine 316607 376701 255299 264082 160297 194534 155950 191760 165722 188197 148091 144517 205185 181137 214135 203750 145330 189250 166530 153341 215230 155428 166812 149823 214998 199358 236042 238064 244757 210783 Rishitin Rishitin 3736670 4338658 3390337 3197148 1951539 1920940 1861294 2193524 2010753 2093567 1917260 1786071 2165387 2264882 2261259 2065955 2124627 1894547 1836859 1860382 2073971 1842967 1909609 1748001 2367676 2601082 2756676 2657908 2571721 2987472 Rishitin_1 Rishitin 1415410 1162692 1275391 581670 263720 350754 336020 648748 392781 371477 282949 292535 246330 291756 342369 253282 279001 244193 273888 340564 294550 293652 264259 267684 147126 174257 173248 397098 385504 420204 (R_R)-Tartaric acid Tartaric acid 27178 30221 25912 30346 49632 45664 42381 49180 76029 91566 103714 75589 59076 53721 65231 66619 51734 59658 60613 51364 74292 83242 65675 87552 15945 15029 15489 101180 99027 95365 (R_R)-Tartaric acid_1 Tartaric acid 1046158 1238872 896026 533053 209285 167569 535885 124432 126951 112452 133706 17525 12745 12857 162221 (S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 62222 74297 82785 78610 65971 46113 92884 73039 92999 95112 88687 111987 87370 74166 102284 117340 69144 114923 80251 103306 117974 88716 128330 94049 29192 34054 39322 136176 135161 109601 (S)-1-Pyrroline-5-carboxylate_2 1-Pyrroline-5-carboxylic acid 73343 91012 125870 105797 91849 121688 84210 91290 79526 61344 69754 133685 134120 144629 189074 127171 104114 137236 85665 117882 59655 122631 212901 178393 42282 39336 50887 161619 146239 141903 (S)-2-Aceto-2-hydroxybutanoate Acetohydroxybutyric acid 547307 408535 508191 428034 396257 817712 703076 961051 601228 488403 498539 454136 175179 233866 221721 169705 155845 130128 154458 233653 561481 344613 512752 614851 80367 82710 83166 1280888 1022921 1019286 (S)-2-Acetolactate (S)-2-Acetolactate 317973 322542 211118 183319 329636 319780 346390 355815 425851 767376 479387 499409 263956 323044 334186 360887 499272 467179 492382 520762 290894 333183 272250 363852 110211 88050 110219 488720 486153 440240 S-(3-oxo-3-carboxy-n-propyl)cysteine S-(3-Oxo-3-carboxy-n-propyl)cysteine 792653 1084753 852600 846241 1829202 1190458 594282 1057291 1424855 2324628 612820 1682692 155723 272257 201670 778414 641858 647570 (S)-AMPA Ampa 854823 817707 1311359 1063839 2875084 2028699 1799196 2042488 2911920 3292875 2380211 3395184 1809228 3381276 3491784 3409057 2145424 1795903 3215241 1472108 4198703 4615048 5408131 4533949 3826041 2641833 2200826 S-Cysteinosuccinic acid S-Cysteinosuccinic acid 58384 375757 583185 588749 442883 128121 81461 140431 56212 893653 556920 553091 900548 2524352 3309745 3733689 Secobarbital Secobarbital 2177802 2257452 2024506 1876960 1190064 1229358 1101216 1294241 1074291 1122657 1044322 1017581 1320476 1151471 1257485 1296988 1143355 1129032 1056906 1074224 1308739 1017158 1024380 935982 1542181 1375870 1462849 1749832 1374278 1396427 Semilepidinoside A 586103 541705 485553 352400 137972 312774 251499 189638 350356 367848 240462 289705 394098 488851 431670 351859 300404 505689 330450 306994 Senecionine Senecionine 357635 323281 223935 211820 171195 109133 133356 127377 176586 131613 117638 126809 185017 147960 165877 169392 181366 140699 122250 149645 240939 122832 94454 115964 171404 174684 199455 235157 180227 216410 Ser-Thr-Ser-Ser 