Metabolite_name RefMet_name DDACS_1_shield DDACS_2_shield DDACS_3_shield DDACS_ACLko_1_shield DDACS_ACLko_2_shield DDACS_ACLko_3_shield Ku80_1_shield Ku80_2_shield Ku80_3_shield DDACS_1plusshield DDACS_2plusshield DDACS_3plusshield DDACS_ACLko_1plusshield DDACS_ACLko_2plusshield DDACS_ACLko_3plusshield Ku80_1_plusshield Ku80_2plusshield Ku80_3plusshield Factors - treatment:No shield treatment:No shield treatment:No shield treatment:No shield treatment:No shield treatment:No shield treatment:No shield treatment:No shield treatment:No shield treatment:plus shield treatment:plus shield treatment:plus shield treatment:plus shield treatment:plus shield treatment:plus shield treatment:plus shield treatment:plus shield treatment:plus shield 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 5373283 3559768 5532732 4197047 3992702 5191566 4668398 4262074 4893851 4652073 3894484 5162359 4858718 4307001 5652819 5265735 3520487 6270675 1(2H)-Isoquinolinone 1-Methyl-2-pyrrolecarboxaldehyde 1-Methylnicotinamide 1-Methyl nicotinamide 8818447 10102672 9417639 1281949 5608890 5079900 7557737 13522099 9923955 10013344 13150510 9751134 6113024 10395570 9534504 17130938 15901454 17895804 1-O-Hexadecyl-sn-glycerol MG O-16:0 1647245 1437552 2434906 1987937 1556890 2294485 1522996 1608666 2006179 1466555 1560928 2070183 1867943 2025381 2528151 1815986 1474697 2021942 (1R_4S)-fenchan-2-one 3530786 5843033 4680552 3398226 2280613 4769707 4103072 5080635 4263848 3132783 4385783 3864444 3144596 4107544 5921100 7456394 7944894 2377975 (1-Ribosylimidazole)-4-acetate Imidazoleacetic acid riboside 732407 560508 926533 800353 730833 663591 561924 593878 683782 704781 857425 854782 871118 1028567 641853 772954 468624 617491 2_3-Dimethylmaleate Dimethyl maleate 255038 177615 254577 450201 710557 605630 402757 149791 103773 402512 511126 475839 164665 375650 131346 598124 2_3-Epoxymenaquinone 254054 252153 303948 380155 296693 301322 255979 343695 313895 257973 267383 257405 254471 298033 336005 312983 299438 310625 (24R_24^R)-Fucosterol epoxide (3beta,24R,24'R)-Fucosterol epoxide 3010309 2512499 2501651 2803599 2823555 3004990 1828406 2899262 2021890 1874626 2567049 2868155 2208199 2347857 2313471 2441688 2070096 2802777 2-(Acetamidomethylene)succinate 915229 240797 438286 705237 592024 457161 934732 421776 431220 1063090 493027 416582 816155 299161 1073164 663972 2-Amino-2-deoxy-D-gluconate Glucosaminic acid 491476 111143 366927 2-Aminobutan-4-olide Homoserine lactone 357157 261366 396399 236811 256699 264196 221854 324042 273712 241578 275504 350031 234424 375275 354225 317780 226043 336632 2-(Arabinosylamino)-3-(glucosylamino)propanenitrile 340230 202336 321861 278927 322236 325294 187007 421076 294661 95229 266611 295544 191774 399462 465525 284643 219969 374805 2-Butenoate Crotonic acid 91873096 71267280 82917744 131703848 121368704 111155008 70714984 84083520 57787464 66453308 84175864 75610368 87012056 125075352 109737896 75539024 56490684 80310032 2-chloro-3-methyl-maleylacetate 1161252 846506 774477 1011839 1388780 1074292 738090 1070572 593514 747818 1063606 793581 893056 1065776 979941 864284 618499 1142565 2-Ethylhexyl phthalate Monoethylhexyl phthalic acid 2957941 2420711 3083046 2854425 3488581 1936626 2657052 3266604 2346267 3063852 2831711 2796249 2672079 3346949 3258912 2755848 2479151 2897410 2-Methylbutyroylcarnitine CAR 4:0;2Me 1041865 803328 942833 362455 956126 809971 890395 1314132 842618 599520 818863 1029292 644671 1106847 848396 1082566 728173 940019 (±)-2-Methylthiazolidine 2-Methylthiazolidine 301816 328532 344059 203552 379911 252144 156227 377388 216850 159343 326146 373180 177988 543593 433536 235615 247615 337622 2-(Methylthio)ethanesulfonate Methyl-CoM 1197780 1361776 1753915 1043458 1300587 1411497 783769 1775675 1660249 977888 1662957 1621912 905908 1440141 2198362 1206557 1471234 1925100 2-Oxoglutaramate 2-Keto-glutaramic acid 502741 519566 508695 394078 688826 535847 322026 663411 382488 351834 593611 432861 444089 798478 642326 597266 449408 712990 2S-hydroxy-butanoic acid 2S-Hydroxybutyric acid 2567983 3_3^_4^_5_7-Pentahydroxy-8-methoxyflavone Corniculatusin 1276033 1352523 1587435 1577926 2072302 1100954 1520960 1554936 1271445 1586892 1632554 1678914 1505852 1951544 1919166 1281633 1090457 1129489 3_4-Dehydrothiomorpholine-3-carboxylate 420789 198991 238726 94551 182423 214222 299867 255571 214016 330192 169146 239484 220114 172734 509659 73858 286007 3^_5^-Cyclic AMP 3',5' cyclic AMP 313971 292986 316163 354336 483472 382357 265338 370440 226396 195577 366127 360227 238661 523702 366747 225143 251539 284598 3-acetyl-3-methyldihydrofuran-2(3H)-one 1491045 1687042 950563 1572338 1405990 1359462 1535148 1395396 1850581 1611123 1593703 1253296 1815646 1518192 1618244 2264940 1499740 1518722 3-Butynoate 3-Butynoic acid 3-Cyano-L-alanine Dihydrouracil 98515 97984 98592 89974 85148 78119 85238 109793 81780 100952 90778 82272 99447 94413 79514 94749 91138 76441 3-Methylguanine 3-Methylguanine 180822 705778 585758 559146 180795 180386 851222 511836 163946 378695 615011 444000 993631 260914 987443 837007 (3R)-hydroxy-N-acetyl-(L)-arginine 5615655 1572231 4304121 8682419 5307673 7663087 4090921 2477501 4419633 3934761 3446649 3422140 3977263 3052550 219962 4963992 310779 3059685 3Z_6Z-Eicosadiene 4_8-Dihydroxyquinoline Quinoline-4,8-diol 4_8-Dimethyl-1_3E_7-nonatriene 1134880 2565667 1642425 1279537 2155025 1447934 1675742 2377028 1288281 954953 2265256 1224585 1267679 2163632 1799708 1769893 3489736 1345702 4-Aminobutanoate gamma-Aminobutyric acid 933218880 755955136 910459968 1365532160 1225201664 1145180288 726299712 859202368 622912192 676868032 928301568 826408000 895983296 1347894016 1146550272 787702528 612989760 839300352 4-Hydroxy-4-methylglutamate (2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid 10280044 9060999 6489151 13606629 9076977 5538585 5140332 8941984 4003397 4411296 12488151 6593064 8843113 13417722 7824055 6933008 4663380 5834408 4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 1925068 1569749 1778494 1314996 1806611 1206136 1555564 1899873 1876408 1048779 2038259 1988152 1587367 2867877 2199550 1785705 1328028 1930302 4-Methylene-L-glutamate 592508 446268 379799 669641 381567 319046 301336 350745 283344 220702 478899 368125 423921 519737 353657 312584 250672 381705 4-Methylene-L-glutamine 4-Methylene-glutamine 68723 66513 75521 63806 58809 70547 43219 71146 62469 77870 77428 48052 62540 60069 67989 75829 4-Pyridoxolactone 4-Pyridoxolactone 656941 594634 554684 598191 613791 632944 634536 787114 554141 601824 573209 625952 564461 651958 