Metabolite_name RefMet_name S00009477 S00009478 S00009479 S00009480 S00009481 S00009500 S00009501 S00009502 S00009503 S00009470 S00009471 S00009472 S00009473 S00009474 S00009475 S00009494 S00009495 S00009496 S00009497 S00009498 S00009499 S00009488 S00009489 S00009490 S00009491 S00009492 S00009493 S00009509 S00009510 S00009511 S00009512 S00009513 S00009514 S00009482 S00009483 S00009484 S00009486 S00009504 S00009505 S00009506 S00009507 S00009508 Factors - Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low 10-HYDROXYDECANOATE 10-Hydroxydecanoic acid 2094793 972967 1412830 408831 337268 1726826 872805 2150209 715085 350408 315618 452681 567514 851391 1004885 806009 1162920 942365 1068175 1338708 2433461 1275008 2365492 1289808 1009505 347027 1457314 919512 1259113 429341 1360127 1264082 1028833 1184716 1408322 945497 1086486 655297 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE 11beta-Hydroxyandrost-4-ene-3,17-dione 1278498 1369157 1415143 1134137 1100804 1282306 1606857 1252077 1231978 699882 1458243 1182571 1037851 995450 1121315 565659 1185565 689821 1312870 672322 1375427 794494 1_2-DIPALMITOYL-SN-GLYCEROL DG 16:0_16:0 62534 44598 12-HYDROXY-DODECANOIC ACID 12-Hydroxy lauric acid 2033628 3319554 2355613 2765355 2560208 2875160 3241455 2368640 2243311 3090684 1801923 2286568 2508730 2751213 2473394 2198188 2532987 2976512 2885512 2159970 2761956 2149026 2704154 2143805 2858028 2118320 2043594 3345307 2362887 2293185 3206697 1667058 2326853 2370541 2175464 2388298 2750646 2514693 2733524 2868892 2100413 [13C]-ARGININE Arginine 855809 695762 859503 762965 865355 935664 832292 792917 460122 581465 863979 830346 970534 553442 874537 599504 803335 497834 665927 687227 870057 883633 805499 873484 852153 875136 807339 899690 906023 866170 927084 715181 425563 671593 1091983 673874 584147 549446 525312 579356 877033 [13C]-ASPARTIC ACID Aspartic acid 5802062 5870565 4718707 5993705 6690513 7309218 8358609 7767067 8755970 7530480 8173515 7707465 10198345 10314967 4229722 4511342 4519308 4768877 5609051 9208037 9099942 7832996 9345248 8788075 10250980 9471564 [13C]-GLUTAMATE Glutamic acid 524827 328500 486187 416173 565353 619594 544313 553487 237574 621090 574117 628186 389351 294723 357945 298417 319191 381305 613076 507358 496063 512338 497349 585563 471547 521858 540496 568566 590613 429353 181161 329709 597260 297225 261820 230986 250832 292238 494911 [13C]-HISTIDINE Histidine 19220 22846 20314 17910 16974 17561 10591 [13C]-ISOLEUCINE Isoleucine 7967 10629 12492 11891 [13C]-LEUCINE Leucine 544859573 492648831 546503857 541861012 554357026 599686408 525800169 552854424 495686077 374912643 538506409 547932678 542935854 490222684 612997367 498485343 510584430 443472349 426912023 484189824 611315678 648923816 632334008 618105103 579609958 605886678 613606549 513440991 582323658 593757956 553874116 551548619 432328935 483711717 687900184 470434873 489978279 430303310 427413306 506419427 575491573 [13C]-LYSINE Lysine 231753 192588 244023 230818 260355 239417 209872 265116 140392 161700 239777 248020 273462 186371 248932 191691 202966 180549 215095 226434 218209 249744 251570 250700 247205 220456 257596 231914 266682 259164 255438 232000 134950 181508 310137 190736 182225 156277 165600 171022 256484 [13C]-PHENYLALANINE Phenylalanine 278022089 251832549 293703163 290437299 287298927 294173063 270204489 297569810 260008419 216655191 291211717 272180275 285191016 256394883 316879681 256151799 258300451 228340759 227559782 254045831 304242064 312575255 305968480 303780463 297411263 301518159 303265036 302842262 300881907 313961342 288074527 273637123 218877632 244310993 306707841 251841656 244496654 225221497 216623076 245496019 273868283 [13C]-PROLINE Proline 5265228 4294861 5419623 5465570 5392113 5554984 4934741 5558424 3597299 5185820 5172807 5440575 4723411 5922607 4193056 4583296 4323941 4717364 5303117 5469101 5267435 5844938 5467665 5197870 5086950 5946543 5812948 6042039 5253653 4933244 3330506 4620081 5846033 5336636 [13C]-THREONINE Threonine 226481 178138 223666 237226 227184 238092 257902 124106 146155 221897 231470 250454 258426 156554 126773 101758 116912 204953 241636 252352 216494 231644 242450 224517 230126 254358 260440 239830 194347 103540 162124 281920 160193 133396 57032 126291 233270 [13C]-TYROSINE Tyrosine 57245476 50829860 55379243 53258242 56443606 61798309 51795396 56587866 50838572 36440845 57246128 57732783 56581198 47505201 65861761 50839827 51337838 43358387 42275127 50826595 62119670 68931857 64480698 61458036 60292912 64190861 63680484 62321250 58814659 60831570 57462001 55001181 42629120 48247179 72430860 50255249 49556678 43704066 43474963 48508292 57092965 [13C]-VALINE Valine 45083070 36233296 44829456 43121571 43525421 45378090 43929144 46525848 29854440 30004771 44672035 42385898 45886926 37779906 49109368 34321776 39868865 32174141 33873723 38632074 46948905 47415617 47843839 48174137 47519760 47019456 45490944 51574223 48210123 51724326 44197257 43043463 24885999 36985488 54972798 34310221 33213280 29271098 30183157 34308022 46412353 17ALPHA-HYDROXYPROGESTERONE 17alpha-Hydroxyprogesterone 2965921 2648043 1905542 3813884 2473366 2021598 2487496 1-METHYLADENOSINE 1-Methyladenosine 175599 224989 335929 174812 228250 124203 106497 650173 169795 281813 290230 108350 320227 943455 726339 331108 148035 167014 269084 168734 199739 150073 224597 252161 269884 289461 103633 658668 365115 473120 183138 236421 381209 262767 344102 548687 293722 1-NAPHTHYLAMINE 1-Naphthylamine 31243 30910 31373 32627 30507 178332 1-OLEOYL-RAC-GLYCEROL MG 18:1 25071 122679 18017 44131 208738 43452 114067 85654 54743 31799 99372 86164 28650 66025 43262 40910 2^_4^-DIHYDROXYACETOPHENONE 2',4'-Dihydroxyacetophenone 810563 879788 326260 923936 1400353 1384209 832242 1073804 732223 974649 1082388 1190342 1198341 1572190 821528 1496153 932178 693492 605935 1590486 1136109 1319855 889131 1325943 1597067 1428934 1927711 764223 1468187 1906060 1081996 735646 1066190 983606 825540 1173740 701042 1138541 1310581 315085 1174714 2_4-DIHYDROXYPTERIDINE Lumazine 236722 54302 99447 164023 2_5-DIMETHYLPYRAZINE 2,5-Dimethylpyrazine 24805 25161 17261 43602 56352 37281 43667 48279 16771 50547 87861 33541 30984 21220 2_6-DIHYDROXYPYRIDINE 2,6-Dihydroxypyridine 187460 25079 209229 50378 318216 29151 68072 37267 217236 244557 187195 64006 87583 51876 35379 52006 27791 74682 36044 86293 154358 32953 36277 34372 27606 30531 38484 32843 22380 46839 311042 278334 52931 249433 45929 179074 49921 71062 110195 51773 40909 2-AMINO-2-DEOXYHEXOPYRANOSE 89336 73181 53528 41404 45827 39677 86019 92136 76431 64174 46287 136804 101078 134154 102989 78449 30640 67672 27408 37455 34328 127044 37935 35152 26046 33330 36870 80642 119211 21781 131166 14995 140868 109765 (2-AMINOETHYL)PHOSPHONATE Ciliatine 29539 18246 39133 16669 22391 32148 22737 42522 40716 36544 62986 2-AMINOPHENOL 2-Aminophenol 141525 139453 2^-DEOXYADENOSINE Deoxyadenosine 110482 81426 130608 118337 73766 128228 17082 81146 61673 56906 46690 60450 237816 65817 226333 2`-DEOXYADENOSINE 5`-DIPHOSPHATE dADP 28024 18465 33788 84141 76831 24298 41799 42803 81288 15400 35039 39820 83362 39455 39904 61092 110515 121082 19250 2^-DEOXYADENOSINE 5^-MONOPHOSPHATE dAMP 83565 63407 156413 17445 44725 55927 68080 109763 26287 35677 26390 93148 45672 56596 2^-DEOXYCYTIDINE Deoxycytidine 19038345 22240470 23151985 23730274 20275431 21465463 19488350 20599401 26766759 27530104 21768284 20545110 24618355 20645444 21291623 25750350 21573410 22549227 20708155 21869593 19514503 16907916 16443501 17506437 13256227 14846655 19474491 20071633 14655212 18816667 18334893 24669942 19705314 25036549 12864662 19027711 22487456 22128223 26440048 17185059 14523086 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE dCDP 117479 74136 114631 55321 155703 70841 50895 55686 89167 78357 70175 151882 81406 110559 92230 106713 55103 97847 118063 86480 188673 91782 54305 2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE dCMP 31098 33510 14595 14210 14597 32666 23859 18354 22716 15636 26435 10600 26502 18213 2-DEOXY-D-GLUCOSE 2-Deoxy-glucose 6263904 4640478 4455583 7707463 3366270 5736342 3785877 4060359 6045620 5406420 5436942 5321949 4308859 4133737 6506537 8969830 4950107 7925780 5798313 4792997 5968651 3484328 5286156 5971733 6787344 5749929 5810324 6051038 7955573 8145559 3828507 4314994 7692587 4307826 5085791 6740775 9375609 7108333 6542017 6467481 4726650 2^-DEOXYGUANOSINE 5^-DIPHOSPHATE dGDP 93711 83694 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE dGMP 25386 19032 16040 21744 13433 2-HYDROXYBUTYRIC ACID 2-Hydroxybutyric acid 16780575 12325785 15316260.5000 17007470.5000 15226532.5000 15407997.5000 20873851.5000 12621630 20500731 31704051.5000 17585184 14095296 13223068 24062327.5000 12558846.5000 16070506 18065609 26187423 31167253 16345190 17524168.5000 17381335 13773046 16459943.5000 16203321 16203202 14874762.5000 18335162 26224160 20059893 12241398 14175832.5000 31087881.5000 17616190 10507674 15891102.5000 26297348 28823242.5000 26906497 9424286 19489159.5000 2-HYDROXYPHENYLACETIC ACID 2-Hydroxyphenylacetic acid 811667 879338 326054 924347 1072632 1079783 895130 1082560 734037 429209 1093384 1203935 1198767 1572768 823118 1506861 933699 695405 606385 832530 1144491 1650150 914071 1450490 1968193 1964866 1930901 762783 1531774 1629552 1082409 737525 1068150 986003 835095 1187493 702843 1139604 1336826 458361 1174861 2-HYDROXYPYRIDINE 2-Hydroxypyridine 30461 42779 27897 30900 18756 24203 37044 2-HYDROXYQUINOLINE 2-Hydroxyquinoline 1603860 1728477 1710065 868270 1159675 1886748 1418700 1685852 977388 1283668 1566230 1479641 1029160 1830938 1034600 1267303 1027917 1284391 1694803 896972 1177038 1181313 1273590 1621478 1302853 1006384 1469319 1862315 1938411 2289985 1791105 2-METHYLGLUTARIC ACID 2-Methylglutaric acid 76096 32715 734248 739811 784281 759600 774358 864991 751252 822496 678106 2-QUINOLINECARBOXYLIC ACID Quinaldic acid 702628 928000 1038635 1565272 916823 612963 789054 1548639 950986 2316582 1291049 865159 1114813 1867871 600283 840383 1506294 2933423 1718794 718935 674140 705448 511910 710827 942782 1091943 780145 594089 603149 472479 586396 1192378 733273 1490461 994532 1483945 2065108 1703038 1200838 2141221 1598477 3-(2-HYDROXYPHENYL)PROPANOATE 3-(2-Hydroxyphenyl)propanoic acid 1440786 1488531 1336577 1193632 1437939 1637615 1454531 3_3^_5-TRIIODO-L-THYRONINE Liothyronine 26608 15733 13197 20238 3_3^-DITHIODIVALINE 3,3'-Dithiodivaline 15356 32605 76460 23449 17315 20581 14155 15897 70756 46374 25804 35181 39803 23481 17289 157781 46107 14025 16910 19918 3_4-DICHLOROANILINE 3,4-Dichloroaniline 96870 61632 127356 14504 46765 76054 66324 72664 91361 39855 35283 161047 45118 62485 107202 43011 90673 100033 116745 76958 28564 49025 140206 69684 127363 177991 36779 