39972 44108 73107 104678 249398 113530 134270 195075 288713 252307 278808 353172 48504 58379 90360 77492 68438 99365 126806 Shikimate Shikimic acid 236464 266154 258680 215223 188596 149728 143249 190456 168661 223287 168213 147083 253295 202228 260627 243645 185195 184166 178845 153146 188923 201929 197371 177720 131224 132936 127057 260926 208715 245230 Shikimate_1 Shikimic acid 684213 536470 459565 386715 270963 298034 255202 328270 285675 237882 234949 241131 267068 248358 298733 299891 278351 180613 247681 231301 288384 277853 280918 230815 195738 171658 171235 375282 374553 309492 sinapoyltyramine 152951 169125 138362 114512 71956 73396 77411 99223 75481 84169 79770 72260 94322 80989 90364 87039 78768 81300 79487 79356 86255 64744 68200 74277 103455 97584 89196 112815 107576 104658 sinapoyltyramine_2 177716 190192 143514 156683 77811 89517 91589 115006 72119 110768 85442 107261 84733 100237 119117 100957 86410 79587 95538 83517 91569 93213 86085 104189 58697 47739 50794 131909 136983 115290 (S)-Lactate Lactic acid 1357319 718496 1775023 943814 4849806 6430753 3867342 5010206 6989811 9679787 8197011 10997259 3206866 4315995 3708249 4489932 4248055 4490965 4347097 4012862 5258968 4549800 4457102 4001409 104888 81180 86470 6109267 6242808 6382873 (S)-Malate Malic acid 7393975 8479196 11245557 16786836 6740360 8636919 7413901 8462357 96898521 119074633 125238342 85694279 15488469 11438970 11441932 12314874 23321118 22193749 22640526 21732907 112812113 95661499 93390111 110275850 246593 220693 240170 74408407 72019440 74866682 sodium dodecyl sulfate 4102266 4308337 2925919 2769360 2021729 2207130 1721622 2113679 2142206 2181717 1829707 1623154 2344435 2155817 2037856 2086014 1823596 1964327 1911567 1742107 2267058 1836221 1972298 1549424 2619240 2211092 2490629 2780217 2467244 2704654 sodium dodecyl sulfate_1 10610932 4775169 4188571 2703998 872884 866892 2063666 3109252 4208297 837723 845633 639130 1046657 3705568 1668381 911477 821453 947569 3946286 6860211 891410 600994 662330 548676 179931 161173 168366 2679718 2374163 2300948 S-Propyl 1-propanesulfinothioate 2026337 3378190 2630003 1159433 181280 315911 361543 3422197 221219 301301 298509 697108 233521 292254 580683 442163 332529 144658 423372 303659 321146 247446 272805 588007 350625 197502 400165 448250 574043 565182 (S)-Reticuline (S)-Reticuline 316239 452165 325285 288757 206195 218222 170430 198764 186801 207380 195052 168110 232437 190382 167584 259267 203388 179061 193914 172605 194677 190753 167467 169221 286092 270376 251149 263635 234817 254240 (S)-Reticuline_1 (S)-Reticuline 295506 283907 276573 203038 129670 188425 291520 139259 296223 143224 138735 152800 133377 162964 162067 133039 126427 120335 125840 180060 236411 219842 112220 115651 105595 92660 86105 218687 182783 161343 [ST methoxy_hydroxy(3:0)] 2-methoxy_3-hydroxy-estra-1_3_5(10)-trien-17-one 3-D-glucuronide 2-Methoxyestrone 3-glucuronide 226827 384544 334467 494084 296528 245954 269507 281671 351618 226701 346915 250496 650188 480982 545197 [ST oxo(3:0)] (5Z_7E)-(3S_23S)-24-oxo-9_10-seco-5_7_10(19)-cholestatriene-3_23_25-triol 23-D-glucuronide 652523 544135 720317 1141442 407407 315921 223206 286616 111087 150709 120310 124382 63929 66097 55272 64053 84677 88190 109971 68633 45662 47932 64056 49987 348885 426040 430290 Suberic acid Suberic acid 199144 168301 