579668 591390 534360 612759 4-Quinolinecarboxylic acid 4-Quinolinecarboxylic acid 5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol 695829 225463 671072 260367 323098 696429 473841 272096 357781 435615 231530 369827 288480 565047 330702 5-(3^_4^-dihydroxyphenyl)-gamma-valerolactone-3^-O-glucuronide 350273 261213 302563 348905 238950 187035 349375 242603 120917 296250 297828 357616 255105 292359 237925 308044 5_6-Dihydrothymine Dihydrothymine 35811488 27595972 44140804 19578322 27944310 26530996 25393746 43178016 40426024 19674934 31575912 42891292 20156526 36747028 37494452 36294992 30148082 46127260 5-Acetamidopentanoate 5-Acetamidovaleric acid 198227 129707 79975 95344 180130 158366 99760 188340 149689 154262 131846 134768 139034 159142 102408 82360 136987 101758 5-ethyl-5-methyl-2_4-oxazolidinedione 385063 383624 323886 478955 466988 362259 303306 354002 350246 254107 399734 381599 352500 534150 499232 345474 327595 373398 5-Hydroxyconiferaldehyde 5-Hydroxyconiferaldehyde 5-Hydroxy-L-tryptophan 5-Hydroxy-tryptophan 370085 87068 160743 317675 188783 206962 295205 184633 163977 246109 193597 151784 265268 88282 92436 350331 85353 145686 5-Hydroxy-N-formylkynurenine 5-Hydroxy-N-formylkynurenine 5-methyl-barbiturate 164129 73230 54197 361377 133356 130388 59441 69643 67129 46281 165101 80072 162477 158349 76789 76491 49802 5^-Methylthioadenosine 5'-Methylthioadenosine 2991487 7162508 8537584 8058648 11666728 12206649 2021565 7549955 5973605 1507625 6279764 5789980 2467439 10737968 8021249 2645142 4301133 5353197 5-methylthiopentanonitrile oxide 573707 590632 512754 392596 709611 506191 340456 705581 585480 287859 862547 614772 379344 893127 822335 538391 512237 706708 5-Oxoproline Pyroglutamic acid 165169168 175272192 139520736 70181728 78597440 81499520 136922560 190939680 125344016 137396016 157356464 145773008 138404144 182750224 171231360 171314416 151636768 159451696 6-Acetamido-3-aminohexanoate 58692 62085 50666 6-isobutyl-4-hydroxy-2-pyrone 326667 281467 269767 354554 322333 285146 305792 296978 293155 292850 255685 261696 283578 299473 283856 289990 278425 306410 7_8-benzoflavone 7,8-Benzoflavone 1941094 2078788 2359956 1598167 2019317 2001780 1245676 2629984 2031183 1283013 2999495 2339231 1278289 3415143 3825740 2221520 2504278 3051676 (Ac)2-L-Lys-D-Ala-D-Ala (Ac)2-L-Lysyl-D-alanyl-D-alanine 646427 356275 672461 420915 626830 423735 480735 900590 560682 398857 623265 640571 430989 973743 710506 688827 481769 599163 Acetylcholine Acetylcholine 2548140 2988561 2689047 1786681 4340194 2036637 1585874 3133765 2226710 1378991 2869231 2373537 2056489 4488341 2735691 2160946 2170791 2363932 Acetyl phosphate Acetylphosphate 1025533 1229557 1196504 966168 1330874 1021682 740894 1310730 1116200 750673 1047000 1232306 890185 1277148 1180691 1175049 1286285 1244006 a Cysteine adduct 10922845 17528298 18992402 3322211 11054265 9238545 8513236 21883274 13785200 9389343 14629392 16291103 7113449 13050947 16683270 16001263 16350959 25231396 Adenine Adenine 1232814 945711 1689887 3012115 4399962 3261952 742211 1703770 1205822 592929 1653980 1417884 2185338 4368023 2947592 890459 936149 1302049 Adenosine Adenosine 13537505 16643300 29308206 16798622 20993998 25340592 10986931 17428792 26301284 9917527 21624490 24743188 12406733 25494452 28360320 14453313 21663224 25428514 ADP ADP 26477470 24581712 26239066 29873242 33650684 27548762 21029872 28517616 23547384 17787770 27352430 27176918 21530038 30977618 29294124 24267582 20831596 26255360 Ala-Ala-Ala Ala-Ala-Ala 681598 530722 552983 1298246 1046278 1044571 395175 514408 382092 418863 637313 467854 851931 1164198 958942 442364 314408 410635 Ala-Ala-Ala-Asn 1442495 1079167 1544170 473432 315202 244477 1176045 1762118 991932 791218 1262290 1442741 662796 898057 572455 1465178 1004696 1847092 Ala-Ala-Asn-Gln 236120 182929 242861 179002 294194 174383 138893 348477 246389 75238 268472 254741 95007 351831 311371 236283 194474 266452 Ala-Ala-Asn-Gly 407585 477488 479548 314822 107859 426691 583018 398592 378425 585635 472808 294071 593514 423816 517008 356977 463353 Ala-Ala-Asp-Arg 461277 410275 349444 293452 386774 340169 307738 421466 330323 224469 467216 324439 320886 573388 507120 362952 235340 402042 Ala-Ala-Gln-Gln 421011 371657 348145 216547 462940 227599 294911 439975 344468 241026 435356 451455 340875 641834 553571 352837 263825 441127 Ala-Asp-Arg Ala-Asp-Arg 5081829 3644005 4362321 3436481 3540184 2743171 3313957 4487505 3598102 2948668 4144888 4092111 3493017 4776199 4705425 4050430 2943500 4383105 Ala-Asp-Asp Ala-Asp-Asp 782020 553160 616664 644913 822836 691063 466382 760751 589844 404520 770485 625574 545611 1044845 1024661 569922 404071 759323 Ala-Asp-Gly-Arg 482336 337673 403902 328488 433309 247247 248718 417282 384060 234265 486812 383612 287630 504581 367962 406298 324139 419696 Ala-Asp-Ser Ala-Asp-Ser 409889 383865 415415 291816 486594 294923 359808 545911 330915 397000 404898 408979 268904 527513 527255 535006 396621 614737 Ala-Cys-Cys-Pro 375973 199980 267251 334013 298568 263863 160190 268260 222436 69263 264006 275872 276309 450092 270784 266362 269186 161476 Ala-Cys-Tyr-Tyr 856872 395879 620464 370461 672824 229933 236506 700569 461869 224885 751841 617087 435544 1320515 1085500 548254 309087 760497 Ala-Glu-Glu-Gly 384568 332164 247711 189220 301396 225320 187674 304095 239583 198326 297358 325031 243481 387268 248132 341337 225913 280362 Ala-Leu-Ala-Ser 2157265 1814957 2158685 1396435 2071530 1445134 1362881 2701773 1778352 1145065 2401066 1847259 1532606 2950683 2465010 1716694 1705149 2074529 Ala-Leu-Asn-Gln 348672 335500 284299 268035 353141 296079 256653 456136 271841 213884 412760 292322 231872 411778 403677 299357 270119 324790 Ala-Leu-Gly-Pro 2622752 1969078 2226457 3379996 3213103 2577132 1656738 2810819 1707241 1260226 2657966 2160016 1927247 3979169 2925267 2157267 1502862 2131910 Ala-Leu-Gly-Ser 2172306 1777865 1949340 1486113 1540443 1381686 1360891 2090944 1399994 1023028 1751248 1617651 1655245 2206485 1749166 1582325 1395990 1803558 Ala-Leu-Ser-Ser 1422233 1242990 1085599 1301817 1460991 1090597 1163581 1380313 1200108 799684 1486316 1218966 1265368 2056130 1814981 1237340 952958 1373246 Ala-Leu-Val-Gly 462082 339780 345701 283046 397448 314165 295373 409628 320841 210453 338179 354347 211562 466354 356915 342482 257765 304643 Ala-Lys-Ala-Asn 459130 337343 468216 395405 476726 356452 345939 493864 347828 259210 403949 391909 494782 631675 575056 390014 315549 537009 Ala-Lys-Ala-Gln 546038 560293 581473 318839 507216 311745 302022 528223 485977 306267 437586 506401 315288 697211 612626 445214 381864 