102792 93183 3_4-DIHYDROXYBENZOATE Protocatechuic acid 996240 809510 573798 929795 602265 917829 149632 710949 656396 434341 620262 342792 646306 672496 567697 711952 1287264 609005 435892 316952 487773 398687 763589 952257 670252 1290011 341479 3_4-DIHYDROXY-L-PHENYLALANINE DOPA 197955 145521 3_4-DIHYDROXYPHENYLACETATE 3,4-Dihydroxybenzeneacetic acid 433809 31828 30549 17814 42151 53654 76112 23489 3-ALPHA_11-BETA_17-ALPHA_21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE Tetrahydrocortisol 2448507 2003445 2225355 2556818 2176284 3640833 2115037 2942334 2259364 1906815 2670430 2265199 2848959 3040970 3ALPHA-HYDROXY-5BETA-CHOLANATE Lithocholic acid 125228 23586 15353 19835 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE 3beta-Hydroxy-5alpha-pregnan-20-one 1785100 835245 1485000 2611337 4279374 1416171 1731478 3^-CMP 3'-CMP 18078 15954 33690 3-(CYSTEIN-S-YL)ACETAMINOPHEN 3-(Cystein-S-yl)acetaminophen 4681011 3768748 3271334 4540863 4177580 3601893 3318726 3300920 3665924 5438807 3812342 4139616 3403429 3994525 3936929 4491903 4326090 5213045 4401122 3993231 3190766 3977022 3625887 3629184.5000 4183452 3345952 3929781 3718912 4205372 4638068 3752462 4267798 4671115 4515673 4060193 5326914 5495233 5253789 4658772 4985614 4364582 3-DEHYDROSHIKIMATE 3-Dehydroshikimate 18644 57430 173996 3^-DEPHOSPHO COA 3'-Dephospho-CoA 18050 26076 276486 389040 219086 371550 443959 151243 496990 577754 368711 409512 547088 536971 25103 303315 371505 276711 253008 23932 120565 3-HYDROXY-3-METHYLGLUTARATE 3-Hydroxymethylglutaric acid 1761736 1861792 1927518 1744086 986216 1341693 1742480 1269620 2297710 2436794 1452699 1364649 1318737 1576195 1618233 1837500 2090379 2017214 1454400 1129808 2005994 972059 1370182 1642916 1480679 1244421 2180844 1382934 2440911 1424712 1572553 860716 1915133 1705313 2484962 2670128 1792566 1802435 3-HYDROXYANTHRANILATE 3-Hydroxyanthranilic acid 291644 337253 3-HYDROXY-DL-KYNURENINE Hydroxykynurenine 133578 163400 44970 21310 31711 88883 139471 226077 195007 470542 187210 352855 57290 202094 194685 37406 581261 155819 353742 152224 3-METHOXY-L-TYROSINE 3-Methoxytyrosine 802556 1125508 1373907 2596986 1711504 1520193 1564341 1875562 2361501 3036894 1424411 1735689 1536030 2411957 1873090 2093094 1122930 3167407 2688210 1594635 1401373 1263869 2545425 1760254 2874165 1648880 1536665 1370844 1643476 2121452 1424299 2365386 2380007 2638047 1442155 3043602 3356026 1395438 2955112 2582706 1977459 3-METHOXYTYRAMINE 3-Methoxytyramine 30535 13955 17300 21103 3-METHYL-2-OXINDOLE 3-Methyloxindole 362233 354085 268543 443663 256479 312591 351059 638173 318879 363079 89520 268400 496594 365518 442003 291353 176096 92808 147179 120758 165957 503009 102229 187639 314402 429247 341434 427873 350213 473387 381232 608482 353807 3-METHYLHISTAMINE 3-Methylhistamine 13365 13234 11609 19067 18601 16206 15344 27817 14744 18389 19841 30402 22900 20678 23601 23255 16238 24738 3-PHOSPHOGLYCERIC ACID 3-Phosphoglyceric acid 146197 3-UREIDOPROPIONIC ACID Ureidopropionic acid 840651 706085 1279272 548119 778611 2098324 649326 288083 558067 1692047 4-ACETAMIDOBUTANOATE 4-Acetamidobutanoic acid 79592 50752 99437 53701 50205 100383 4-AMINOBENZOATE p-Aminobenzoic acid 617076 792122 312833 776779 350313 513077 661140 525685 703184 682959 332653 831582 472958 1828278 414517 458794 467751 544224 686299 976341 718026 676314 1993189 411991 938976 688928 506314 410255 822706 615195 486333 440212 582749 307962 380652 4-AMINOBENZOYLGLUTAMIC ACID 4-Aminobenzoylglutamic acid 326599 407738 274173 243605 232652 167725 311580 248403 288034 219392 249561 246081 276975 212992 138865 178424 215557 218700 250821 247323 215600 271210 205489 218699 305578 226462 33644 339182 169783 4-COUMARATE cis-p-Coumaric acid 58315 110079 32741 95322 71014 39076 20800 140161 78275 32939 4-GUANIDINOBUTANOIC ACID 4-Guanidinobutanoic acid 568862 1233156 308235 386719 827069 2763795 1275582 429119 1138200 1024442 428191 729449 1729966 981656 649179 305768 217178 322241 124593 619248 266459 532007 151218 321140 652305 727277 738622 885992 881547 902069 815934 4-HYDROXY-3-METHOXYPHENYLGLYCOL Vanylglycol 11059 54154 91970 36778 42351 50778 148734 27395 35478 26199 30167 114487 41191 39522 40766 4-NITROPHENYL PHOSPHATE 4-Nitrophenyl phosphate 29203 37130 39799 24666 40023 21821 21727 37763 29029 4-PYRIDOXATE 4-Pyridoxic acid 2060986 1396790 1601858 2756845 460842 857365 617488 666044 1802480 1575962 778095 509421 659119 919632 644390 1455619 1758422 1094625 1292007 639410 466017 605606 446023 549156 469079 480554 1113530 579217 715976 377046 710747 2564890 1099003 1018127 332851 1205341 1620484 2338472 1226081 2709665 581021 4-QUINOLINECARBOXYLIC ACID 4-Quinolinecarboxylic acid 9835 136045 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE AICAR 19389 5-Aminoimidazole ribotide AIR 543357 567658 389594 533718 684128 579332 551622 581516 184687 587651 498736 469857 211768 395554 364509 269782 188036 498398 371656 569910 758687 696841 691214 787144 948304 587857 747557 781027 654124 686592 698569 384538 403404 545846 546683 568469 525848 483922 448501 364948 552923 5-AMINOPENTANOATE 5-Aminopentanoic acid 10523 15108 30054 14113 17957 7363 13439 19472 5BETA-DIHYDROTESTOSTERONE 5beta-Dihydrotestosterone 57139 67132 65995 81543 10647 33746 61387 75449 63841 65226 22823 94657 66684 62220 69540 81474 50406 15212 72611 32379 55835 53158 74277 73962 48732 60487 36662 84235 65053 69856 85673 71581 74106 83235 5^-DEOXYADENOSINE 5'-Deoxyadenosine 113124 81606 108357 108013 76862 131063 112595 146017 126926 29802 83445 64213 55874 37574 47767 44635 77671 153702 65393 89317 84245 234649 5-HYDROXY-L-TRYPTOPHAN 5-Hydroxy-tryptophan 1038620 806798 1153588 1599732 963716 1019443 495235 524451 1674378 1194715 1438617 960120 1086167 1000242 1080990 1493905 315987 1557461 2658642 1255575 705426 1081813 740333 608200 1074722 749662 1066837 472056 902989 1232967 859721 1411882 1681512 1295691 735954 1118598 2122054 1987432 1833116 1569712 733958 5-HYDROXYMETHYLURACIL 5-Hydroxymethyluracil 27940 117928 42097 64372 74136 44299 82433 59212 34086 16033 62279 93029 57106 51376 107501 101785 129123 28422 200537 17261 40335 50101 18406 43815 5-HYDROXYPENTANOIC ACID 5-Hydroxyvaleric acid 11455797 1543323 6677262 7909529 8362140 1417797 6178910 3614657 1526170 6420407 4991056 1033404 2025678 5212445 1882414 1384036 10803129 1815036 6687199 1549564 1619396 1846403 1232434 11429287 1588643 10868243 1655592 10309218 1674842 13104074 2114339 1608692 4032731 1725893 1829247 2140195 1643510 3070717 1032187 5-METHYLCYTOSINE 5-Methylcytosine 11965 12412 33566 11207 12835 12226 22230 11418 67905 56987 5`-METHYLTHIOADENOSINE 5'-Methylthioadenosine 345655 469021 365406 159629 493433 272721 289692 260464 202653 372906 404370 324949 229202 156179 195606 171820 284618 581165 485246 5-OXO-PROLINE Pyroglutamic acid 891742 467756 5-VALEROLACTONE 5-Valerolactone 381125 567202 640937 391622 423332 452236 344462 643051 1053376 334697 400183 339828 485334 465716 566617 336241 439481 1039961 430001 316545 473224 378622 464604 538609 429010 857322 468424 764476 731360 421857 746122 670905 906338 467823 517170 531121 505789 612657 508361 252642 6_7-DIHYDROBIOPTERIN 4a-Carbinolamine tetrahydrobiopterin 300145 353077 390949 132586 225464 164379 404475 531592 215189 200958 291306 219734 437925 658106 394359 256240 202849 203500 197236 217097 304288 179443 203196 153686 209715 394210 367657 199351 349273 450291 415604 480091 212894 6-HYDROXYDOPAMINE 6-Hydroxydopamine 597067 7-AMINOCEPHALOSPORANIC ACID 7-Aminocephalosporanic acid 20233 26819 ACETOACETATE Acetoacetic acid 19271 19526 15820 41739 19886 36877 25401 14988 24423 14417 31947 21936 18507 14710 29730 14556 17010 19836 22104 19061 23121 16891 ADENOSINE Adenosine 105177 116916 149030 7697594 2574728 805391 7383517 206680 376918 1502597 3542635 392182 7687101 671141 714188 741495 196950 1092101 1300425 7623910 5705291 177537 286662 2502376 283289 147830 150027 980452 179492 145626 677723 1700489 134927 231156 2542216 788806 135454 103282 ADENOSINE 2^_3^-CYCLIC MONOPHOSPHATE 2',3' cyclic AMP 52107 53771 50873 89349 42921 50195 61196 58470 51693 27162 84536 59566 ADENOSINE 5^-MONOPHOSPHATE AMP 19677 56325 174658 17648 29889 30651 13372 71917 192912 14997 12318 33989 39828 21721 ADENOSINE 5`-TRIPHOSPHATE ATP 46084 45610 56119 50433 39912 40513 39374 67835 50848 58203 40792 49269 47545 36680 60301 63433 55207 39718 37798 30337 35274 44106 20559 54820 22890 46625 68855 49676 46317 58392 71840 66097 72678 54379 ADENOSINE DIPHOSPHATE ADP 134046 125664 72035 118066 107237 106243 87928 65956 135900 205686 49946 139664 55581 131213 142685 149354 97586 133992 AGMATINE Agmatine 39565 ALANINE Alanine 1159204 858369 1123355 1560516 862702 899377 1169065 1196768 1646745 1461882 1300380 1147613 851356 992458 1067869 1625934 1332973 1963562 1031268 1498150 820276 972550 790401 1454454 1233695 699460 2090982 950870 1138408 812014 1079811 1130452 1704344 1656577 735295 1817309 2323504 1959729 1640290 1785565 1138764 ALLANTOATE Allantoic acid 336222 332530 298805 241132 445455 903763 430175 355412 144282 350814 659623 602367 396058 293915 322793 227021 282944 280417 288742 529310 729537 621704 344920 361290 202161 262777 599645 294082 206546 316764 821884 421358 252306 438501 348366 436793 361373 277503 417236 419160 434913 ALLANTOIN Allantoin 187488 43576 118132 270118 21352 146748 84054 102673 69202 22697 38415 15489 ALPHA-KETO-GLUTARATE 2-Oxoglutaric acid 2788057 2128698 1908021 2506976 1277039 1846555 2143755 1340110 527266 2191536 1636773 1279197 1735258 1462128 1242312 2408092 1395291.5000 1890799 2237427 1161889 1084477 1419118 1317845 1624649 559475 1787727 2846332 1759222 2159366 1609037 1523773 2077226 1004556 1823705 1219068 1158808 2157789 1741662 2181123 2058881 1596567 ALPHA-LIPOAMIDE Lipoamide 299370 1029101 220153 453064 119653 213773 140764 500441 463641 475116 ALPHA-TOCOPHEROL alpha-Tocopherol 2099451 1566387 2093607 1446825 525915 753949 1214485 474100 1231184 1312303 1847153 1183409 1454945 1161185 1485735 1396350 2042932 1979983 1777867 1566692 2006100 1558787 2283122 1622524 1278455 1683466 2054232 829826 1600744 1637212 1237832 1033831 1639032 1762976 1866402 1733278 2168034 1497471 1744906 1545155 1416826 AMINOHYDROXYBENZOIC ACID Aminohydroxybenzoic acid 1332514 1378434 1221288 1183870 1353529 870433 836771 1045318 849931 884076 AMINOHYDROXYBUTANOIC ACID 2001429 1738482 1770888 2970984 1815855 1608644 2078331 1656093 1705587 1234693 1421068 1604260 2105242 1646931 1785242 1940952 2540815 2008657 1692336 1852104 1287302 1337033 1471972 1288459 1347122 2147358 ANILINE Aniline 27553 28771 27752 58292 34789 24922 29875 25997 24671 38309 45301 79894 60479 33724 20119 13093 56823 20037 76055 85395 69657 88888 76151 38748 ANTHRANILATE 2-Aminobenzoic