195052 191193 149427 77563 120719 61728 221679 55965 157485 57331 138781 164140 191565 115111 84440 144072 108239 145857 181428 105458 109221 129421 26795 27772 24146 80850 96894 149247 Succinate Succinic acid 3041464 2542259 2724865 2456101 2139481 2244302 2127155 2130213 9650107 14561604 12249080 13067305 6193622 5497627 5288591 5701860 4491478 4648326 4346105 4260110 10162063 7439088 9671543 8420960 126512 125796 132252 9450533 8709602 8664291 Sulfate Sulfate 789299 874462 784773 639930 395050 409537 445341 489511 433769 584236 462136 533547 517675 522942 611395 520149 511040 446819 548183 517084 592779 427914 372013 429445 586969 603607 512071 2303300 2158111 2161974 Sulfoacetaldehyde Sulfoacetaldehyde 187726 145730 192321 223798 245913 257438 236276 204541 178858 173663 169214 162053 337518 338739 319136 332931 281502 249457 258591 169022 203128 154181 138216 173591 342873 292723 343446 Sulfoacetate Sulfoacetic acid 43482 28285 25149 25256 21695 20588 13905 18130 16439 21579 25473 13800 15505 20079 16283 17054 18473 13317 17824 12348 15816 10755 13643 228868 184612 195933 Sulmazole Sulmazole 652915 557377 452937 381506 741179 783047 870870 686377 502744 519517 581633 696405 761099 737112 914574 626896 1004018 867296 737316 868765 145958 117912 136472 Tetradecanoic acid Myristic acid 2654711 2886074 2240257 2405255 1293417 1541627 1393464 1642802 1473512 1712961 1617311 1517026 1693442 1623512 1973813 1599051 1401520 1441966 1623507 1414569 1419203 1336629 1484833 1342586 881606 790588 821774 1895851 1969862 2190460 Tetradecanoic acid_1 Myristic acid 18353624 18516343 21546053 10054230 5090366 6665069 6545097 12701859 8652788 8763858 6292665 6717185 7840323 8187700 11224737 6698711 4188713 4799921 4866889 5865268 8798606 7758524 10510173 8563217 911830 833957 829502 10931148 9466447 8426191 Tetradecanoic acid_2 Myristic acid 49195485 57049222 41594823 37222335 26965587 29517779 22576872 28921142 27847998 30470568 24427131 21670002 30025688 30247726 28940346 26624728 25095500 26229991 25148744 23457718 29574725 25233484 24042056 22668337 30684740 31917280 35157036 38822498 33288868 37655778 Tetragastrin Tetragastrin 123882 106118 135042 126765 125084 145422 99833 131279 63693 82068 60568 63960 152290 161325 118412 152460 114920 106726 117809 104809 100449 74732 82536 88050 137246 157660 134904 TG(53:4) TG 53:4 3546395 4232380 3319870 1995049 245900 586446 450660 1030635 435384 281091 267866 184008 271016 494317 279992 222433 289529 288466 378577 107059 165688 209602 510508 442534 271162 TG(56:13) TG 56:13 671709 758526 655631 414094 183963 252904 200775 313299 463600 455148 507301 318499 153298 175078 171829 260547 125168 71325 275233 270382 213542 TG(56:13)_1 TG 56:13 1106784 1052504 890191 554044 219960 318536 211457 429507 120859 180450 146629 228790 381768 356735 395829 203061 196944 195395 207569 255404 140771 90947 168079 78823 354340 309246 248117 threo-Syringoylglycerol 204471 189105 142809 117756 95146 92171 63547 92317 86519 82818 87553 82512 93108 91405 89687 83011 73617 70657 75586 69104 93700 67117 82285 91906 49161 40951 39089 130156 120365 85330 Thr-Ser-Ser Thr-Ser-Ser 627642 254615 372820 184734 534590 525111 511064 586878 353388 232751 364055 372861 469060 479448 403424 337637 531122 454994 458520 502158 1007840 1266848 1026594 Thr-Ser-Ser_2 Thr-Ser-Ser 13202 37666 39792 