495438 Ala-Lys-Asn-Gln 319291 217484 254560 249786 131288 222577 262539 254720 124085 234680 232337 152237 309653 231267 230710 279167 210619 Ala-Lys-Asn-Gly 7680725 5818852 7333076 3813140 5889218 4231356 4402376 7501027 5941270 3836680 6732123 6944367 4281340 7991938 6425898 5504519 4679657 6424216 Ala-Met-Val-Pro 399822 316818 382453 193894 336640 292638 217285 450452 303407 159290 486532 403778 232448 560149 445543 261123 300206 408276 Alanyl-Aspartate Ala-Asp 14306920 11804539 11463095 8470947 12079881 8756146 11334891 12891472 9777845 6849275 14845143 11602643 9969148 17527442 15737294 12692523 8921200 12980962 Alanyl-Hydroxyproline 1336534 1164421 1094824 721602 1194192 810593 741225 1309929 879257 735722 1448405 1033431 650731 1448046 1204494 1023511 867290 1552383 Ala-Pro Ala-Pro 202686 291736 298567 222717 307236 386349 193867 317390 241713 190799 249863 359578 219820 360401 695235 289277 328047 438417 Ala-Thr-Asn-Gln 311313 285414 435355 394935 376563 320798 273135 302876 310048 279525 332061 285749 285494 411301 340430 335147 277546 358537 Ala-Thr-Asp-Pro 1722599 1526438 1335015 1456242 2005036 1178833 1145342 1756592 1266716 915503 2074038 1474355 1392470 2772247 2212116 1622607 1375083 1815202 Ala-Thr-Thr-Ala 858914 820995 857317 606301 891636 510922 594994 951858 733559 538579 845503 828723 648333 1179984 1076483 680826 659854 976036 alcaligin 355465 372064 432563 178469 454275 276448 292193 441089 386735 232955 333341 459239 214480 391692 468227 396393 403247 535614 alpha-Methylstyrene 1064380 7470981 1500901 1472739 6979283 1468273 1590005 6258356 1903674 2082630 6784082 1157523 1805188 5250248 1551695 1869499 7538504 821368 AMP AMP 74336752 95664144 114290472 62230852 118213320 118191064 65185672 119119128 101906296 53525676 102606560 125878160 64436360 141250896 114294336 77128544 104611200 116128320 Arg-OEt Ethyl arginate 21009112 15704808 15378622 14597013 19307028 12594311 14300672 22485100 13582581 15592316 31142542 13956993 17205168 29321996 23892694 21213222 15991781 22943284 Arg-Phe-Cys-Gly Arg-Thr-Asp-Ser 548143 563526 600126 549773 754873 601150 459745 837620 588608 328235 624458 706690 326466 807612 715048 620636 519279 683464 Asn-Asp Asn-Asp 265940 186749 233071 165918 300750 218563 160455 254085 181434 181534 267007 243595 153607 307361 245027 262273 196990 260401 Asn-Lys-Gly-Ser 2628170 1995745 2440017 2452459 3233294 2092031 2011584 2787318 1949437 1544880 2366700 2265663 2594771 3429718 3451303 2534216 1779870 2414747 Asn-Met-Gln-Pro 261173 335909 623954 321868 443129 540326 170708 321547 609753 179411 418689 524954 245719 539533 554033 259681 478663 516323 Asparaginyl-Hydroxyproline 674342 671426 777720 530464 561517 421288 534257 881812 673703 523750 853152 750010 494715 962542 779821 727411 587327 820631 Asp-Arg Asp-Arg 501965 354739 417396 315259 479662 400213 379307 446378 408291 224035 383384 413203 275544 569999 442206 476964 366751 360835 Aspartyl-Glutamine Asp-Gln 2832335 2240581 2572178 1857164 2707835 1750184 2061197 2826110 2364354 1351324 2935051 2789487 2480246 4248427 2936227 2274460 2015329 2637925 Aspartyl-L-proline Asp-Pro 975132 995225 1114465 601838 1081210 836771 856256 1217488 858902 797283 848979 1451732 772992 1515283 1700534 958971 944766 1438561 Asp-Cys-Cys-Ser S-Glutathionyl-cysteine 3676807 1989306 3077650 1995169 3737066 3402188 3177454 3285508 2631284 3268379 2842051 3339972 2032754 2291116 2161216 4542964 1374336 3642890 Asp-Gly-Arg Asp-Gly-Arg 191507 144613 185729 213680 166947 119285 113834 165306 102137 58875 114526 124273 128768 227699 175578 185945 110035 180747 Asp-Leu-Asp-Tyr 425849 234718 245756 333591 382854 265352 205187 294938 190889 194415 377680 249664 271604 545840 360202 329496 214949 274970 Asp-Leu-Lys-Pro 489873 522099 515301 128561 221216 118438 375243 685025 516911 295362 476573 584579 257954 547488 390145 494035 538750 642511 Asp-Lys-Asp-Pro 423123 494156 532556 68400 114417 61438 378277 746539 480473 298432 506221 525571 267222 432845 354531 638731 534879 670662 Asp-Lys-Asp-Tyr Asp-Ser-Ser Asp-Ser-Ser 133630 100530 101792 88169 146326 115753 116909 132759 102936 90307 118625 146737 85558 140402 104054 126034 81959 110628 beta-Alanyl-L-arginine beta-Alanyl-L-arginine 199085 248643 200154 308143 288606 273564 151280 238305 174850 152650 209620 265228 163039 286783 274551 175026 170489 181330 Betaine aldehyde Betaine aldehyde 1726431 1443625 1465464 1431700 1669910 1475130 1593202 1494894 1379888 1598891 1525477 1488797 1326290 1540184 2089055 1662808 1329436 1744690 Bis-gamma-glutamylcystine Bis-gamma-glutamylcystine 789789 455733 506887 114038 593881 365672 674222 1111871 647362 497212 458312 576006 594691 1256159 891026 1028484 695038 912821 Caffeic acid 4-O-glucuronide Caffeic acid 4-O-glucuronide 237888 147266 216059 223922 265192 132563 71719 216591 176533 69783 194863 213738 133123 353767 208752 219392 144370 140932 Calystegin B2 Calystegin B2 261100 208117 175643 457195 380772 276366 174732 216018 153278 144886 316305 254498 229027 347087 283101 202095 175443 170933 Caproylcholine Caproylcholine 479779 6024526 448930 432112 5602561 292519 552505 5558093 409133 477893 7356071 350573 540763 5052678 344775 492852 4905723 403032 CAPS 43412256 41653796 54768812 49329500 45318900 45638532 47232748 44730528 47844684 40740948 50274660 46784668 48318768 48343572 45351700 47085508 46048336 43671824 Caryoptosidic acid 230186 258581 206252 218473 261943 208207 231695 200728 157859 202752 253437 230191 226434 235835 223922 236243 194945 190224 Cavinine 1337842 697857 845559 2318294 1307677 2017174 692858 901108 563934 561065 1251167 831319 1253265 1562838 1271812 758494 415730 817158 CDP-choline CDP-choline 1839411 1653711 2507526 4076411 2199171 3065111 1237326 2042343 1963628 1116986 2442269 2114216 1387380 2994733 3448701 1623524 2540579 2860167 Choline Choline 4269164 3829676 4837695 4888064 5473630 5323866 3281133 4112646 4237091 2834304 5106756 4533968 3217825 7279771 6664288 3385541 4227290 4452241 Choline phosphate Choline phosphate 2065376128 2032392832 2067617920 1250896256 2239131136 1729100672 1620718720 2360669184 1782913280 1418716288 2072760576 2074479872 1226947840 2235904768 2079398016 1817741056 1778361088 2056729472 Cinnamaldehyde Cinnamaldehyde 1832432 415859 2097793 488847 2031861 532084 440443 2253636 359991 1729538 406489 493881 1953778 Cinnamyl alcohol Cinnamyl alcohol 433916 2226418 533676 2471430 372913 2260520 520184 395577 2878864 404712 570560 2309836 411531 3174340 CMP CMP 6053754 5418263 6405193 3988065 4900943 3753727 4848344 6208359 5633230 4402684 6415649 6618267 