acid 953577 746207 785392 874135 613833 666006 436518 690235 697793 783828 712075 624198 770214 753586 730955 731377 741938 793144 871266 762976 667866 684993 635111 769933 653447 820673 659231 534116 520251 573491 1303205 940121 1093726 888157 632363 773582 937346 1369001 975207 702808 650161 ARACHIDONOYLGLYCEROPHOSPHOCHOLINE LPC 20:4 26199996 43533095 41996149 13423032 26868299 48858742 55841399 27802564 14874837 78034245 34746498 35663754 76289655 52089329 30400565 39014534 58886529 52514129 18884828 21682584 14180676 42226283 32919778 17273232 35321705 27302462 36010341 13140644 36832651 46515454 52809134 46844030 22856394 50601503 25873459 10713822 35414220 49687481 21135304 19593810 57766439 ARG-VAL-TRP Arg-Val-Trp 90763181 97610971 70331056 52789213 83274527 89328444 42797827 82006204 70245267 95251618 107075448 108348099 101126508 73219777 79478020 110708157 81768862 90875244 79307276 110601259 56698943 79750334 66590884 69027665 89862870 67929363 93248455 95370521 48742778 97954358 85203392 79937573 91968014 74895099 72317565 69835685 93363656 67170962 54057402 52548682 94064907 ASCORBATE Vitamin C 211329 212988 97802 263988 132025 158941 283093 180319 277656 104638 68185 ASPARAGINE Asparagine 48439 BENZOIN Benzoin 1405538 150903 250600 515339 1630482 1664773 392045 1429226 416135 580172 1518760 1433032 266356 1590848 626736 478338 282167 534399 1544478 518955 1678562 1716137 1603634 1526525 579699 1479352 409930 1588367 1617233 1412139 739656 1551897 1416667 581956 560640 548058 394407 387110 BETAINE Betaine 816424 636028 1354038 682487 865374 773778 1166327 1599980 1622608 363969 481636 805941 813393 948280 1188156 439563 536223 398906 613218 686136 1013810 669120 867230 626018 1182928 1959935 485815 877252 1324683 1506336 1143767 946533 476946 618973 380872 462571 348653 449417 356546 721101 BILIVERDIN Biliverdin 842891 252027 81294 273414 240911 219684 BIOPTERIN Biopterin 36848 17092 72975 28322 30238 29497 29702 BIOTIN Biotin 414098 359119 356526 312625 382789 335082 414059 390579 430848 455695 608149 242537 455127 398796 415041 295971 442057 BIS(2-ETHYLHEXYL)PHTHALATE Bis(2-ethylhexyl)phthalate 2523772 2706421 5424584 2285581 5035293 1950513 5233625 2368797 3240497 12246893 4251581 5723281 3006867 4143414 4267080 2729458 4250537 6326397 3634021 1839693 3101400 3037621 3005560 3589261 3588315 4787647 2694171 3055070 6991218 5023163 3056237 5997756 4997872 3497447 6093594 3514859 4035317 1717990 4288515 4215376 2909518 BISPHOSPHOGLYCERATE 2,3-Diphosphoglyceric acid 47639 45155 12484 29562 43034 24351 19647 35895 31705 33716 17788 33216 37494 39494 43382 20635 45719 25734 46151 35308 30888 21705 28432 18001 45431 BIURET Biuret 115658 204116 163220 122114 116055 246997 270460 35849 102793 BOC-ALA-OH 469174737 465144359 448919631 435768760 476030275 472168103 409522991 457900744 444834311 446233809 474244315 456498258 472450271 461565216 467716387 457816293 439338139 440868211 408904011 461530967 466997599 483454194 470562313 463786507 489059294 477459919 475541143 466164908 461720645 463025712 476804074 454768300 418033937 439481788 472991725 450753779 453881410 443384704 427053893 410202599 442868661 BOC-ASN 312296638 298493352 311263553 309122816 298440328 294819870 261638815 290220139 314689394 271968446 281688885 279992749 289863085 274808615 293715768 313595757 325056213 278540775 295116986 277710405 316060025 315689878 312045186 312842853 311650365 311836784 328465048 298355130 306377088 301946967 294077136 313223243 301519336 307075276 287631257 317272850 288207401 315244614 294126206 305684034 278577528 BOC-ASP-OH 112775224 109815290 113482603 104875542 113454053 106141985 91705718 109775358 112902969 103006806 110878285 114914001 111565936 106255863 121057164 117020292 112523554 107595002 102650309 113768126 115724747 118033128 114689334 113219943 116306385 118144903 121195064 109389170 109015027 111944614 113935705 110395269 107912419 108958236 115848601 113099275 109849229 103396856 112891386 100164201 102035960 BOC-GLY-OH 16962 92447 93575 110747 71477 21155 15806 76294 77546 95671 BOC-HIS-OH 53024 23556 49622 20959 58098 35020 54578 111975 49094 BOC-PRO-OH 184800 BOC-SER-OH 226568 BUTYRYLCARNITINE CAR 4:0 83841394 58120255 69201103 66988904 34792647 37597533 42966658 39559097 70961595 179347602 54405440 58309127 73757268 115893418 38775982 85139918 74678081 174100915 87464897 73066591 17887548 23929981 33546561 25618065 28538130 31194682 49473639 25467738 32771198 26349925 41663562 56041201 73366676 149732955 29589727 61486802 137644783 123178766 156196386 93563171 35099395 CAFFEIC ACID Caffeic acid 97928 CAFFEINE Caffeine 2140256 1105693 1025365 550964 736186 1514481 2343095 1120608 324308 745177 467591 CAPECITABINE Capecitabine 385921 92126 441059 CARNOSINE Carnosine 52673 50567 C-GLYCOSYLTRYPTOPHAN C-Glycosyltryptophan 2301086 2476803 2961651 3526060 1568553 2237131 1924956 1192550 2437633 2806277 2011251 1547860 2041265 1889555 1853365 2095468 2647647 2408603 2263612 1920133 1427435 1632355 1890787 1381145 1540652 1332108 2663074 2057598 1959218 1359553 1827523 3355079 1805884 1967335 1071642 2134513 2695215 2916719 2882677 2488557 1523918 CHOLESTA-5_7-DIEN-3BETA-OL 7-Dehydrocholesterol 41342 49274 119619 45558 41064 18606 90309 25647 48336 74660 27552 27496 48230 50095 30713 53097 71416 33967 80915 79388 36855 124621 51380 183502 40332 77077 124961 58470 124788 48736 33173 39900 35878 36375 CINNAMOYLGLYCINE Cinnamoylglycine 7846166 4836910 5813267 4827764 4733962 4953072 5811066 6792903 3864464 5140194 4661322 4748827 4307356 6498644 5244571 7396871 5404140 5017094 3612559 4897503 6904707 5441183 6429130 5072803 5422238 5686160 4788097 5803351 4219191 4693152 8693757 7527894 7276774 8255024 5472244 CIS-4-DECENOYL CARNITINE CAR 10:1 593889 617574 647798 494489 585223 402275 522730 516022 702718 403398 420012 274679 350928 341076 476830 558390 823306 452566 314046 833176 591779 516057 599489 499857 385230 551241 535741 628974 406966 361321 294491 400306 372747 343469 571126 399524 305512 CITRAMALATE Citramalic acid 49580 89704 168664 141310 32824 1451666 41891 1218386 CITRATE Citric acid 116604 CITRULLINE Citrulline 2628942 1733675 2401222 CORTICOSTERONE Corticosterone 2822950 3990165 2249950 2864435 1557955 1415197 1439564 4061300 3195437 1398285 1779987 1941083 2341553 1652539 2624638 3405969 4062555 2590515 2054411 2948390 2395467 1682854 1577442 1239456 1307144 2178616 1528875 1869461 1037832 1139372 2400704 5451480 2933810 1961614 3594041 2772821 4024629 5024205 2737302 1075165 CORTISOL Cortisol 2738472 1757988 2430092 1820045 1788339 3243342 3001792 2921276 1991152 1519349 2420037 1220510 1911624 1874943 1308419 2497750 1191173 2910325 2526319 3019885 4064733 CORTISOL 21-ACETATE Cortisol 21-acetate 662275 179050 534516 486999 868842.5000 926483 157168 171387 479105 625032 563592 502147 637874 203943 611342 205001 325176 337249 763564 CORTISONE Cortisone 1066287 877808 137757 95663 200241 435935 135439 777212 436578 127985 919094 202868 998302 1083175 370969 886718 109117 COTININE Cotinine 15862 36429 32153 21114 28975 22154 34582 23815 32521 12625 61861 72319 16658 21023 22486 51713 43791 88044 CREATINE Creatine 53290183 38158584 48108616 69102930 38157155 39962567 50844933 52079798 58907030 65635016 60753085 49700481 38876226 41851959 46728710 60821905 58071863 72530284 46431970 68398145 35913152 45029014 35034396 54969385 46972075 31039926 76676827 40194564 50110978 36598548 48671834 50848643 63010351 73223448 24750799 63917018 78860153 70254642 53156586 64653549 50433390 CREATININE FROM COMPLEX Creatinine 673472 421616 513279 236267 384684 364223 275884 670265 276294 423820 246008 331997 327248 469765 352791 288571 190721 225541 CYCLOHEX-1-ENECARBOXYLIC ACID Cyclohex-1-enecarboxylic acid 22364 40745 29633 94401 60340 19058 53346 CYCLOHEXANE-1_3-DIONE Cyclohexane-1,3-dione 159181 108791 217273 149181 140332 165034 91480 167691 130958 157838 126414 166462 118464 95964 94946 253471 80904 151150 168545 130407 105462 143927 112652 161030 135478 221833 159725 117245 121841 85724 176268 67049 137569 102785 93055 193105 222300 168850 210858 CYS-GLY_ OXIDIZED CYS-GLY, oxidized 49701 42495 42372 CYSTAMINE Cystamine 18175 CYSTINE Cystine 4380368 3886152 3350715 38337 21536 4104896 4210213 3266486 5158085 4083667 74478 3408842 4252145 4343546 34540 4260611 2816945 CYTIDINE Cytidine 8014413 6578818 6836442 8851845 4348923 5669829 6777037 6208862 5595326 11905433 4821800 3792517 6555439 3969461 3879860 4792096 8089902 7792370 6347428 5837447 6524786 4779669 5137408 5554715 5419124 4523319 6524271 8142262 5554769 5408768 5634196 14264029 5126334 6246014 3142310 5593176 8513319 7141118 9450791 6366307 4721396 CYTIDINE 5^-DIPHOSPHOCHOLINE CDP-choline 16245 20895 17271 CYTIDINE 5`-MONOPHOSPHATE CMP 16095 15949 DECANOYLCARNITINE CAR 10:0 640724 424797 283610 752309 51068 149686 285994 608229 492855 302223 300403 331373 292181 447246 239122 586180 DEOXYCARNITINE 3-Dehydroxycarnitine 37778 34312 65076 DEOXYCHOLATE Deoxycholic acid 24278489 22626336 16155859 43310170 21374531 65088628 28320626 16758914 18812126 32168702 48478475 4394979 DEOXYCORTICOSTERONE ACETATE Deoxycorticosterone acetate 1314628 1111143 1399069 1142890 1184053 1059875 1332066 958107 868043 690466 974126 1046381 DEOXYRIBOSE Deoxyribose 158082 404562 194294 150523 403631 224104 181857 203883 179761 192500 188693 142610 314644 204883 144214 162023 124495 43516 92142 227636 102416 223069 90333 DEOXYURIDINE Deoxyuridine 912992 771443 1578055 839705 702485 562474 886468 750586 1073545 784884 521247 521442 567855 780302 741367 874767 524105 1310764 1047894 450138 1118846 623247 736666 973284 858678 2092635 1066404 1120661 935943 964377 482940 814299 1049672 1033861 419515 1010175 1093819 1344139 1502126 978761 930299 DETHIOBIOTIN Dethiobiotin 47935 91213 D-GLUCONO-1_5-LACTONE Gluconolactone 15575 31986 DGTP dGTP 45843 30937 47477 36774 39913 39289 68189 50959 40259 46291 42796 36539 68320 56659 55384 40582 21108 30339 35096 44087 20582 44926 22781 46365 68785 49969 71946 65957 72810 47390 DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) 600738 358005 195353 469132 293987 1148273 351358 405506 497953 412870 263530 126598 1111829 294863 390766 166795 442740 1160794 1946881 1857269 668300 1205908 DIACYL-PHOSPHATIDYLCHOLINE 34595043 156397903 54229263 122263571 27930796 91974873 63150884 27482804 46730305 19417456 40470994 51347670 100661073 22403542 133794264 69794404 49548028 30571191 114889922 25099993 16351527 41921915 132023495 44939335 47137671 132894548 36276779 77298826 97779097 DIETHANOLAMINE Diethanolamine 29664 44166 74066 109213 53429 115898 103895 90285 DIETHYL AMINOMALONATE Diethyl aminomalonate 106877 118391 89527 59205 45602 151150 103095 123377 92760 77135 95467 61695 66785 105464 299955 322836 DIHEXOSE 726365 384305 842491 394988 322497 474923 387247 515525 645440 1192570 943724 1094625 774348 890834 1033608 929469 1564938 1385133 1129137 1367204 257508 358604 590851 369303 446874 708198 706672 415758 481963 273204 559045 422116 827941 918769 569944 930418 1015327 1177948 8872765 1172803 727684 DIHYDROFOLATE Dihydrofolic acid 110512 54331 42229 38953 51233 39075 18774 28165 71524 33484 36534 29878 14926 51673 19705 DIHYDROOROTATE 4,5-Dihydroorotic acid 24454 20735 20577 25349 20831 22177 32818 38624 25378 28406 38252 20338 27596 16340 25669 24530 24362 24037 22204 23848 22399 DIHYDROTHYMINE Dihydrothymine 2560031 226960 1359817 1148317 983564 906798 1924851 1989093 1223590 346449 1726803 1044178 215435 2318946 1395582 2975832 1712292 1597853 1616167 1305385 1755325 1783082 460269 1744917 1319213 1253187 2342425 867338 1180559 1232715 1151695 723171 1818213 613375 2249844 1096851 DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (???) 