52649 51087 16000 15015 25191 25267 29961 26167 153087 126657 159943 138503 64830 41132 62477 Thr-Thr-Ser Thr-Thr-Ser 199160 135616 255147 246742 1029584 914178 985747 734888 1016862 1098883 909625 1051133 976181 812032 931343 1001787 1640972 1449479 1543795 1389189 1744853 1450560 1622573 1671653 1590085 1692717 1637058 Thymidine Thymidine 2541396 2866555 1701340 2082307 1415431 1005480 1385571 2007871 1521707 1536057 894495 881105 2987005 2099783 1457133 1155238 150377 522439 702045 723839 224682 926994 1043034 599580 1647510 1265910 1530166 Thymine Thymine 326714 350283 299941 279976 151730 172548 163143 221682 154493 163966 157685 164164 175618 190131 192596 168602 153538 180074 164721 160264 152344 145186 164032 152271 202214 204173 232930 223702 219921 224845 TRAM-3 334504 358847 423792 425001 562401 529573 498204 513339 3634300 2256982 2995861 3998818 597449 572513 583725 658057 2229167 1835755 1930668 1818835 4399367 5654629 5735349 4838547 63466 72595 Trifluoroacetic acid 923331 967072 680459 730362 421199 515680 480908 492034 539724 497138 635012 475078 520960 468019 618444 497804 501288 461534 484977 435025 450924 449539 515017 407271 201521 191094 170964 619985 619994 646509 Trifluoroacetic acid_1 771205 855232 737434 657815 435493 432128 392699 446662 489023 419693 403794 378263 474942 418755 467689 438566 458907 390596 402796 366875 397210 383055 367470 366582 604637 489211 435230 745272 480323 512943 Trifluoroacetic acid_2 864233 978946 774537 825174 463997 362898 424172 485289 491806 540709 380389 363440 607358 327070 423124 498445 478359 391738 447849 419777 491330 432058 420909 387689 235008 216164 197595 595223 648452 496394 Trifluoroacetic acid_3 817583 810919 553292 567200 349579 447755 443011 395404 447094 431658 382133 419845 363211 427883 353202 419513 360527 287163 360143 432457 379428 274765 345519 338746 335494 377227 544220 475595 563522 517940 Trimethaphan Trimethaphan 17730 24671 58515 30230 49070 48743 57928 47163 50467 45075 103310 77210 79201 73647 56946 65287 65687 55877 32103 41221 33906 32258 68244 59541 73407 Trp-Gly Trp-Gly 433711 657458 508666 313179 514181 672010 577734 560223 624749 668361 365786 697724 730473 769038 856433 587977 673320 579185 745917 535949 508740 453153 500274 498417 909489 563354 594106 Trp-Tyr-Arg Trp-Tyr-Arg 46397 16534 45642 26342 65458 97924 87013 60350 44840 48691 53957 54806 134243 129691 154233 101207 73367 63585 43005 90338 82281 91290 134119 Tsangane L 3-glucoside 92084 105613 84523 84088 105790 58618 87312 81488 67406 57181 55534 44574 55562 68109 68955 95859 64431 73975 60013 48245 57966 47582 54709 53138 69652 57481 61166 100143 68830 93413 UDP UDP 178050 156747 290714 532765 3530436 2515978 2779303 1561923 3389497 3756405 4165896 4018828 4674389 4851259 5413861 5736814 4242267 4179399 4510478 2981615 3414927 2751972 2582921 2878772 21574 21777 22257 4334899 5457031 5942676 UDP-glucose UDP-glucose 184933 123863 160768 304249 897122 544619 663929 341906 718187 715175 729998 679171 849263 745838 881043 975565 527274 512107 477588 311641 218249 190402 153836 246464 841804 903094 1071178 UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala) 1356402 968436 1745127 2582154 3022598 2701355 2389243 1851853 492970 596784 497076 509433 3654927 3852382 4131402 4237445 1159087 898346 937305 690483 340758 195677 183619 160605 