5491675 7971316 6485276 6338766 7233206 5860402 CMP-N-trimethyl-2-aminoethylphosphonate CMP-2-trimethylaminoethylphosphonate 993901 952080 1174760 578826 811594 743095 998843 1365100 1485725 660613 797050 1223215 409363 806335 810392 1094459 1283190 1580432 Cohibin C 9724916 8372940 10580674 9401529 7593236 8673300 9548122 8911765 10986138 9038093 6970407 11791399 8135211 7749577 10763337 9324765 7647565 11291261 Convicine Convicine 364934 308633 245683 309271 318699 209186 203314 319937 224457 196778 311151 265438 238013 481995 289651 305168 187736 284684 Creatine Creatine 693128896 548902912 720824896 232359104 587967488 423462912 521226528 702868608 622771136 387852160 732397632 747674880 341237312 702547200 777175104 675460992 526618176 806760256 Creatinine Creatinine 1388003 1858630 1439015 866253 1586752 1046033 1079930 1688195 1324185 854384 1569156 1453629 1020078 1811403 1703327 1454598 1626561 1591404 CTP CTP 2220207 1731318 1281852 1710851 1887345 987438 1199842 1824003 940910 1015350 2408264 1307109 1074329 2877752 1923901 1615256 995020 1130419 Cytidine Cytidine 1216079 1063529 1027955 1391723 1639267 1208713 835713 1472077 1064785 829835 1360212 1179494 986511 1777642 1346096 980333 1032781 1064913 dAMP dAMP 620913 1411735 1145180 543855 1247116 1031058 616984 1415103 825833 712103 1210654 1020797 516633 1462033 1937756 777893 1070136 1901123 deacetylcolchicine Dethiobiotin Dethiobiotin 647011 497756 526403 496889 617740 447381 440262 726461 389473 370880 619392 554926 364830 854596 705093 586334 416948 489357 D-Glucono-1_5-lactone 6-phosphate 6-Phosphonoglucono-D-lactone 1119398 1144293 1038322 768586 1552386 936972 769332 1495173 877730 800190 1353217 1047193 761766 1490309 1460470 1023077 1194449 1076781 D-Glucosamine Glucosamine 919159 835511 1050766 1785754 2217428 2128797 1198460 881901 725938 959648 1204848 834435 713433 194428 1510407 805635 461710 1968445 Dihydrobiopterin 4a-Carbinolamine tetrahydrobiopterin 611587 373917 515452 160121 374990 200348 582406 521366 545799 346228 300135 507519 275723 387727 242497 676711 297007 555589 dihydrothymidine 5,6-Dihydrothymidine 493019 395706 417105 315542 332917 204878 335421 588942 349743 320584 479157 428066 292919 535562 394302 418099 362662 459192 DL-Methionine sulfone Methionine sulfone DL-β-hydroxynorvaline 1698841 1163664 1032574 605679 881613 506132 1413228 1343018 955803 1037813 1415271 1005131 622238 898564 664298 1701308 940935 993497 D-Mannitol 1-phosphate Mannitol 1-phosphate 579521 739324 179156 3329455 555921 194269 324788 508689 230142 518807 3129541 223968 596359 723466 250080 397966 332024 237295 D-myo-Inositol 1_2-cyclic phosphate Inositol cyclic phosphate 2432478 1825963 1533269 1832779 2745972 1799637 1508201 2121140 1368649 1569055 2205058 1793795 1488173 2059897 2434248 1804385 1358241 1855392 dTMP dTMP 511596 756270 702482 287504 781716 750808 453825 971975 514452 548138 1084480 658672 304254 760619 1159694 687617 676494 1389761 EPC(d34:1) EPC 34:1;O2 37245960 34141164 57991772 45131152 46050560 70852984 23336590 55200640 49218716 22385856 38492304 62067416 29577814 69791848 59971860 51970976 39257716 70558352 Ethanolamine phosphate Phosphoethanolamine 19122560 13712722 14456427 19847686 19448678 16917498 13748793 16669111 12188586 13348147 18366356 14515194 16466855 22182232 17853886 15495265 12574077 14399288 FA (14:2) tetradecadienal 5039312 9840904 6361955 5218155 4038607 8711359 7338976 9852982 6681078 5021715 6621432 6130114 5028834 5076368 10109282 11138391 12205978 4086817 [FA (20:5)] N-(5Z_8Z_11Z_14Z_17Z-eicosapentaenoyl)-ethanolamine Eicosapentenoyl-EA 1015493 1160182 2025855 2668356 2412074 3451130 552309 1660326 2720882 790449 1438412 2142440 1206127 1674640 2846830 1547036 1073117 1667893 [FA (5:2)] 2_4-pentadienoic acid beta-Vinyl acrylic acid 301678 313312 179787 479065 328171 165958 228940 266085 103069 270237 622397 150724 368113 362058 188034 272583 195407 201614 [FA (7:2)] 2_4-heptadienal 437764 3449748 350205 926795 3458061 452634 776170 3042555 402263 692771 3885062 447585 880554 3248984 428078 563461 3046388 585004 FA (9:2) nonadienoic acid Nonadienoic acid 252278 1712466 262425 446522 1387641 301268 418011 1189636 281189 429484 1653024 525978 400743 1995946 316422 497941 1814527 226621 [FA amino(14:0)] 2-amino-tetradecanoic acid 2-Aminotetradecanoic acid 708898 605713 465828 838084 444712 510133 402489 708195 FAD FAD 1401525 1348191 1532497 1148913 1601783 1307926 1035718 1750645 1086584 795453 1618547 1314348 903548 1845088 1554117 1454733 1081209 1339472 [FA oxo(19:0)] 10-oxo-nonadecanoic acid 1848755 1190146 1553821 1846950 1391604 1760194 1181758 1103896 1927889 1155217 1113362 1613821 1272283 1430761 1648020 1558232 1222932 1916915 FA oxo(21:0) 633062 439241 503689 671324 549940 283079 637343 414952 369930 614303 368716 565997 424231 627411 526944 [FA oxo_amino(6:0)] 3-oxo-5S-amino-hexanoic acid (S)-5-Amino-3-oxohexanoate 418004 276657 294749 251634 332939 264064 270505 321316 247354 238767 427300 352608 464326 479328 529176 328019 295689 329847 flaviolin Flaviolin FMN FMN 242122 215666 171509 188739 213067 223296 166012 215469 162069 158556 218971 193295 138982 314648 205530 212339 113422 223994 Folate Folic acid 52355 69866 formiminoalanine 120704 114608 128631 97368 110167 121170 136441 107859 85146 135432 93758 125816 100715 102187 101774 122417 92335 136129 Furfural 2-Furancarboxaldehyde Furfural diethyl acetal 468573 3045370 532465 503091 3502537 345667 850002 3034178 309661 462811 2890760 416428 426261 2804357 417832 483448 2974317 322235 Gamma-Glutamylglutamine gamma-Glutamylglutamine 21663710 20822696 22511258 11703102 19915970 16350473 20487092 35689384 23112540 12886855 18593448 20974362 12717530 23094526 20273246 26030752 18293912 26509702 Gammaglutamylornithine gamma-Glutamylornithine 540534 327571 361183 464613 543206 432860 367180 392837 342450 303227 389462 474570 579554 624027 834287 485394 266938 614113 gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 17195146 18803506 18567020 10421185 22274534 14043284 10359398 22885564 18639204 8690252 23484056 19594528 10660346 32942638 26230096 17178054 17773630 23219414 gamma-Glutamyl-Se-methylselenocysteine gamma-Glutamyl-Se-methylselenocysteine 8367773 10275254 10192890 8362180 9584064 9212609 7796968 10757564 10887316 8192747 7929680 10380500 8043330 8422502 9647159 9458805 10823343 10139302 Gamma-Glutamyltyrosine gamma-Glutamyltyrosine 225233 253135 210066 81750 163601 214710 413985 736521 534275 88304 115804 223672 75655 209541 221632 589871 494377 690405 gamma-L-Glutamyl-L-cysteine