24800005 72780597 11092384 13339031 22218653 123383796 24947308 19350443 9236967 11487390 28717445 15666711 42138454 29013355 18369496 31185240 29505745 18343648 13670391 13825177 41136797 54391760 13725323 19249368 11190949 30663096 15107824 32786940 28738150 37621685 7316462 11044872 25419761 20024141 5176194 37308342 85349547 16355984 9904219 64522725 DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY) 231122066 209875383 279948043 247928953 9933743 8105851 297111836 284697673 205667601 13584689 261329187 240275626 311285489 13436888 227844911 251439710 289261605 244107952 258195501 9420465 294121547 215209055 273853774 268048943 310353622 311997052 258035191 296930529 297430041 262919750 275405030 281373104 209480065 281443820 263546726 262295321 244417478 245880581 231684763 304878892 315354371 DIMETHYLARGININE Dimethylarginine 3599958 7190447 6901592 6220575 2508289 4055730 4395904 4442430 3598407 5007676 4936280 2087964 DIMETHYLBENZIMIDAZOLE Dimethylbenzimidazole 262850 364802 310705 193544 81649 382845 315485 228330 215974 168382 170722 204670 154983 151486 182436 109715 171686 63230 109155 DIMETHYLGUANOSINE Dimethylguanosine 810337 1014030 993196 1273844 824372 751994 736993 713386 642321 1401614 697917 669923 698212 856589 504122 795333 615464 1193754 1284276 604131 408420 549157 513273 723647 672386 551118 626910 601064 659463 462667 739729 1065239 922090 1327544 415747 890801 1068834 1025883 998104 747264 612555 DIMETHYL MALEATE Dimethyl maleate 107453 84540 37781.5000 136589 129858 332684 198323 64541 56308 87399 150386 91163.5000 119270 109845 96369 61971 154068 111217 98921 96819 142379 59647 65909 39117.5000 288057 231130 239729 87992 195985 170853 309479 197013 149481 DIMETHYLXANTHINE 794686 1997640 3713226 3403451 2057078 1802772 2747629 456548 375349 1474087 293168 2601280 2524049 402674 308244 2997372 472385 1872268 1779504 351207 382300 529772 97550 3220791 519255 428122 1719068 467858 4146263 874223 571638 5472584 2139550 DIOLEOYLPHOSPHATIDYLCHOLINE PC 18:1/18:1 478903748 589274495 205605115 127951414 642642454 111433309 183228548 140433340 198084270 508737408 167456250 272919243 302328335 127395201 168917579 138548590 179950353 280050007 515421070 227920623 194036584 138843814 152198750 190610315 234327421 246115601 524280501 137183857 247217111 198267769 153825672 269220848 205207690 549336517 669753986 208808198 171503835 172653506 212252107 225768916 243551832 DIPALMITOYLGLYCEROL DG 16:0_16:0 924930 238716 1089521 2288837 822590 85367 373380 2496818 550176 392906 900095 597940 147158 234858 875229 235502 280379 2158738 3346506 155000 3925186 306103 387336 1863797 3603327 3123440 5591064 383760 421979 5355927 119307 843978 574790 311099 555857 1067871 4635970 234715 424173 1343918 927989 DI-TERT-BUTYL DICARBONATE Tert-butoxycarbonyl anhydride 185546 46082 65184 168002 74515 121922 97485 DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE LPE 22:6 5257743 8570502.5000 4808613.5000 9656515.5000 8798542.5000 11137179 10613912.5000 8568529.5000 6737735.5000 10508700 6775587 11474490 7080327 10391590 5493070 4256709.5000 4600497.5000 6805820.5000 5595008.5000 7174993.5000 5300769.5000 7874466.5000 5691247 5249920.5000 7155990.5000 7046525 4074062.5000 6282242.5000 8132635.5000 5543683.5000 8784726.5000 11455756 6711619.5000 7367845.5000 7968158 3028458 3124005.5000 3173949.5000 5723109.5000 5499470 7277981 DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE 254815 302143 412584 1057571 471501 434941 367894 362767 355279 252157 DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINE LPC 22:5 1055866 2965530 2408575 720594 1825428 3752826 3841382 1514603 490889 8125974 1162226 1577402 5623605 2951563 1102568 1525265 3142739 2849839 486054 681002 475202 1925748 1284352 619234 1329858 977124 1374628 321519 1768438 2506764 4112670 2012754 887662 2486659 816515 398179 1238604 2212827 670062 644045 2334093 DOPAMINE Dopamine 263571 151831 251993 470657 25057 485593 227793 51410 95975 327183 252978 306705 360664 320890 EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE 39437297 75174513 83851870 42385490 75322491 40598982 98403055 39257342 2039311 194117320 66331456 79097326 102824710 86240171 57061672 50079242 76752672 139645437 46861010 26249714 42327428 65047189 52292592 4297811 68032699 2623418 33330423 106198060 80314746 90847775 103413613 5816868 73267543 86623679 3035854 61885530 62314029 44437335 65453980 68395684 ENKEPHALINE_ (D-ALA)2-LEU 305565 287454 302353 165546 165608 214201 EPINEPHRINE Epinephrine 4568817 7353025 4943998 6009365 3498365 4926821 3124315 2345877 6692442 8275361 2581760 4022859 5099252 2691144 2245258 9568286 7211135 5370522 5343202 4070833 2613153 3886578 3094384 3847180 2013889 2473758 8155156 2335055 2241778 2635087 3312006 2641748 5801091 6999064 1724404 6765284 5431574 6813252 6524626 6195398 1417061 ERYTHRITOL Erythritol 982022 1049129 936848 1054974 749258 1128029 751160 819965 867652 849037 1035847 1026787 762152 834420 926098 676477 941423 769989 ESTRADIOL 17 ALPHA Estradiol-17alpha 1356469 820170 996797 614467 1764146 1212125 672527 1271195 951725 1023048 536402 1170349 613470 ESTRIOL Estriol 63982728 54077134 58741714 65556527 73247540 62976412 51686768 59851158 56263014 59716277 71376526 78484851 69718593 58277972 80280721 56606317 63957001 64310190 53566215 64929045 49386227 56173339 63000913 60181314 67930818 65607206 58084437 56559061 61302357 64484171 57150898 59502103 51701371 57626043 84423502 60063617 57787200 45864834 63257308 54539407 69786160 ESTRONE Estrone 1171507 854131 1439546 841968 1267682 1123470 816757 958314 1054693 882470 1091294 1058304 1358692 1252013 1702700 ETHYL 3-INDOLE ACETATE Ethyl 3-indoleacetate 154535 442459 155024 53520 112449 112984 15447 83389 130185 ETHYL 4-OXOCYCLOHEXANECARBOXYLATE Ethyl 4-oxocyclohexanecarboxylate 5777340 11205867 5291310 8268770 5713076 4745560 5002628 5143141 4297352 5110366 5737671 9037291 6696763 5428526 10801796 4875575 7026544 5718444 5820585 4860581 4799851 3827969 5715487 5433946 5292852 6351044 6264744 12631070 5684233 5285308 12904416 5787278 4178664 4957068 7829989 4962257 7342063 4574032 7135928 4483668 6991456 ETHYLMALONIC ACID Ethylmalonic acid 769385 389284 863503 523025 992430 243792 637675 331519 531185 248532 397503 736599 594564 664230 1287263 521448 448990 111570 562547 556678 455226 667441 1137932 765287 612523 1367111 1016980 371139 FERULATE trans-Ferulic acid 1251506 1878668 1146515 995118 1095861 1149633 1366811 1162237 1233211 60847 718107 849913 821592 1851622 1040551 1061177 817188 769790 1597231 192951 1221661 1583037 778957 1807874 1419506 1094585 137988 1009908 2251959 1388323 1259516 1396519 1072621 881370 2150799 971064 579959 FLAVIN ADENINE DINUCLEOTIDE FAD 29668 28078 13734 11144 53774 12063 FOLIC ACID Folic acid 857147 975221 602535 2081310 253707 618237 647029 979943 361626 1046810 839972 710612 200412 83133 290060 532118 1499165 940946 1292731 266934 872640 604834 1142812 1670152 798336 FORMYL-L-METHIONINE N-Formylmethionine 132119 FRUCTOSE 1_6-BIPHOSPHATE Fructose 1,6-bisphosphate 22090 19077 51721 61444 15135 16859 20752 18884 38261 11609 20291 14774 21818 11860 30825 21458 21648 GAMMA-BUTYROLACTONE gamma-Butyrolactone 15809 84208 34337 73296 57602 83727 GAMMA-GLUTAMYLISOLEUCINE gamma-Glutamylisoleucine 13260304 16727759 18034859 20479171 12672064 13029530 11208955 13226308 16196197 24679408 16888320 13991909 13305675 16512397 13081141 17903148 20820697 20751248 17893082 5670632 7516624 6236869 8438434 11310435 7379719 9042533 8218370 11642189 8492801 12164323 12026562 16014970 19808826 7465748 16794573 16085094 21551096 21683434 11898019 GAMMA-GLUTAMYLMETHIONINE gamma-Glutamylmethionine 3810407 1269229 485928 3329918 5882644 1686088 3610429 2991695 4441539 2296748 5082008 3334208 2895585 4942908 4348294 42419 900459 227340 1051173 225104 2449030 431962 3115478 70453 2162508 2063005 4453941 3562402 2124754 546735 GAMMA-GLUTAMYLPHENYLALANINE gamma-Glutamylphenylalanine 4148816 4658644 5826980 5252641 3428409 3671726 3213785 3517597 4421232 5487284 3914935 3577183 3374630 3970852 3482533 4730434 3031376 5727724 6020372 4345068 1996332 2912175 2468649 3594443 3075025 2958758 3103394 2784462 3343655 2246992 3125247 4290001 5209741 5763614 2667026 4643421 4991066 6568586 7251225 3812141 3839827 GAMMA-GLUTAMYLTYROSINE gamma-Glutamyltyrosine 3251132 4528796 4405492 5197264 4211205 3106651 3292503 3383173 2242310 6396322 2965829 2978480 2778082 4221213 2216431 3383610 2156623 5230404 6064260 3065312 1755819 2087559 1780101 3438874 3158840 2289905 2541742 2634563 2740661 1967361 3690954 4284082 4255290 6285009 1820002 3678136 4118567 4272981 4789495 2933597 3021514 GLUCARIC/GULARIC/SACCHARIC ACID Glucaric acid 21030 15425 23235 GLUCOSAMINATE Glucosaminic acid 21969 GLUCOSAMINE 6-PHOSPHATE Glucosamine 6-phosphate 53351 27686 51917 86898 92389 22321 27402 41650 86640 29880 38667 49009 84939 130348 117954 GLUCOSAMINE 6-SULFATE Glucosamine 6-sulfate 16221 36301 26827 GLUTAMIC ACID Glutamic acid 1626446 836165 1821735 1521402 1274498 1770407 1456254 1550978 1416751 1093309 1051597 1351686 1239475 1332651 1422779 1069137 380812 11738 106884 1849559 GLUTAMINE Glutamine 6303377 7198052.5000 5012551.5000 9179483.5000 6248412.5000 6679574.5000 7733946.5000 7894860 5515863 6853862.5000 6021842 5566054.5000 7152243.5000 4653743 4400162.5000 6504102 7137443 5584007.5000 5862217 6842950 7962281.5000 7384578 8411974 7739187 8463463.5000 6795432 6430686 9069830.5000 8463533 9536615.5000 5555491 6727880 4273211 6478598.5000 6563149.5000 5760851 6286183.5000 6567426.5000 5492850 6544734.5000 5922644 GLUTARATE Glutaric acid 1387844 191131 48735 4537739 385780 403128 2550019 2827212 4120857 1551410 2239360 78828 3421223 5259286 1038966 3895065 474389 GLUTAROYL CARNITINE CAR DC5:0 842475 182231 673261 1426632 727434 