3365096 3458762 3472726 UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate 375326 342807 433587 830694 738919 521981 593893 349176 90808 133682 103010 111692 1450360 1440697 1442748 1811542 697974 670053 821546 449398 181692 116633 100830 122431 1381385 1545017 1655846 UDP-N-acetylmuramoyl-L-alanine UDP-N-acetylmuramoyl-alanine 118666 70814 151723 149020 220126 234537 126954 143623 220772 260511 275063 312542 24818 248608 239201 305910 Uracil Uracil 172560 332592 302838 326399 187838 308926 255464 295697 302334 319817 250020 212899 253242 288174 298653 296983 223798 186928 216645 188009 172301 246567 234698 209881 73326 156001 141868 208214 328455 242538 Uracil_1 Uracil 272151 328545 272100 266482 135723 163177 149407 187228 162095 147356 160894 152195 159961 172715 169886 177099 140118 142423 152995 152940 149541 131862 147739 137612 150449 174204 205697 199721 192267 210224 Uracil_2 Uracil 1344689 1886886 1968308 1770167 734139 763634 833202 944218 551707 752830 629328 564022 999834 897181 706400 772202 451625 441157 570688 680709 687398 634339 673496 667294 56150 121127 119879 1015829 904057 1053115 Urate Uric acid 285084 377136 227720 307124 151294 88392 122073 155422 162240 161096 141027 144598 156741 184130 143749 143077 122380 174429 152910 130447 168787 123771 153295 109769 191087 194508 180428 209778 250704 190605 Uridine Uridine 1024296 1406248 1635431 1377610 515388 497529 562065 617666 410994 503431 415207 420452 803043 676160 421791 492438 323106 266554 321434 478256 469812 477210 517830 451997 739091 694366 735739 Urocanate Urocanic acid 244683 260520 223157 205391 129283 144915 122946 160254 128692 128744 127444 134061 160196 136745 145419 141398 133372 139909 133163 119911 142070 133601 125912 120629 168638 159137 180655 179622 172351 190626 Urocanate_1 Urocanic acid 202327 231088 182860 185645 92474 113226 106328 136371 109826 98185 92626 105538 127776 114622 121695 115219 108058 107930 108981 106914 102785 95465 98847 97396 135327 136929 146896 132607 145824 160540 Val-Val-Pro Val-Val-Pro 60104 56046 69609 80998 90311 152148 140236 100189 48208 53682 68444 42416 145968 124412 189177 167725 140064 95062 100656 108266 191399 114595 131566 vanillylamine Vanillylamine 99469 145085 108018 135012 91150 94554 87930 110019 91811 104581 121919 108862 73819 99137 114341 116084 86795 75333 126221 78992 93296 68518 121212 89503 48445 48579 48429 149713 117895 107444 Vinylacetylglycine Vinylacetylglycine 751936 510172 517795 357685 832141 820416 547770 512276 389770 307228 413330 434688 222256 652213 683415 623924 421322 295969 512205 311151 319561 216394 315589 272185 49297 76778 79173 662334 611969 679096 (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid 626413 670927 485347 771653 350316 420328 441447 490207 475452 267961 318643 419824 478300 606163 681489 332775 456486 484309 516416 478714 408129 439284 414167 290240 72050 63149 63396 541594 650603 519091 Zanthodioline 313317 311030 338260 403804 149805 167335 95265 164497 171271 274880 127999 119031 218616 245601 274758 220208 137167 167070 157284 182334 183483 194506 334977 189910 284154 183629 187929 (Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4^-(tri-acetylrhamnoside) 465328 250272 263649 374916 349401 359782 329547 420367 321629 585251 603602 345452 204147 360934 255879 413928 440740 699038 430592