gamma-Glutamylcysteine 67454400 54598624 60379464 13568349 62309724 45119156 62144264 95222208 56260896 41224548 62689584 55372132 41752972 98281960 94111088 81551688 67966488 95946560 gamma-L-Glutamyl-L-cysteinyl-beta-alanine Homoglutathione 1876095 170357 472495 2115999 580325 512139 1361286 285938 401473 1613201 514264 408621 1932995 522451 1517262 540360 gamma-L-Glutamylputrescine gamma-Glutamylputrescine 169000 157218 139252 164895 163444 156515 109596 152378 154732 113498 137152 133219 125052 186422 176670 141215 136515 155448 gamma-Undecalactone gamma-Undecalactone 741306 1333164 1697012 1362853 1439764 1583075 GDP GDP 5738526 5445423 4930658 4557243 5855337 4328055 4133103 6166665 4499307 3518699 5909516 5481724 3241177 6939604 6095639 4897072 4455283 5528717 GDP-mannose GDP-mannose 1297603 1282840 1168549 1356751 1938230 1560982 946648 1657168 1065529 760210 1477500 1154888 1132128 2181220 1695517 1246245 1049405 1250748 Glu-Ala-Glu Glu-Ala-Glu 2363395 1814195 1575745 1747072 2397568 1501792 1563201 2393292 1089195 1117267 2382773 1855041 1539277 3084118 2449051 2254897 1391017 2139159 Glu-Arg Glu-Arg 5253531 3908584 4756830 3968309 4042014 3144838 3520665 4814567 3785567 3261240 5371617 5197555 4453526 5892112 5138177 4312082 4251251 4815476 Glu-Arg-Pro Glu-Arg-Pro 989430 802764 940598 857360 1075243 780004 697681 1001465 810583 540676 962843 1025849 771600 1300674 1200748 1112990 760459 804263 Glu-Asp-Ile Glu-Asp-Ile 611201 445032 411415 392835 478548 331023 371563 537188 350526 288848 563103 420556 445281 632515 529693 392071 319606 538844 Glu-Asp-Pro Glu-Asp-Pro 785525 563854 534743 782729 695838 578801 440734 754910 620377 412938 787328 650632 532746 968211 606386 566504 391190 646115 Glu-Asp-Val Glu-Asp-Val 5014471 3371443 3629343 3974127 4513016 3417244 2923763 4803179 2981324 2635536 4647107 3665175 3273514 6011821 4970606 4571597 2970755 4423768 Glucosylgalactosylhydroxylysine Glucosylgalactosyl hydroxylysine 108812 90138 66408 109191 104550 113583 103237 107440 74825 67142 84933 69353 62053 76300 109683 119089 85658 74324 Glu-Gln-Pro Glu-Gln-Pro 2245723 1691031 1679497 1713589 2072980 1599233 1377167 2271103 1302608 865240 2012011 2009714 1277610 2708258 2080958 1784341 1274185 1885587 Glu-Glu Glu-Glu 62556908 48568444 49336292 46729016 62798964 45597812 39354164 65668012 42281156 32323754 56958308 47487200 38360372 71366576 61666824 52681556 38675700 54736040 Glu-Glu-Glu Glu-Glu-Glu 3473626 2838892 2959638 2849051 3301610 2248258 2044195 3417775 2313999 1805444 3280389 2968460 1932528 4032477 3103619 2876222 2592503 3050785 Glu-Glu-Glu-Glu 211105 169923 205996 141044 202985 149648 142965 212770 174343 119270 182327 172439 98117 255756 193657 210171 176734 149650 Glu-Gly-Met Glu-Gly-Met 2526590 146986 495355 2821798 724391 580198 2169841 459375 436963 2519776 672594 428832 2688165 492672 2303022 565733 Glu-Met Glu-Met 205069 266358 276037 136342 278009 223820 234776 637844 403983 129661 317488 287574 121113 299516 281007 424968 359646 444898 Glu-Met-Met-Cys 2536419 1681225 2057149 511232 2349252 1295170 1845227 3207750 1666771 1114170 2817206 1785574 1475424 4515075 3625896 2772540 1928861 3192997 Glu-Met-Ser Glu-Met-Ser 277017 187905 212846 650557 292857 323923 169113 235278 162557 200021 379392 216979 230063 376915 298345 195726 99671 194604 Glutathione Glutathione 148855424 218281952 220842592 39676920 193534064 133806112 137544992 259931104 193142448 103209712 171061808 226082992 91203648 178407568 208289536 184564176 220150048 246886080 Glutathione disulfide Oxidized glutathione 9030146 13259198 17167484 2576778 12862320 9108526 9065853 19277284 15156739 7757492 8059210 17061976 5565581 10095866 9969437 14449759 10048564 16762701 Glu-Thr-Pro-His 792872 627192 762170 719589 603484 587919 528355 535808 531038 454910 695044 649491 638085 1103858 953182 484186 418435 551237 Gly-Arg Gly-Arg 372313 521365 442559 457674 579281 597839 348211 508219 425109 233974 439033 475722 380252 646511 598176 363370 397438 467429 Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 6369414 5419257 4683734 8338002 7190756 3819675 4118053 6443374 4315554 3430513 7258826 5043002 4677132 8947842 5712667 5201959 4440859 5044927 Glycyl-Asparagine Gly-Asn 460760 502527 352351 266723 495416 408225 357118 536205 246005 309572 467682 324010 395371 491008 429564 391560 318977 404973 Glycyl-Histidine Gly-His 2704948 3015547 2674479 2800974 2802785 2788513 2589474 2986822 2814673 2640684 2732081 2634262 2247754 2237516 2306947 2961127 2845336 2846436 Glycylproline Gly-Pro 297457 360682 397846 330707 515516 453681 253897 486115 334364 181835 381101 420030 286747 529767 1154997 344594 331273 625352 Glycyrrhizaflavonol A 511338 819624 1051947 168202 715254 649719 497320 1352979 1002076 410301 573505 1050335 252029 630911 873707 756540 716824 1260780 GMP GMP 7333339 7832303 11561887 5828801 9831156 9267693 6260562 9650423 10203793 5414977 9060728 12058817 6604709 13737288 13233313 7721219 11609223 11245793 Gonyautoxin IV 185292 113456 134984 253344 229865 174397 72212 147311 61940 195279 192446 150230 302428 119422 131064 130200 114810 GTP GTP 1476612 1585316 1200890 1156267 1801928 1166098 898007 1632235 927709 882530 2062138 1303897 634995 2569753 1994630 1173156 981442 1067255 Guanidinoacetate Guanidoacetic acid 904615 931885 767794 205685 582967 618595 714545 1056102 1143615 629813 546452 935343 324942 605078 681556 935735 681222 1237630 Guanine Guanine 2970264 3674688 5424002 8066793 20727390 12873144 2366449 4865005 4383738 1518718 3783541 5222352 6108590 15585843 15990155 2146501 3441106 4735403 Guanosine Guanosine 906429 1291245 1441808 1465930 2394658 2293421 682274 1629386 1403591 544012 1431343 1552971 883028 2583430 2798303 834766 1329564 1669533 HEPES 391101 511801 404944 440135 469061 460592 444226 519674 483646 464698 429424 393836 485559 603605 473589 393386 452042 430465 Hexadecasphinganine C16 Sphinganine 2560235 2312918 2149987 690561 1351227 999782 2255143 2565387 3165435 1471454 2793373 2463294 1734844 2806972 2172594 1791623 1653530 2923989 Hexadeceylamin 3208113 3074740 537283 13204825 2820028 607389 1373209 934676 2111144 1260103 8514867 654737 4501943 3972209 890532 1760262 766858 834114 Homoarginine Homoarginine 537743 331791 298308 367721 383602 334509 281764 414422 250199 334712 519310 334025 330048 673100 426819 403050 282211 310484 Hydroxyprolyl-Arginine 1135586 831125 955425 540936 634822 486340 846992 1389620 1118871 676243 956380 983169 637145 1253473 964708 1024409 975307 1141055 Hydroxyprolyl-Histidine 834975 781896 881598 423883 691207 458412 535391 1056012 687027 