973232 2459404 1220743 1529699 1233480 1130228 2399864 1553737 1262416 1765565 391967 696242 203169 311973 669478 588674 1491583 1212638 1658696 2595588 176964 646085 GLUTATHIONE OXIDIZED Glutathione 543179 651005.5000 1044409 1272006 337943 1756042.5000 380479.5000 661488 1435197 1040831.5000 264513 301762 539152 396682.5000 585362.5000 271515.5000 382110 370182 828178.5000 683764 385990 689868 283912.5000 439839.5000 1314799 863145 403543 360714.5000 877780 1104193 GLUTATHIONE REDUCED Glutathione 12313 18828 GLYCERIC ACID Glyceric acid 107179 181078 155460 218593 142258 25119 13523 40820 113798 44933 38775 104826 932914 184394 60788 785207 622983 667020 134900 89018 173072 52154 70560 82795 136458 65972 392197 GLYCEROPHOSPHOCHOLINE sn-Glycero-3-phosphocholine 1977467 2817200 2154070 2399783 3168038 3313767 2736606 2805533 1106147 1955333 1926992 2202850 1031330 1645980 1513635 1123776 891101 1778535 1463228 2631828 3965133 3171247 3504594 4253802 3411327 2972410 3520695 3280396 2814849 2764918 3594007 1630958 1888411 2140814 2055686 2165953 1802257 1874677 1737984 1569940 2221980 GLYCINE Glycine 324738 255697 287398 221538 268324 283304 256541 263986 239429 127987 198121 232332 210791 194024 251989 214519 278479 166948 151956 179996 366522 373573 405455 339986 376565 334938 318605 457355 389134 463918 275937 342998 181602 197553 199392 262662 229711 56619 197391 239698 186213 GLYCOCHOLATE Glycocholic acid 5256929 8476640 6287103 5617595 12258293 18522793 6096314 13940541 8599493 8709089 14820029 13569239 12117965 11861518 14829501 8697171 6243618 9688645 11341265 7686871 8230590 11380090 11020981 9846879 10161282 8245829 8142838 10175376 13860925 12352990 11939190 6628249 11476707 8980016 8848420 7895061 14875754 17590552 9545466 5500699 39548965 GLYCOLITHOCHOLIC ACID ETHYL ESTER 243518 116398 81857 108208 154011 115327 87737 85438 114021 147148 GUANINE Guanine 6155881 5613469 6788871 5430911 5777892 5129394 4562260 6164430 5439274 11092572 8476405 9008036 8058225 8045502 8270260 8525186 6936747 11460920 11775004 10416955 4150876 4581989 5355337 5523353 4928992 3805376 4747589 4246866 4469329 4975523 5849904 6845330 8752385 11922513 9975049 9746250 11001268 9772386 10074486 8267787 10756336 GUANOSINE 3`_5`-CYCLIC MONOPHOSPHATE 3',5' cyclic GMP 22977 17012 27833 GUANOSINE 5^-DIPHOSPHATE GDP 18722 49578 GUANOSINE 5^ MONOPHOSPHATE GMP 14016 HEPTADECANOYLGLYCEROPHOSPHOCHOLINE LPC 17:0 4890176 8751328 7930079 4276225 6725728 9017289 8392631 4814136 4068190 13796566 4808779 5556671 6837157 9955862 4252533 5057671 5543173 8100490 3378920 3707218 3316095 6658836 5196660 5464829 5697584 5109364 4256807 2608132 5969557 8584274 9135766 6492805 5210194 7722413 3220596 2723017 4726408 8058159 3288726 3319699 6477606 HEXOSE Hexose 372171935 418009725 402216528 372765810 324409443 376588427 340159138 286976657 432212781 544216111 268977953 350701749 383572180 287028729 245193817 413690014 539972749 420245165 419126446 351169649 293923390 299299526 265794694 351451666 229570677 300347965 386543898 284715029 245030867 235407127 345274134 302322913 458124712 433568960 249392791 457320838 418604910 486744934 597243624 367267115 234226481 HIPPURATE Hippuric acid 29957377 16874577 33456842 28802729 6175081 13431391 5625900 15610364 24342891 32129173 14906720 13002272 15959048 24030271 18208759 19250677 31821470 23605717 31403992 16666315 7460426 6796927 10323545 6139874 8511762 9428006 23823562 514522 9663058 4708271 5845415 29614915 20965016 24334557 15048024 26431667 37942530 48248864 30222294 50974617 19839636 HISTAMINE Histamine 308449 244369 855091 221440 148175 222921 121007 169560 289064 475294 212604 244357 154790 201553 471704 116210 129256 321282 194606 253715 131671 310388 294430 183849 158938 159215 237118 144430 172535 180079 442674 267643 274569 223582 184664 249933 309295 405078 468537 259362 239023 HISTIDINE Histidine 69645 102252 42754 124324 100463 109780 84149 123716 117288 414134 119865 76102 134846 98930 53688 71776 123797 44133 164389 89753 101716 125670 95796 55432 58749 HOMOCYSTEINE Homocysteine 4534758 4644322 4356320 6256523 3530904 3930065 3678827 4118131 6612514 8362800 4781914 3600904 4181444 4016580 3545929 6019544 6334026 7294901 5986837 4817195 863305 3548391 3146658 3736979 3094877 2646848 5238339 3228379 4052533 2455159 3522891 4411477 8121880 6274508 2800140 6888238 7426476 8047597 7245345 7645419 3709657 HOMOGENTISATE Homogentisic acid 4088029 4745180 5638002 3357189 3456910 3908464 3462685 2974416 6387680 4827412 3210678 3605695 3012265 5510101 3357674 5671236 4045967 4184702 3899631 3969820 2914767 3383899 2679357 4194406 3944987 3644149 3894818 4060270 4000173 3611409 3265988 3840700 4761791 4323685 3501230 4265343 4158439 4955134 5882905 4549465 3224799 HOMOSERINE Homoserine 885675 1274351 1187962 1148795 1336337 1990635 729064 1189497 1058895 1365756 1061754 1303159 1249618 810884 966768 1066889 1394455 878034 881160 1115647 1179990 1320398 790180 620553 1124920 890142 1837801 1339058 1034365 1192495 1246738 828463 1006535 817890 935392 1588284 HOMOSTACHYDRINE (S)-Homostachydrine 58785486 70579371 68747439 48658661 37481372 46495864 43730678 60911013 79171445 55820997 53745210 46630537 58785901 64679729 73334557 62903759 64270638 63041867 55584202 49699705 48405295 40167618 56695674 44565770 47269333 56930821 50925619 26429441 46381487 42110117 68505437 73467010 55831784 66786125 60432393 61005185 76765361 77631965 72340503 61990326 63047798 HYDROQUINONE Hydroquinone 64141 47638 24206 93152 59461 48182 HYPOTAURINE Hypotaurine 15800 16135 13809 INDOLE-3-ACETALDEHYDE Indoleacetaldehyde 207738 288499 939268 258600 132318 203312 143879 315215 368700 389203 210856 221986 317899 165490 429961 805279 279899 264199 179071 206221 266892 134014 222473 384517 265172 385975 301757 178031 292434 409870 637886 266034 354336 INDOLE-3-ACETAMIDE 1H-Indole-3-acetamide 114931 59608 114096 57491 74107 INDOLE-3-ACETIC ACID Indoleacetic acid 2214767 2163048 8216900 1404992 1025489 1881117 1174529 1779425 1999120 2848261 1139393 1277363 2101362 1590710 4534231 2669152 2214972 2757017 1581367 1316511 1496783 1555709 1477713 1250102 2177117 1899790 861528 641632 810043 2934241 2199779 1804668 1942431 701366 1449418 1834464 2189118 1759823 1820369 976295 INDOLE-3-ETHANOL Tryptophanol 14251 94372 20548 76556 25767 25866 42033 136938 141161 37645 44512 143378 58730 28424 24694 42089 24364 INDOLEPYRUVATE Indolepyruvate 13514981 20083003 18391270 22287193 23318042 14207224 24170948 17456460 14692761 46440934 12571231 14787734 13802236 23138567 10114377 22053075 17537287 31434295 38579224 15846664 12129735 10334519 9176276 17563413 13896743 12395889 11851575 13573739 14766334 11940161 15568306 21090740 31568893 30043341 7775775 22913813 28312848 28337549 31939460 26134320 15893535 INDOXYL Indoxyl 818778 536456 1172692 627119 320662 357004 306332 619643 857312 2568783 583893 378311 358496 533353 912510 342298 615111 488972 612154 442563 298227 235531 624845 457080 474603 424769 200221 300774 290553 565649 1188434 553945 563469 377657 630144 555930 1120887 433511 1107105 457948 INOSINE Inosine 333270 513948 578669 2939103 1481682 296529 2701624 456488 213328 820945 345793 2304933 473598 14237563 484536 386589 734545 381415 204263 2591521 1750728 560002 108414 3398514 454000 266274 598675 464423 343409 565619 243915 947926 61620 212756 INOSINE 5^-DIPHOSPHATE IDP 44559 67411 17261 32789 38128 25641 122249 96285 87422 21469 82360 70311 14391 62157 128771 83344 23803 INOSINE 5^-MONOPHOSPHATE IMP 17455 33308 ISOVALERYLCARNITINE CAR 4:0;3Me 23823004 23317929 27210163 26664687 17007465 16599625 16412240 22930500 21618398 63349078 33987311 19464142 33114082 39931867 20187192 29152474 17676124 73347457 42703769 24341422 9282991 13529300 23591842 16174441 25605694 28218876 19152627 16736076 25694061 17108821 21488286 33923188 30883900 45554602 13495633 22349601 60493721 35963745 40284358 28894327 22880827 KYNURENIC ACID Kynurenic acid 2133571 1060675 2491539 2285707 334407 980437 618576 1957252 1457126 960841 865489 1901886 1690622 708546 1360962 1688659 1453412 1442068 1058923 668000 1114793 1148902 792417 1125213 956311 1811787 699588 1523292 512229 962546 2812852 1303248 1870922 325180 2316910 2793008 4148195 1088269 2563292 1615102 KYNURENINE Kynurenine 5665309 15128850 10611633 20710048 11096865 11563244 13007909 14579781 12926812 12179265 22775256 12660785 15663191 18925428 11376077 10480867 11950398 17218404 18998116 10502553 11880748 12143123 25587200 14108291 16075752 24718866 8495100 17848195 24080619 13039507 8129168 20630632 7254875 16845532 6761412 17037300 28310740 14792120 12931526 10090347 16849049 LAUROYLCARNITINE CAR 12:0 676319 633255 506541 751412 625118 662077 818061 633953 769750 1071070 665892 580196 416158 617805 497109 552659 472109 1127756 517790 636601 589594 993542 727568 720481 788339 863187 465302 973643 767650 684794 794144 980034 684215 539905 562800 535244 734081 967743 929669 489349 LENTICIN Lenticin 409355 763536 158102 482888 432522 374531 2037351 342408 128433 339155 228109 216340 1793365 149140 151306 794932 LEUCENOL Mimosine 75660 48884 152425 20450 157397 114257 44265 111942 68288 72178 50210 116660 137939 142456 73677 89463 35629 62147 183994 114586 50346 73269 59955 127876 159928 65028 109815 75145 LEUCINE Leucine 1157543184 1252717875 1220199804 1317285191 1228383316 1083811312 784317926 930426381 1212896042 1834431771 1296833727 1204790931 1205275004 1144730283 1079602921 1350658383 1239321528 1428994665 1532785225 1372205263 539319302 601905164 668555966 664838230 768955540 645903010 963255642 610191797 640531842 725787235 1152389802 1135621752 1380478033 1422010988 757385105 1505744616 1357783025 1498130387 1526753040 834944375 721530003 LEUCYLPHENYLALANINE Leu-Phe 896948 466828 251138 808817 863511 727520 643996 400278 789982 83785 109776 619219 186499 150309 LINOLEOYLGLYCEROPHOSPHOCHOLINE LPC 18:2 59508588 44082708 58617640 38480147 43683831 44020970 46210805 45623123 41936893 48479745 56200357 54249516 53816346 54770517 54871729 59635981 64341033 62670295 53899977 49344268 49671141 49248834 56233985 52874098 57165427 56333204 58338633 48588842 54381866 51801991 49952668 47597487 57988567 55354796 57701138 43979664 59546866 60603368 60924260 58012217 66215452 LINOLEOYLGLYCEROPHOSPHOCHOLINE (??) LPC 18:2 252364 239263 268435 153223 169345 146538 212765 275885 240712 379638 LL-2_6-DIAMINOHEPTANEDIOATE 2,6-Diaminopimelic acid 26322 L-LEUCYL-L-LEUCINE Leu-Leu 103923 133692 149690 785812 485727 102206 91991 238715 143739 62307 71953 608579 537554 1665950 1954812 147078 125402 104708 111794 305988 96546 129223 846521 386380 668476 50502 915195 1397716 242079 656714 646034 984650 1470241 920854 LYSINE Lysine 1874191 2002690 2038317 2344050 1885657 1958489 1979348 1760580 1608006 