551901 1068752 753300 453584 1138502 731285 745304 812180 968628 Hypotaurine Hypotaurine 15021462 18944742 19920526 595173 16972438 11132779 9432981 22160466 18354222 5811041 8519788 20968284 5717628 20199518 19680230 14561411 22132470 19385282 Hypoxanthine Hypoxanthine 1389698 2741693 2954318 2575336 4770516 4785034 1060643 3488453 3082312 837120 3373305 2771131 1228009 3554936 4631041 1372272 1900338 3977333 Ile-Ala-Gly Ile-Ala-Gly 3790698 2603980 3022845 2427025 3164171 2220442 2482632 3694438 2715106 1841089 3639201 2972814 2535324 4354093 3040125 3222624 2198315 2976968 Ile-Ala-Val Ile-Ala-Val 829052 599070 652670 532020 717544 427881 522648 914194 479203 444157 897864 700469 517276 1212145 795195 657518 548399 758774 Ile-Arg-Gly Ile-Arg-Gly 168833 112471 130453 61167 88300 50413 117478 144976 105821 77657 142299 151424 96211 143816 82326 155166 117234 115887 Ile-Cys Ile-Cys 83616 182958 161667 229208 343991 279302 84562 70849 233131 138176 78845 255524 255955 153292 79448 112235 Ile-Cys-Gly Ile-Cys-Gly 422499 547562 616196 207809 557766 389976 340639 803787 517122 259706 896076 559363 403167 1028053 845653 525214 550898 674531 Ile-Gly-Met Ile-Gly-Met 4019219 3417125 3424982 2113763 3894737 2506032 2118673 4428324 3025523 1578818 4483621 3681517 1958191 5962598 4618122 2808952 2996174 3756997 Ile-Lys-Pro Ile-Lys-Pro 2836952 1982972 2093702 3418618 2776074 2361412 1612043 2919559 1910375 1421770 2575086 2000954 1860980 3726136 2964961 2478361 1909991 2093625 Ile-Thr Ile-Thr 1920842 1618888 1635736 1622275 2115314 1705334 1267655 2030908 1290599 900907 1886640 1629378 1383945 2772542 2038925 1713315 1238137 1837870 Ile-Val-Val Ile-Val-Val 979723 806691 1128457 2064096 1800015 1384955 564269 852215 586116 975692 1021776 1096582 1105189 1534038 1503208 767164 543049 1191923 Imidazole-4-acetaldehyde Imidazole-4-acetaldehyde 575447 410895 228020 462644 435607 295328 716700 255771 199957 571327 426426 294581 524005 175537 448600 442807 359638 311722 Indole Indole 293293 333818 319034 336716 469853 240897 209676 406587 341464 220608 367514 362978 244004 387987 304204 278080 220967 380933 Inosine Inosine 1035700 3063246 2368245 2556788 6330863 6762598 751305 3087187 2494407 541314 2532043 2478899 1022493 3791394 6351547 1014388 1852849 3366135 Isolinderanolide Isolinderanolide 973750 444228 871196 1026829 593716 853354 426117 561370 396792 660028 492415 731959 541644 672141 901358 829446 542116 1430262 Isopentenyladenine-9-N-glucoside 458652 376270 500202 64340 384912 716967 452661 313671 505215 574405 301519 368735 244705 629284 383036 591084 (-)-Jasmonic acid Jasmonic acid 1852486 222921 1763175 331097 397185 1596880 281211 1482696 1768791 320653 1535237 359814 L-2-Aminoadipate alpha-Aminoadipic acid 24576912 17489044 18412310 24952568 29083758 21130434 18945850 21687966 17171666 13821066 19567198 21683836 17152892 25614844 21712554 24018658 14840375 19478108 L-Alanine Alanine 10436617 10870785 10176846 4752149 10311369 6770207 7320441 14611352 9903053 6575473 11228712 10040521 6364155 10790085 8767074 9585103 6927449 9664017 L-Arginine Arginine 61149268 51854020 46099372 90921904 68500312 61254536 44057000 58076712 40467172 41040020 70791920 44441608 52698960 70647456 54018384 53909900 41120080 46253224 L-Asparagine Asparagine 2567983 3160364 3812852 1336998 3109389 2948096 2160648 3997916 3595159 1810378 2370709 3492204 1335508 1812227 3295019 2430671 1982137 4292776 L-beta-aspartyl-L-asparticacid 908322 726817 729809 554882 879442 606458 655909 1050914 559824 580261 782409 725939 693045 1260782 1103889 1080706 704052 882817 L-beta-aspartyl-L-leucine 355976 270323 282280 282710 280100 257200 456480 664777 460834 208567 252343 317796 242114 358007 277645 571452 398594 465795 L-beta-aspartyl-L-serine 1285598 1043777 1078117 968484 1164523 865463 878707 1126293 1069134 730159 1097423 1044937 934238 1356617 1114176 1061077 896876 1026217 L-Carnitine Carnitine 32166382 23575340 27618424 10032045 32686484 25610148 17833994 33983488 23337814 16163890 24232846 25473936 16553475 37958272 26966126 21715908 21367428 24383030 L-Citrulline Citrulline 689388 3294379 696855 404651 463255 488943 401163 995770 590038 459065 335631 699772 1102877 1259205 539065 370643 706963 685952 L-Cystathionine Cystathionine 480334 391196 538567 339179 506682 557479 332171 569576 502421 244413 361500 613878 344930 792590 627563 524969 410912 619696 L-Cystine Cystine 1411812 1109085 1015022 1957438 1818541 2078900 1807840 865904 804794 1580642 1042404 1105753 1167763 562581 962004 1413207 569799 882691 Leu-Gly-Pro Leu-Gly-Pro 1639687 1327943 1682572 1400226 1727725 1146673 946189 1912176 1578129 666728 1729861 1762682 1000557 2300934 1912533 1362185 1326081 1510477 Leu-Pro Leu-Pro 1475788 1026072 1080972 1557283 1289016 959422 831006 1209682 855506 681193 1224829 1135005 890300 1797670 1221069 889236 734833 905965 L-Formylkynurenine N-Formyl-L-kynurenine 1020920 120384 343102 901334 358039 419128 835566 231890 323155 688947 222359 296724 838833 161922 882543 340320 L-gamma-glutamyl-L-isoleucine gamma-Glutamylisoleucine 351179 286091 315612 199512 415671 282967 399883 542823 304953 255525 334322 338286 202977 426048 357933 476409 347787 502264 L-Glutamate Glutamic acid 753345216 812324608 701068736 679621760 864324224 665525824 669184000 949936256 639494080 651598080 793486080 691100032 666859328 878983360 841096768 836915456 763970880 790462208 L-Glutamate 5-semialdehyde L-Glutamic-gamma-semialdehyde 279292 244324 227554 170396 246036 182327 161437 316814 296048 183214 299056 279621 192548 265773 284726 235894 279433 284757 L-Glutamine Glutamine 65591088 70469296 60743060 124050024 133684016 129598040 67670136 77959168 52320312 85483216 89628168 60790056 54112804 37814844 87085176 88519320 35676480 99131880 LL-2_6-Diaminoheptanedioate 2,6-Diaminopimelic acid 34944976 23783560 25692910 49937260 44682988 30812970 19847998 32373604 19679038 17637202 38438548 25671902 29014784 48674848 37241376 26364842 20890244 23809184 L-Leucine Leucine 14557086 19970414 17991558 18146314 31195228 28231214 12083820 25627008 18106746 11977048 22931568 19590946 9672479 12797249 22648166 17827444 7868770 23994902 L-Lysine Lysine 60010120 55218876 44539080 82724280 67566760 53425196 40840472 53352208 34800836 40806132 64750984 43808504 49371772 70310352 54762544 64524784 33169026 46632164 L-Lysine 1_6-lactam L-2-aminohexano-6-lactam 2381944 625547 1184836 2566270 1694223 1526226 1281304 1080042 1011713 1172748 1237905 1002605 1453530 1333908 314607 1708008 214088 1152588 L-Methionine Methionine 6707210 10472614 10996652 6424960 16191409 13365245 4603538 13189457 9321283 4552173 12209252 9539331 3517307 7996965 13303716 6383898 5301090 13150535 L-Methionine S-oxide Methionine sulfoxide 2430070 794417 1307958 3526973 1845916 1774666 2203581 1007548 1206889 2558604 984268 1149913 2412907 854379 246443 2476895 260967 1335835 L-N2-(2-Carboxyethyl)arginine 183461 340437 329994 296519 336197 345074 142353 288354 328421 78286 344527 308320 71436 369894 218352 213443 309781 202397 L-Ornithine Ornithine 623609 677361 648526 637266 687386 576492 560098 835458 398671 487905 541520 612149 617752 647124 575774 601194 463993 578510 L-Phenylalanine Phenylalanine 72492952 77306536 76492472 57183832 94593416 67684816 48405688 100206752 82152360 42556664 82360320 75026856 53020676 86835120 83425472 68411368 46080216 84245144 L-Pipecolate Pipecolic acid 2115765 1684577 1970199 2133925 2372251 2052615 1493661 2138878 1589801 1323657 1660137 1630637 1668016 3115362 1867058 2020808 1274919 2010381 L-Proline Proline 8707661 17277100 12807751 6851247 16447044 12715424 6858344 19625122 12050667 7754102 13977252 13310882 8303786 16088605 16362359 14025107 13061986 15368539 L-Serine Serine 6041216 7599892 6165536 5502587 8402164 7225467 5007626 7935847 5391775 5118862 6375546 6457077 4915120 6412315 7788031 6044938 4461759 7854944 L-Threonine Threonine 5160120 6362611 5861823 6399256 11211753 8468591 4941494 8401076 5339651 5043646 7872145 5506435 4696176 4685228 7641602 6358166 3247898 7854849 L-Tryptophan Tryptophan 12123497 13296956 14140662 10630962 17145420 13845270 7863054 16149493 12473123 6405030 12703136 14498371 7087995 12677242 15333592 10982154 7448065 15380573 L-Tyrosine Tyrosine 114636480 108109016 111595056 90400824 125322336 105040672 89612872 124455752 96974824 83109584 113548376 115321680 88343336 116029544 116793744 120172112 81258952 123388760 L-Valine Valine 12141663 15213475 13794329 13712520 25369242 19568256 9793739 18680622 12898339 9010191 15499962 14537819 7678173 9352284 16611215 11859193 7371479 18443532 Lys-Asn-Gly Lys-Asn-Gly 1399028 881973 807027 694148 754331 629711 643998 1014072 719838 555242 1244764 886875 701671 1503285 898634 872903 697093 835347 LysoPE(18:0) LPE 18:0 1425620 1447814 2020216 2172273 1726265 2035514 1163059 1765447 1496317 1108770 1418746 1456696 661326 1560265 2113058 1108150 1205267 1231150 LysoPE(P-16:0) LPE P-16:0 1200538 1049248 896621 1888818 1737140 1467925 634942 1393231 820319 2185368 1073871 1993940 2136115 1102990 934276 699933 1609735 Lys-Val Lys-Val 138887 138056 153408 197885 150387 175907 96523 156359 118416 96360 133141 119248 99911 163743 167267 159198 116263 166506 Lys-Val-Pro Lys-Val-Pro 435817 414796 490312 394038 404680 406762 354693 603334 371020 253594 506994 438294 249601 797141 556684 399542 522937 557449 Mannitol Mannitol 23192030 34660472 10038306 46196764 25295060 11552559 16810188 24968330 10559464 20400456 64503352 12306902 20047796 29296930 13244690 16530471 20170186 13024977 Metenamine 2997375 2598838 2940502 2672443 2724066 2678814 2747615 2830694 2490946 2472675 2450003 2587191 2343846 2734377 2558211 3013844 2591933 2561994 Methacholine Methacholine 593259 534776 589598 195782 593683 497356 461769 699512 546160 309468 395076 545084 361278 767811 544442 538808 485507 605338 methanofuran biosynththesis intermediate MF3 Met-Phe-Val Met-Phe-Val MG(0:0/16:0/0:0) MG 0:0/16:0/0:0 Montecristin 3763187 2761449 4141169 3838976 3573982 4291267 3446885 2785894 3054220 3537702 2677149 4528572 2993063 3863676 4487418 3108974 2613449 4581679 Muramic acid Muramic acid 12060309 8719604 9759834 9285361 9497437 7221281 7615831 10161882 8767510 5715534 9280102 9331854 9295935 12202059 8574464 9812655 7781076 7771423 Muscarine 75229 58953 84247 68462 102961 97730 130570 66697 68314 71315 60825 96614 83563 72699 81198 98185 89561 89420 N-(1-Deoxy-1-fructosyl)histidine 1991082 1523619 1603429 1484643 1946957 1303159 1191559 2045825 1273226 1109227 2086287 1404486 1124176 2303732 1904208 1495034 1254753 1811286 N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 2984060 2493614 2598163 3592244 3632153 3225834 1803334 2930145 2692177 1748286 2909051 2846249 2318621 4365974 3412188 2622457 2274590 2667609 N2-Acetyl-L-aminoadipyl-delta-phosphate 451945 513698 508496 112402 242171 141186 371016 546562 511081 270540 441216 528139 147385 319544 307575 365832 485860 555537 N2-(D-1-Carboxyethyl)-L-lysine D-Lysopine 136157 207162 205686 165548 236718 163293 63620 169774 193638 60931 260007 213529 59360 211951 185444 121557 262893 132426 N-(2-hydroxypentadecanoyl)-phytosphingosine Cer 18:0;O3/15:0;O 69533480 32768820 44891624 86511568 46798380 80010392 36498224 53074452 50015808 39718500 31563620 49488516 51930788 49236692 64747968 57131020 32139150 64985000 N-(2-hydroxytridecanoyl)-phytosphingosine Cer 18:0;O3/13:0;O 10584630 5926805 8947539 9719744 10094742 12976051 7659973 7869364 7707909 7765660 7347869 9291162 12046786 10644813 12700304 8888389 5244076 11430779 N2-Succinyl-L-ornithine N2-Succinylornithine 3745934 3188614 2502228 8386114 4805811 4280353 2314518 2877106 1732890 1973335 3889879 2816865 4242221 5570430 5308366 2857074 1685984 2943556 N3-hydroxyethylcytosine 958868 1060670 922396 1029547 1235941 1115530 799378 1358530 950000 747229 1082248 904722 812026 1170021 1177659 1127854 786805 1031227 N6-(1_2-Dicarboxyethyl)-AMP Adenylsuccinic acid 750655 1010678 3271314 949165 1416033 3011720 538682 1602660 2744331 528052 1148903 3114653 384673 2165390 3708657 959608 2294616 3412436 N6-Acetyl-N6-hydroxy-L-lysine N(6)-Acetyl-N(6)-hydroxy-lysine 4874663 1509923 2861051 6508668 3939092 5384245 3055085 1978738 3597959 3076290 2845658 3002611 3166928 2687014 186495 4436571 215144 3067737 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 189559536 147007776 162386096 175781952 188476704 170816304 118843464 178086112 129765368 102360648 147515424 148701680 128088712 249012688 180805792 173905728 116300088 177362400 N-Acetyl-aspartyl-glutamate N-Acetyl-Asp-Glu 1559379 1177864 1722026 825546 1146985 768972 1181006 1639092 1325834 783846 1584793 1438355 769684 2061422 1492869 1274205 1039518 1818769 N-acetyl-demethylphophinothricin 299968 528844 314066 418396 340099 399230 426619 363904 415600 491105 456978 358120 414907 240977 368529 385897 388548 323634 N-Acetyl-D-mannosamine N-Acetyl-mannosamine 1294172 1122842 1233892 1518916 1615257 1485489 772561 1614077 1151454 748940 1127614 1178802 1082953 1817146 1489147 1125442 988062 1243775 N-Acetyllactosamine N-Acetyllactosamine 475107 643079 678563 71187 907932 474447 332159 813272 641742 245491 454761 629488 221025 