1838403 1651765 1565699 2071010 1357255 1579797 1829568 1706925 1392574 1838230 1796102 1704529 1685441 1803587 2180399 1666105 1919063 2367750 1644341 1522430 1601175 2713869 2797236 1139129 1630136 1108574 1667325 2083889 1669003 1409683 1619611 1123032 MALTOSE Maltose 27487 31559 MELATONIN Melatonin 873723 1093751 1226314 1657698 1221265 1343739 1601060 268583 1395990 1179821 1079992 1132093 1309248 1543572 1316200 MENAQUINONE Menaquinone 86556 87056 70451 109592 106931 59687 77289 81665 64503 79385 107738 87597 97838 49989 90501 METHIONINE Methionine 133481309 129620892 150641356 121167693 127221680 111101141 98718781 134252168 125806913 250761988 185414936 197265612 172931042 173110308 180955413 185837810 148222671 256159450 263872900 229151555 91652920 99512711 113659558 112446031 109085104 84744402 103685643 92887444 87936609 103656678 131749458 150689477 223964736 267064637 214744537 227259991 247475177 233463232 237914274 193778668 228827398 METHIONYLALANINE Met-Ala 1273000 932599 816417 715451 1095061 862568 599903 1264342 1059106 908845 710953 833170 754595 703350 522145 977635 960025 979332 921256 674384 690060 815168 753162 911888 1071407 672587 729110 1035804 805093 506741 1017914 1141330 1113333 961958 408006 1049174 1018470 1351858 1333861 1089263 608452 METHYL ACETOACETATE Methylacetoacetic acid 570809 1392089 2060464 631108 752463 503987 763033 910377 688309 513414 377681 533436 649150 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 438845 291841 563686 629425 571061 575279 697909 565132 905415 668501 718466 773485 438495 METHYLGLUTAROYLCARNITINE CAR DC5:0;3Me 585095 653656 528810 617209 422150 839668 702758 523571 93982 509190 353569 353918 338054 135286 302168 350125 226526 462559 595216 551375 561167 270125 780170 629101 487481 508522 METHYLGUANIDINE Methylguanidine 117845 132536 167665 365276 328319 151262 321329 170321 174888 247003 22507 49252 119681 64171 197401 217619 210058 246099 293065 265148 224368 METHYL INDOLE-3-ACETATE Indole-3-methyl acetate 3628700 3791547 4115896 2096186 2484824 3043937 245010 2090234 2154173 3129326 2008235 1995057 1569888 3142345 2370712 5909473 3307123 2989436 3495698 3422372 6987557 6099795 7518651 6668952 5442274 6203779 7295317 3386680 2915261 3927347 4471429 3425285 2728252 4793001 2475554 6340098 4779409 6523967 5400408 6630494 2473562 METHYL JASMONATE Methyl jasmonate 1879155 943220 1519714.5000 2015180 1011856 844348.5000 301080.5000 1671426 1677388 3186636 930341.5000 982738 1357360 960144 738501 1979305 1070699.5000 986146 1373981 817208.5000 1198078 2034553 967525 1386794 831395 1568263 856140 773324 1191825 1265999 1838144 1797401 1954453 1043458.5000 1617885 1364791 1624630 1766860 1612036 1573477 809303 METHYLMALONATE Methylmalonic acid 62937 METHYL PARABEN Methylparaben 3962418 6224310 1106883 3230141 6546122 6194508 5109167 5121255 3277379 4517168 4127348 6428144 6020439 6927760 3471643 6105445 5553308 3127064 2200302 7030338 6133101 7128829 5683540 7925674 5758281 6964438 9162529 4680569 7160570 7772247 6123064 2662681 4403337 4736048 3583040 5887063 3993162 5278778 6484395 2352872 5072643 METHYLXANTHINE Methylxanthine 223979 136761 175153 132371 131644 208272 66586 139536 181497 139238 184970 88482 77076 42900 143852 71642 159054 270801 81256 131710 168458 187611 230887 208062 183456 MEVALOLACTONE Mevalolactone 1934021 1831962 2024278 2017912 2218271 2147247 1307104 1778396 1578029 1613592 1968868 1972074 1973008 1330954 2262120 1774559 1765311 1426238 1569146 1699768 1666064 2033969 2325018 2148830 2055580 2088994 2253565 1997030 1684702 2388142 2262317 2092727 1584006 1787733 2105692 1932560 1871850 1471314 1681720 1389029 1494474 MONO-ETHYL MALONATE Monoethyl malonic acid 331509 198113 92260 223930 177118 174765 331411 153338 251900 267227 274620 55868 195003 226144 105716 147416 183553 MYRISTOYLGLYCEROPHOSPHOCHOLINE LPC 14:0 6181068 6436209 6596823 6849641.5000 6852611 6714773 6218549 5022708.5000 4556243.5000 8728348 4447605 4527833 4493259.5000 7739808.5000 3360979.5000 6439149.5000 4241033.5000 6131759 4434498 3392889 4782867.5000 5223908.5000 5080778 5201776 4128493 4430051 6402243.5000 3861850 5557752 5765175.5000 6533945.5000 5448143 5140105.5000 5268937 3923522 3442659 4622988 6275776.5000 5501967.5000 5435284 4625208.5000 N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE N1-Methyl-2-pyridone-5-carboxamide 44343650 57566813 60637936 77371321 46420402 60763073 41151502 54233386 36438835 61610486 26497903 35118197 40758739 38757142 37115483 40661581 65703186 52618521 35347502 41433994 25424096 34425369 41205389 32432314 24599082 22689739 50316671 35545293 32807252 25564060 50803229 61187786 50139880 36983420 23040636 36813933 45524338 51061196 63949159 54982047 30432056 N4-ACETYLCYTIDINE N4-Acetylcytidine 1132887 641186 800274 852702 674239 457454 402040 877013 550850 784019 472935 313141 517226 602524 812760 522771 534648 1691552 2241460 373718 313994 507005 920037 1215412 761548 571532 1150674 975627 783873 608169 1142559 892291 544408 1234465 986189 1123636 849084 1188247 496898 N6-(DELTA2-ISOPENTENYL)-ADENINE N6-Isopentenyladenine 557807 398396 604891 628757 401172 549993 661640 331405 539091 449248 367643 529569 636860 514030 627995 723245 612871 539234 1158740 277788 318525 444522 478494 628514 655362 N-ACETYL-BETA-D-GLUCOSAMINYLAMINE N-Acetyl-beta-glucosaminylamine 454327 561376 537425 1113673 544858 617905 373260 360645 386876 512507 464485 693853 765193 776407 861128 396300 722465 N-ACETYL-D-GALACTOSAMINE N-Acetylgalactosamine 22054 18141 28374 24556 18237 21399 11446 18061 20047 17590 18303 14123 25088 32271 38131 38754 16986 18781 N-ACETYL-D-HEXOSAMINE N-Acetylhexosamine 773657 908275 1148321 586837 780338 791633 1170377 690830 614773 665154 482815 640488 703552 925559 700450 735290 509242 402921 589506 495039 536890 449339 657206 639716 624913 537594 565595 685293 502877 757902 971358 1053970 875726 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 13445 601216 149977 92116 115680 88938 226082 63301 44279 29333 N-ACETYL-DL-METHIONINE N-Acetylmethionine 365458.5000 460473.5000 420005 520247.5000 684675 297343.5000 324356 484863 589573.5000 452604 387868 347133 406607.5000 417228 340260.5000 398283.5000 916641 607118.5000 389744 282747 209501.5000 419066 271357 418889.5000 230537 308594 316893 383876 246647 287862 701738.5000 1214051 714022 1024938.5000 711011.5000 886058.5000 938248 790408.5000 883195 664895 N-ACETYL-D-TRYPTOPHAN N-Acetyl-D-tryptophan 1912288 1862450 3731935 2380837 1977891 2020032 2707566 2442589 1351205 1298435 2744538 N-ACETYL-L-ALANINE N-Acetylalanine 792022 746808 258184 1455166 938085 276374 666439 896045 1036740 1197264 378913 752442 273894 189291 1008441 1154844 1475497 1147962 2419987 227896 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 270084 499905 20379 486663 171738 218595 408176 203224 89079 266933 87039.5000 135508.5000 237892 370502 40762 498360 390019.5000 500412 571246 217242 213825 221686 221458 267101 111713.5000 423500 407816.5000 275773.5000 686242 244662.5000 267892 393372 211568 195246 91800.5000 106939 563028 590946 109914 545826 74704 N-ACETYL-L-LEUCINE N-Acetylleucine 4343417 3528403 4768667 6412099 3118947 3487030 2789680 3483920 10712316 9130662 4303674 4093419 5487588 6502493 4033521 5906455 6335058 6626973 6805652 4865631 2546379 2598393 1940224 2125464 2549506 2688833 4755256 2225711 4534361 2957028 2655599 8816205 7485064 6559818 2533288 5865296 6336802 8780579 7656425 7361214 3013873 N-ACETYL-L-PHENYLALANINE N-Acetylphenylalanine 1465679 1101328 1178307 713946 639041 868684 704066 1637832 2056600 939679 1411164 851231 1433125 1041166 1339341 2286116 2202121 2538150 1193535 272380 526187 588346 880553 1146744 1110054 824663 807143 92628 683265 2976996 1733578 2112944 742073 1410687 1859280 2538035 2669229 2589283 926052 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 55983 71765 24002 13175 24952 25093 43738 15329 N-ACETYLPUTRESCINE N-Acetylputrescine 34231 26573 61200 48712 25422 33300 24244 34753 17420 19953 40147 23830 28843 10436 10983 43169 30086 24895 28122 39423 20077 20311 23089 38589 N-ACETYLSEROTONIN N-Acetylserotonin 608422 527384 704968 604623 623883 656914 613971 510939 365253 529728 623608 396577 N-ALPHA-ACETYL-L-ASPARAGINE N-Acetylasparagine 88812 67373 33919 138425 88360 107564 72559 37564 98274 53486 85965 83539 N-AMIDINO-L-ASPARTATE Guanidinosuccinic acid 21115 N-CYCLOHEXYLFORMAMIDE N-Cyclohexylformamide 278566 256861.5000 816016 750784 258712.5000 112747 553638 492333 954088 881916 598042 433318 474871 616216 408097 354135 742993 588149 360616.5000 436524 234510.5000 394305 266473 280684.5000 349929 219877.5000 431875 332254 405334 820346 654695 447672 457900 667016 354620.5000 792244 805295 768187 595110 N-ETHYLMALEIMIDE N-Ethylmaleimide 97902 24055 58511 10204 26663 N-FORMYLGLYCINE N-Formylglycine 10649 NICOTINAMIDE Niacinamide 16387922 14862996 12706018 15906434 18776946 10910298 7483911 22602316 16487622 16102668 11739463 10487169 8668836 7517309 13764699 10856327 23374118 21566879 25556489 15976077 10947522 13247745 11376846 11379816 19125056 12836446 13937623 16076904 16804985 12831571 17297887 24928633 31104381 19204962 10745040 19961634 24657951 32041824 23613209 20827674 19798533 NICOTINAMIDE ADENINE DINUCLEOTIDE NAD 11575 21678 NICOTINAMIDE MONONUCLEOTIDE Nicotinamide ribotide 145682 14134 15871 88017 172066 110598 100739 195844 119638 26066 125821 84690 89286 106176 12680 88172 158913 74745 13564 36408 74850 18786 145834 107904 76159 156515 123246 135451 173229 110110 N-METHYLTYRAMINE N-Methyltyramine 1951780 1896171 2189798 2087841 2166401 2136868 1972832 2124835 1884160 1864161 2010909 1951262 2100255 1908533 2138375 2012868 1932669 1881327 1999118 1779555 1834049 2007143 2102643 2051098 1979909 2045860 1926456 2102021 2074596 1964176 1950153 2052713 1637429 1854067 1891585 1931500 1911468 1807279 1806704 1903274 1995610 N_N-DIMETHYL-1_4-PHENYLENEDIAMINE N,N-Dimethyl-1,4-phenylenediamine 25336 22100 17886 N-NITROSODIETHANOLAMINE N-Nitrosodiethanolamine 217750 477496 N_N_N-TRIMETHYLLYSINE N-6-Trimethyllysine 279034 251377 292571 397016 278516 252695 266368 398298 218812 315212 421594 318921 348155 453411 374639 310498 283618 289447 281442 365062 199947 282867 438708 481596 267770 232238 412152 514138 369126 314915 362176 203350 305579 343017 248706 278186 306330 209882 332852 372712 NORMETANEPHRINE Normetanephrine 3568618 4922923 4717646 2584604 2778886 2663188 2116642 2353609 6568174 8666908 3140805 4482489 4709837 3891483 3311857 6661789 8852131 5038597 5481190 4066839 2628593 2284256 2155230 358916 1740413 2375742 3471292 1840193 2365657 2641806 2025723 6470989 5304915 3473933 7599773 6712657 15147769 5675339 1542332 O-ACETYL-L-CARNITINE CAR 2:0 328964060 233367536 260351410 277318623 298421366 311877311 325507112 291796208 307812806 285523525 253172713 301211783 239200718 249509149 206757301 262605523 245118704 299612787 247072543 270033550 293686850 357842862 305974963 311029330 327383976 327685090 302882815 361760410 382367401 384962145 310174888 247885163 297383323 256791406 200369528 228878813 276918557 289983988 252696110 289829851 234187991 OCTANOYLCARNITINE CAR 8:0 1023819 753725 390948 1491599 401065 382976 495585 1224248 293177 677785 892767 445090 474533 450156 514286 1149248 307850 1166847 895033 OCTOPAMINE Octopamine 35440 OLEAMIDE Oleamide 112420 OLEOYLGLYCEROPHOSPHOCHOLINE LPC 18:1 27262948 35986767 32115077 22047382 30884537 44920470 45276805 30382438 20124838 50651519 24193637 31595443 36793873 40819070 24081646 31085685 33477838 38202029 21142496 22834227 18988281 31857563 29558660 24101927 31342523 28083471 30926557 18996126 35711022 38443061 40383257 36415804 27864727 36504417 22601960 16649844 30016388 37938393 23796485 23324050 39142682 O-PHOSPHONOHEXOPYRANOSE 19498 OPHTHALMIC ACID Ophthalmic acid 1328209 1018304 ORNITHINE Ornithine 136527 299176 149903 89900 471913 884491 393413 153721 152338 678527 720101 438372 185267 37584 302531 141939 142628 323324 698836 631229 30117 162962 303668 631536 128866 76508 441933 845231 160405 214127 413039 143037 149178 112424 148463 252465 408242 OROTATE Orotic acid 82975 142135 415799 107520 108220 132251 34176 28777 125039 OROTIDINE 5^-MONOPHOSPHATE Orotidylic acid 28538 60140 51172 27112 14254 21341 O-SUCCINYL-L-HOMOSERINE o-Succinylhomoserine 18748 31468 18112 28217 31410 OXOMALONATE Mesoxalic acid 34837 12979 108898 67910 143739 79641 131531 131552 21742 PALMITOLEOYLGLYCEROPHOSPHOCHOLINE LPC 16:1 34882168 41197635 41101734 31520017 51626396 59449286 64470265 47111663 30527195 75901925 36397703 60980322 43905993 53939614 37577063 49841249 35966827 56254592 38521045 22617879 31134708 44024093 36185775 31545317 56808817 45101126 46803109 38839456 60905478 58077088 48186019 57478372 41609956 39759011 41028905 14992812 40485503 36453849 40050094 32983795 44981223 PALMITOYLGLYCEROPHOSPHOCHOLINE LPC 16:0 85347800 95024803 93377062 71294450 83983344 94233713 97148760 83618615 65559340 100789620 89888620 85308572 91536854 91477266 86915831 85519433 84326747 97764463 81524183 79518421 72328589 101533523 91179484 79513293 91349030 83802846 88952735 80388139 92411857 95882034 96362906 89262032 79219828 98755922 73537209 57624584 87357566 95502309 73018838 70799316 100069403 PALMITOYL SPHINGOMYELIN SM 18:1;O2/16:0 62423093 85716218 54609280 101374993 81872026 104954677 98395384 99073076 71568350 95414965 89453725 97932131 70835268 74351481 84063304 75253843 68787919 94962610 81338121 94790503 73754932 85096159 77821012 89284565 72032484 69057268 55229666 105919622 77219747 93429989 78680146 62344280 91904490 83256236 85453585 80715057 80375174 84271587 67368712 75409530 84689084 PANTOLACTONE Pantolactone 1664495 1257024 1435632 1945458 1978230 1258510 1487924 1508087 PANTOTHENIC ACID Pantothenic acid 20133841 15355928 15937147 14039929 9777919 7174007 7907722 10251685 12457963 18456346 10027070 5762418 10338497 10426412 8753118 17191131 14683695 18505829 13279359 7312141 7492758 8054845 9364003 11249367 6517217 8915767 15694643 7257470 8822450 5397496 11480402 13534425 14759281 18834456 5327686 13049150 19758481 23462878 19565694 14281010 6412310 P-BENZOQUINONE Quinone 46008 53235 58104 122733 45122 45942 63432 86869 71462 48890 54759 76395 71146 P-BROMO-DL-PHENYLALANINE P-Bromo-DL-phenylalanine 66766 39046 38259 69700 37131 13018 26785 16924 120208 41265 66345 73817 106029 70544 69864 75500 33062 11353 67197 PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETHANOLAMINE 3614334 3138429 4940934 2595036 3424467 2208959 2866166 3022327 2599278 2623195 2351080 2018241 1889267 2902399 2776442 2429697 1898807 2758345 2144470 1816159 2621238 2637102 3141794 4179588 3979335 4113632 2591623 2547579 3166383 3564508 3636674 3323819 2746977 2993402 2178316 1985345 2411693 3177867 2538295 2404990 2482412 PENTITOL Arabitol 439353 194593 310376 308872 339419 387346 803658 202306 478213 421016 337012 410102 283365 332783 325958 507039 364869 737641 319158 296504 312382 296165 331642 392510 472978 437043 416278 779313 339697 878224 449710 359130 401408 312318 464724 430297 355491 439187 625535 PENTOPYRANOSE Pentopyranose 2003284 1727843 2361691 3227467 2116909 2395483 1686158 1948915 2114897 2735074 2044011 2479571 1725805 1784365 1995101 1297492 2255158 3537833 2081231 1089703 1591516 2919821 1893184 1970944 1804051 2811065 1939945 1835928 2000444 2211965 2303688 1799137 2590984 2430221 PHENYLACETIC ACID Phenylacetic acid 90275 56531 22607 14896 194189 34453 39794 57869 50939 37003 PHENYLACETYLGLUTAMINE alpha-N-Phenylacetylglutamine 30996690 24443767 20013325 27729768 34817797 29653318 20715977 28964644 37446197 23760437 19908051 28006991 24573270 26763231 20482078 31917426 37331886 20044797 14973880 25475806 30729340 32651972 34873934 35485250 14171386 23906379 33268142 27593049 34282483 20605947 29301115 20516320 38183536 28990904 12041627 37646175 31864767 35019632 30769236 35604952 18924767 PHENYLHYDRAZINE Phenylhydrazine 76697 37287 26427 58986 52941 51426 59532 63988 51374 44042 87622 62082 45195 PHOSPHOCHOLINE Choline phosphate 91689 PHOSPHONOACETATE Phosphonoacetate 65662 31888 12458 122702 86711 29329 101116 30866 PHTHALATE Phthalic acid 22183 230327 14074 10909 26809 163047 46334 14807 63005 36953 31086 19897 81506 24902 434718 17403 29803 151236 PIPECOLIC ACID Pipecolic acid 13330331 23072617 11849660 22918632 16680121 14852547 13533859 17058941 21519626 23396400 16673345 21379424 20163235 19219702 23108428 30938921 21661749 31580392 27637323 19772765 17170271 23175768 26265400 33980454 17809865 13174908 23748609 29104766 26507275 22834632 13056936 24909982 23843317 20704090 25177871 26590661 31513235 30944141 33033274 36634551 24092694 PIPERINE Piperine 405818 424645 474499 364332 329232 932248 452963 405254 POSSIBLY C10H13NO2 210778 151931 172078 182132 271353 33296 105936 178133 250777 POSSIBLY C42H80NO7P_ Na ADDUCT 934100 1146392 1156143 1119748 810873 1078660 1124603 942884 798469 785507 1168215 793792 1182639 689855 919213 947259 977160 1023851 1323766 778077 1429977 1205618 1488204 1296819 1250590 1544125 1536595 1341887 1136874 1174558 934836 1113622 1009193 1140529 1077364 1045250 1292139 1193330 858021 1189469 1622844 PREGNENOLONE Pregnenolone 1861840 4112480 2291472 PRO-HYDROXY-PRO Pro-hydroxyPro 1111398 992570 870359 1484404 873222 1284527 1171054 1024586 588650 1367806 1626560 832515 1206050 1259013 911730 760663 1073268 1344730 1266142 1443687 555490 643749 708228 455064 693888 437257 683328 1075608 933380 716364 635190 1072285 920576 633995 742501 910265 851059 924124 843152 PROLINE Proline 29372786 27352656 30327670 29857408 32055308 26363159 25694167 33501574 26261317 42520579 30802188 38706286 32880766 36463965 35360125 31112468 28110361 37171612 41681147 43852884 21414202 20866406 24660826 26536455 27705833 20809420 21011301 22270409 22876481 28898907 28456037 33712432 31548713 42698113 33421940 36947453 35285609 32309321 27972576 32834754 38271223 PROMETRYN Prometryn 38778 115824 132893 136003 133067 104727 416079 82643 94534.5000 200741 69864 74968 102622.5000 181098 145550 129852 187408 171809 159589.5000 72755 163105 199338 97867 118921 60510 103054 84312 PROPIONYLCARNITINE CAR 3:0 89430784 73530034 58551651 49785968 34269637 32453170 34081068 43501306 110932802 130223504 46014076 47488006 42626135 118413095 43031611 68737750 62400231 126499004 99587106 59956180 20164926 27867201 36096560 52707378 55116868 49956112 56960347 33465592 41123925 51776607 38473541 70468407 106425241 95628076 41360158 53157552 129493421 99019733 89667399 106133860 43316735 PTERIN Pterin 8684950 10488990 9047573 3759845 9261888 6196110 5739805 6762990 10670054 6859556 6562723 5688372 6465321 5920954 5218908 7242006 8177072 5567598 5087561 4699457 5731347 6013585 5891853 6277979 5655012 5999324 4094443 10071778 7138822 3579543 10751703 10774657 5951427 4250268 4513511 7223417 6692824 5048405 4823075 6587133 5336380 PUTRESCINE Putrescine 29576 PYRIDINE CARBOXYLIC ACID 465121 283139 271808 328780 246030 70280 61730 70377 570539 533730 161468 285257 148834 153276 402636 373175 127591 586034 532499 301700 266452 330907 373832 451316 369172 258040 315904 50852 290714 343539 307213 147438 91478 160487 101747 174540 211385 324314 438642 278914 PYRIDOXAL Pyridoxal 587039 339583 347967 322704 151177 140559 167356 89022 245973 848163 310133 259760 364388 379309 150717 517885 711123 971850 453559 182750 294788 114668 193227 277355 288874 130108 319596 204908 272599 305102 125601 302305 584972 601417 305064 878971 746834 537995 980185 434503 497518 PYRIDOXAMINE Pyridoxamine 751082 747899 660102 822756 670785 641465 628657 572336 740145 502902 513019 661922 743212 496535 642895 657195 587863 651589 898556 504410 425086 634980 587880 552656 348726 PYRIDOXINE Pyridoxine 244230 90832 289761 96179 140972 538531 665010 300455 207921 QUINATE Quinic acid 17910 31011 47176 13272 52056 43893 16703 18676 37531 49554 32382 RAFFINOSE Raffinose 249212 75093 336485 36529 38504 62493 30279 68266 166714 438639 408538 229024 432086 471411 536081 489947 548763 574125 563824 303240 19292 29715 61937 69004 53360 86826 71976 25957 23210 13700 45249 74711 314451 359802 232259 364022 390674 541209 1591828 510217 441517 RETINOATE Retinoic acid 23081 76396 37292 98416 121454 215688 64585 96784 185169 75202 64600 77137 116189 85243 41798 43207 17012 26125 59988 89629 79874 17819 51739 90333 119529 24119 94119 RETINOL Retinol 28018 18202 20189 RIBOFLAVIN Riboflavin 354307 164818 106610 255946 1424211 230372 302619 1170516 265423 207382 189025 710005 1622369 1208012 502686 750113 RIBOSE 5-PHOSPHATE Ribose 5-phosphate 25944 40445 42582 18665 29724 14541 RIBULOSE 1_5-BISPHOSPHATE Ribulose 1,5-bisphosphate 17903 22551 ROSMARINIC ACID Rosmarinic acid 32010 11521 SACCHAROPINE Saccharopine 17429 36190 25959 24547 47221 11336 S-ADENOSYL-L-HOMOCYSTEINE S-Adenosylhomocysteine 486780 610188.5000 517699.5000 883389 797594 497581 829784.5000 809950.5000 1169055 807950.5000 918384.5000 570780 768536.5000 577505.5000 604187 627819.5000 1301333.5000 1198149.5000 877434 623805.5000 648259.5000 715855 721775 935410 673318.5000 383812 1058891 881356 589804 579888 1547035 767713.5000 930587 717306.5000 1176761.5000 1102953 938827.5000 1082347 1570291.5000 S-ADENOSYL METHIONINE S-Adenosylmethionine 227854 105876 34199 91012 27612 187344 94077 31327 298169 103184 63524 41650 77571 SALSOLINOL Salsolinol 244554 150596 162232 36554 197950 268833 70601 56882 145188 191789 206796 122739 129687 64815 169868 163875 139191 170912 69434 126308 171848 132092 111597 141876 SELENOCYSTAMINE Selenocystamine 48373 31202 51382 63992 26642 61914 48851 26314 65274 47990 79365 SELENOMETHIONINE Selenomethionine 13412 46896 28292 37420 13861 SEROTONIN Serotonin 32336647 27999927 41140952 57273283 32350940 36045328 24823531 18685250 47863238 37473790 45036621 30665709 33762409 37069339 36941541 44652615 11783330 45464532 73207265 38255270 24890078 36410360 26554041 25369499 32749933 24898078 35614290 18475724 35337301 44158233 29280183 44821973 50759971 39852234 23914135 35000166 56724602 56436386 49708945 52353573 27699984 S-HEXYL-GLUTATHIONE S-Hexyl-glutathione 162077 219733 137908 184563 208434 154333 109141 142976 231673 121177 137447 361246 118248 255412 110114 61462 128252 79100 72548 132025 170147 156696 197717 158722 208267 119731 SHIKIMATE Shikimic acid 27642 32336 22887 84262 92891 61396 20364 37693 90497 18697 28594 26709 37130 108601 113143 95122 41046 24478 41999 126033 29879 32803 25473 89533 SORBIC ACID Sorbic acid 21023 64269 24095 48077 33927 21392 58847 32317 27251 30937 50999 72124 SPERMIDINE Spermidine 292312 697671 442770 287732 315869 418323 376571 156422 1601613 2068431 135001 131831 106007 439341 184823 471745 235099 485632 333940 267090 123084 284391 279864 200712 153694 261947 161067 390058 166450 170645 543179 498245 654314 389113 79941 767224 648148 755168 664781 758056 114380 SPERMINE Spermine 8037203 9377723 8605031 7841699 6787425 8143113 7526116 5831329 9226525 12691897 5145523 7325490 8264750 6022222 4707109 9142395 13280178 9910314 9490365 7230434 5872519 6297826 5148334 7183260 4364221 6068670 8548769 5789106 4872660 4342146 7241335 5998307 10918199 9529077 4834776 10396666 8959367 11446039 14180780 8236418 4564576 SPHINGANINE Sphinganine 2555011 2274502 698310 3120241 1170382 835373 1681575 1013552 822206 2017778 559369 369936 223502 442032 595434 226388 3441531 719168 348493 1362308 1601987 2289902 1486426 3341440 1430059 545564 1490707 1789507 2192424 1525060 1340625 5349711 1274795 1268767 3060580 2616508 926999 1672996 1479886 3326001 SPHINGOSINE Sphingosine 4528526 5100747 1546900 5354580 1704384 1362956 2365846 1706529 1398896 3233109 1107813 801090 501578 1024130 1145726 631640 419912 5997817 1743606 897015 2622205 2937352 4305756 2575377 5144211 2477847 1430774 2685133 3266539 3232980 2876880 2673790 7710873 2362099 2185103 5603343 5520924 1810096 3540770 2971357 5610117 SQUALENE Squalene 771463 338546 439866 245794 586086 750585 759074 421932 187947 106834 259496 242429 202413 525449 753308 116866 378768 662984 578281 STACHYOSE Stachyose 539847 234089 STEARAMIDE Stearamide 43275 STEAROYLCARNITINE CAR 18:0 2568328 3252582 2601693 3773408 5052490 4316471 2150733 3494191 3955569 3026553 2487315 2713113 1129609 2199825 2951568 2004461 1095812 3351227 2186346 2857518 3132026 4070521 4120357 5078458 5117589 5473307 1346507 4496537 3873652 4144894 3570344 3381478 5422786 2003307 2044447 2892931 3152778 3559713 2490242 2039865 3578565 STEAROYLGLYCEROPHOSPHOCHOLINE LPC 18:0 39822407 76091641 82894125 41205948 70139511 34212362 98130831 40087562 39146705 95464588 66290548 74992784 123112609 87198189 57384356 52730658 80312390 42358027 45789655 27222768 41085925 8181915 53807446 55677518 67512827 48527632 44521633 32555523 98551153 80560847 93328292 97017894 66761162 84855447 81960458 48570298 61549634 11345829 43559220 60206913 81320815 STEAROYL SPHINGOMYELIN SM 18:1;O2/18:0 4819985 5902297 3838907 6918521 5226305 7117112 5651653 5505327 5763396 5806265 7818885 6508251 3894984 4214632 6133264 6102175 5063342 6753046 7533923 3888528 6898546 7359345 6745552 7124085 5675814 6598236 4852311 7831579 6663441 6344195 5040523 6877446 7774182 7268793 5324271 6796382 6194863 6260556 4770943 6748234 7059549 SUCCINATE Succinic acid 3635004.5000 2075156.5000 40820 2378285.5000 908053 1219567 8872755.5000 80888 105451 2654076.5000 35401 63545 3315260 4962106.5000 6544594 8827682.5000 83397 91954 42131 5540843 70292 7860532.5000 2343549 5707438 105085 5136011 7914152.5000 5597761.5000 7676732.5000 4891272.5000 1123245.5000 TAURINE Taurine 411470 252518 242471 898602 354378 571724 773052 447781 546848 419483 1237498 871616 335178 341632 184189 269427 356590 87433 530672 427413 409255 366288 507098 959601 362157 708402 422452 455370 365322 412085 265712 585125 319787 434076 276081 319977 226848 271542 341284 394727 TESTOSTERONE Testosterone 244643 208639 325000 254357 271015 517862 221963 312790 367393 275632 230737 296990 THEOPHYLLINE Theophylline 332467 184761 175062 185534 75198 THIAMINE PYROPHOSPHATE Thiamine diphosphate 21618 22553 21314 30469 25731 23101 20610 21451 17096 26264 25548 24899 THIOPURINE S-METHYLETHER 6-Methylthiopurine 22186 229396 13839 THYMIDINE Thymidine 2094099 3839840 2383649 3536155 3464951 3214561 2739503 2434577 4626152 2537769 2487362 2382521 2725336 1862636 3053578 3531588 3032934 2787903 3035792 1338741 3732233 3078080 3218951 3422471 3163937 3773198 2762244 3177640 2652011 3169801 2222340 4995945 4035119 2267818 1744288 3654184 3093831 2422713 2804219 2567600 1930257 THYROXINE Thyroxine 145273 123043 110683 126800 144336 124073 101117 129132 140537 124119 118975 118321 119362 115870 111914 126985 121637 125195 151576 122890 109815 120981 128919 106883 108233 130046 114285 126707 100056 108218 142482 126770 150399 139249 113711 120296 140966 147752 125529 91943 118428 TIGLYL CARNITINE CAR 4:1;2Me 1341401 942458 1178772 1078343 797844 625084 617498 750343 1718771 1334722 835787 753374 818689 1076134 722434 1266328 1053697 1349647 1175470 873828 497638 597824 883386 738410 676150 749538 882574 606079 818985 593801 772358 1174249 1677181 1390469 566460 1034867 2070994 1936129 1751307 1377030 715270 TRANS-CYCLOHEXANE-1_2-DIOL trans-Cyclohexane-1,2-diol 75222001 262976660 84792365 74428365 69596687 59275847 41593511 52554731 81295788 71662248 64644585 78743962 88503188 75890483 101977350 69670524 114492113 75219441 78232465 69164132 34017096 28690235 47878076 57792969 32669112 65343041 98343493 301547229 45552760 39962323 335023418 66015569 68044482 70953051 54318163 83941606 100671517 78548274 107477425 75246704 74128675 TRIMETHYLAMINE Trimethylamine 39817 92408 26388 55634 64789 39472 44986 67995 45891 34621 58858 56016 57152 25423 67253 50848 56320 61679 87257 39336 27440 76817 25603 53917 27088 28363 40059 TRYPTAMINE Tryptamine 32881 TRYPTOPHAN Tryptophan 727357100 730878565 603490932 678617589 656938043 636826204 569632124 635825458 688827884 850287331 641262519 705056395 620003024 688636777 507026347 831920509 735073208 857709154 891875465 702456699 637839284 675680752 565944902 647051174 681239744 596557258 687191039 653782324 578957387 632187118 693861590 693356697 912532622 811241469 562375583 824524884 765680514 867629713 855163058 718777676 595099890 TRYPTOPHANAMIDE Tryptophanamide 608412 590044 551135 TYROSINE Tyrosine 194038830 254183894 203101034 245413712 319085258 211645528 216845092 220370840 127059294 380180219 168944578 209143660 202121517 228982033 147510596 228427804 187972017 290167360 356198944 188542439 151973964 159665496 151043862 232599286 208381928 179103931 199609679 188383104 145749241 152726601 255834068 325768338 280366415 351501350 152872419 242712813 295282148 239178529 284238747 210237865 174611987 URATE Uric acid 28012646 23795972.5000 23859440 28795362.5000 20914069.5000 22112399 18958824.5000 18987332.5000 15212029.5000 42519962 27574246 22791164 28190153 16638793.5000 21382881 31107569 26447421.5000 30734967 45070645 20135930.5000 11815881 19703004 19967873 21809270 24661299.5000 20934212.5000 30533888.5000 20850030.5000 17428720.5000 23852731.5000 23521737.5000 44187682.5000 21674617 32058726 22130942.5000 26075343.5000 30410908 25642461.5000 35671709 19375607.5000 19500662 UREA Urea 5610658 5677334 4710764.5000 3712312.5000 3621319 5228001 6232201.5000 9390141 5260732.5000 5731741.5000 6633974 6566396.5000 5911709 7771808 7488419.5000 6354743.5000 3246385.5000 5439518.5000 3950622 4652273 2843887 3826652.5000 4224380 5104073.5000 3566053 4110337.5000 5772710 7963380 8422932.5000 8392053.5000 8728608.5000 9981964 8022632 URIDINE Uridine 5841007 5235210 4083372 6312401 8197105 6604046 6074685 7297549 7498663 10027069 6566536 7879394 5589578 5244747 6186083 4930007 4472367 8443083 12899093 7927516 4898044 5370639 4750738 5992085 7911041 5828423 2596307 6139002 4545147 7382731 5672553 5194752 9420154 4859723 5913642 5184011 8522061 5191922 8082089 5619467 6307119 URIDINE 5^-DIPHOSPHO-N-ACETYLGALACTOSAMINE Uridine 5'-Diphospho-N-acetylgalactosamine 14156 13099 22387 17064 19283 URIDINE-5-MONOPHOSPHATE UMP 87298 13941 103457 23101 35754 UROCANATE Urocanic acid 825913 877183 4152483 1585956 1311882 1462633 1540301 1004118 862152 749451 1556654 1441279 679050 753130 809639 784938 779468 930975 662298 988218 2844709 1117558 1312774 1136963 1601098 1446060 1391847 1103733 1277815 970622 2045923 704584 1253915 831103 991794 846522 1195827 1519646 1370624 1609777 3722915 URSODIOL Ursodeoxycholic acid 1256845 870734 1156886 1158183 1263819 927833 1053307 902741 663083 2412211 1060185 849602 820273 990101 1298284 1484868 658673 1835921 3313345 743025 753854 1346548 454527 1113311 2159719 2392439 644195 1385810 1298027 1202098 930276 3311401 2177538 1171356 1429340 848500 1027728 1022266 1927333 1120102 1155636 VALINE Valine 17930665 18894840 21819229 23501928 23316567 19769877 18664340 22272701 22020008 30355989 23701144 20939864 20553749 24075000 19442631 23567620 19438480 24558648 27261778 26039853 13803966 12847534 13714020 17655436 17937907 14428546 14428718 14515744 17547037 18770300 19124082 18689921 22297750 24154127 13585686 23661595 22694132 23153407 24380075 18742363 18750968 VITAMIN B12 Vitamin B12 152973 65878 43700 81910 32301 59647 VITAMIN D2 Vitamin D2 21333 37446 64765 29178 40024 24844 34428 70479 VITAMIN D3 Vitamin D3 24567 29375 25456 40388 71523 49953 33725 41926 45592 29315 40769 28160 26374 42585 37295 63628 35057 29983 23111 20697 30448 22620 69507 20803 25905 31849 27338 63492 29063 52522 100591 41199 79612 41461 35242 43809 74984 41291 28767 45184 XANTHINE Xanthine 752626 640549 613747 XANTHOSINE Xanthosine 634852 1169253 832265 585551 2091236 1601765 1572993 2573289 256520 1219779 2149533 1869477 276233 1308441 1046674 540340 780779 1265689 1351172 1508950 2255693 2639487 1862133 3782830 2927510 625806 3937506 1961383 2245248 2192207 624963 665941 464538 2221797 647115 731588 28630 991950 269445 1559557 XANTHOSINE 5`-MONOPHOSPHATE XMP 99134 60438 61878 101147 144451 155553 128073 75326 156580 146931 142151 137752 70282 117032 115828 64159 82931 177744 82391 107599 XANTHURENIC ACID Xanthurenic acid 266795 292492 316718 310659 60716 357296 97140 209721 434867 83937 115711 380882 180613 97043 220729 311748 407500 57651 69750 173064 98525 70741 245699 36413 213809 200788 59491 221829 271274 281412 112429 431655