523999 482769 537674 346869 563386 N-acetyl-(L)-arginine N-Acetylarginine 4562252 3415256 4056311 1162503 1853334 1135688 2998805 5717526 3948774 2672105 4742806 4088542 2345615 4599064 2816022 4352196 3535228 5496925 N-Acetyl-L-glutamate N-Acetylglutamic acid 3591837 2678458 2776524 1742797 2774133 1919126 2697333 4446127 2407971 2298669 4095267 3070887 2498876 4514905 3245511 3744767 2231250 4051743 N-Acetylmethionine N-Acetylmethionine N-Acetylserotonin N-Acetylserotonin 965730 770777 458401 1018949 976971 851807 621874 1085764 487032 507602 1171269 465079 443719 1220255 830154 701904 971353 495716 NAD+ NAD 44561604 39866552 40489720 47203300 55905392 46660964 33490280 43041616 34102468 24991858 42392128 41861028 36119804 54788440 46263616 33291148 32454312 34821328 NADP+ NADP 1516188 1337089 1589633 1240570 1559155 1210750 1063842 1630891 1364242 931495 1370819 1338332 1002547 1576262 1554606 1333532 1023554 1529446 NADPH NADPH 210824 651343 418065 115183 634339 241556 118331 799756 405963 63306 629231 392046 42607 1094636 631691 196829 758259 322742 N-Caffeoylputrescine N-Caffeoylputrescine 614315 343294 385866 1245693 884159 919321 300579 458157 252071 251144 460291 455168 602081 931746 777954 357417 218594 340758 N-Carbamyl-L-glutamate Carglumic acid 6049613 4746099 5471554 4967352 6628903 5423535 4214257 5912946 4458230 3519095 6042174 5777514 4845762 8099729 8701398 5046658 4082981 6535256 Ne_Ne dimethyllysine N(6),N(6)-Dimethyl-lysine 1329840 1166146 1119622 1247837 1390421 923223 971699 1485990 1000122 741197 1270078 1183905 904265 1641508 1268102 1038131 932919 1224649 Neuraminic acid Neuraminic acid 788113 623727 554505 771800 829779 596500 469935 667335 525301 395592 696086 609938 555141 1164283 787301 633313 401112 712144 N-Formiminoglycine N-Formimidoylglycine 141284 328346 240912 190489 116374 142684 232610 202724 222502 264066 221503 141491 267091 227102 294254 282688 324126 N-Formimino-L-glutamate Formiminoglutamic acid N-Heptanoylglycine N-Heptanoylglycine 471639 480942 414981 475725 454259 423226 428781 316114 416497 546327 565137 529643 420878 495643 214751 408046 602132 282461 N-hydroxy DAP 75919 66963 110843 136283 154187 124574 60994 126465 60591 57475 57289 61629 74718 190140 177008 62775 57491 118794 N-hydroxyisoleucine N-hydroxyisoleucine Nicotinamide Niacinamide 3386270 3648668 5017218 4184971 6510926 7027613 4691297 4296990 2672400 5076893 4917588 4524972 2441277 3907485 5518374 3111497 1970316 7079355 Nicotinamide D-ribonucleotide Nicotinamide ribotide 410183 469579 443865 439299 590126 466201 236497 484238 360306 263484 394821 492058 322943 599020 441606 389059 336631 388186 nicotinamide riboside Nicotinamide riboside 152708 113163 144736 134755 135647 104162 102741 160015 106225 126722 175957 136852 113458 231508 157961 176604 139712 161468 Nicotinate Nicotinic acid 6176091 6634972 5272484 5521457 10115714 5063646 3544787 6632911 3711236 2591201 7250265 5015093 4407270 9794799 8623027 2767429 2386173 5034865 Nicotinate D-ribonucleoside D-Ribosylnicotinate 254399 233585 264908 199940 224710 167998 167062 270704 186759 192457 269657 197360 227760 393160 291127 231431 273197 324492 N-Lactoyl ethanolamine phosphate 1342081 1267346 851047 1114874 1055805 565226 607900 1133237 562773 701417 2242526 652490 1089807 1617699 1009049 950591 903439 820763 N_N-dihydroxyvaline 313329 273381 210274 209212 314752 137964 259091 380057 181149 167872 375887 239633 259546 477245 401186 272421 220069 280736 Noladin Ether 346819 400056 287020 322525 427603 234188 261969 527890 286214 280805 305117 300969 260632 429391 342666 294118 390076 370422 Norepinephrinesulfate Norepinephrine sulfate 1181062 1262040 1515054 393653 1129227 1188081 868097 1605786 1241072 731480 1038244 1310064 521351 1413061 1510144 1450771 1174602 1530417 N-Succinyl-L-glutamate N2-Succinylglutamate 839776 736996 714867 436715 684121 505986 626121 967417 653601 428708 668857 794195 368571 892386 631432 647512 672443 671831 N-Succinyl-LL-2_6-diaminoheptanedioate N-Succinyl-L,L-2,6-diaminopimelate 802392 592316 605288 502544 714460 422975 539673 675430 550763 575185 922719 648935 548812 925498 779299 621335 498047 715606 N-Undecanoylglycine N-Undecanoylglycine 725919 324840 225361 1157031 573722 276617 572132 517333 774630 1298164 826024 520507 935586 274633 nva-FMDP 1483413 1224421 1197728 1006336 1489487 1058390 926650 1840255 970189 778365 1531156 1310764 821097 1958844 1662058 1338576 1085316 1752078 O-Acetylcarnitine CAR 2:0 5998139 5392041 5658428 2232626 7192388 5270461 4604531 6760594 5010386 3180621 4858831 6253511 3254578 8006909 5287038 5366289 4869023 5856674 O-Butanoylcarnitine CAR 4:0 588618 590236 699510 250224 644003 633445 475971 823332 636167 460054 537241 797795 379963 724880 758805 690442 624236 916496 Octadecanamide Stearamide 4352192 3056209 4199551 3124669 3336947 2618431 2353897 5249626 3307465 2825992 3209066 3616422 2785019 4467521 4177547 4642794 3689465 6204318 Octylamine Octylamine 834497 583013 689374 816683 626526 693371 691115 685617 486872 847305 843948 575690 941744 765972 788875 653588 728899 531503 O-Oxalylhomoserine 197986 171546 125368 118338 184254 87741 110632 342697 145903 52138 233089 140805 120944 229065 153308 153792 153444 155304 O-Phospho-L-homoserine O-Phosphohomoserine 285519 473259 307956 78733 272482 163300 358621 370214 331656 303925 430771 372928 172886 407779 266521 401751 347953 366731 O-Propanoylcarnitine CAR 3:0 638040 623248 743316 308234 650606 690057 541583 909850 671496 451323 480796 726578 395313 648941 682240 643922 629356 652769 O-Succinyl-L-homoserine o-Succinylhomoserine 1689293 1678712 1177989 968906 1627022 1033779 994385 2027241 925998 1010190 1611686 1181413 1151086 2035831 1437733 1487546 1181243 1634295 Oxypinnatanine 4326008 3841147 4932577 2908585 3178777 3620343 2814465 4760426 4548020 1901405 3261169 3381387 2743525 4153695 2468584 4290442 3282137 4417999 PA(41:5) PA 41:5 1435352 752012 1143205 1304619 1661760 1418207 1093819 1049877 1230667 1021938 1248836 1681957 895213 1003027 749533 1304531 563342 1216173 PA(43:6) PA 43:6 2897925 1930026 2294971 2157053 3050982 3019200 2258620 1875337 2570965 2335393 2225554 2642328 2004917 1854299 1489334 2616795 947664 2633445 Pantothenate Pantothenic acid 29777150 29702228 28422562 19192222 32426870 27046642 24440358 37902212 23725642 22913838 37787296 30007088 17455230 32839782 37679620 32358992 25638814 45295440 p-Benzenediol Hydroquinone 1290631 1749107 684169 2329836 1291240 852518 891436 1281760 721273 1181088 2970519 704996 1215037 1514634 805429 1050929 1187691 888622 PC(29:1) PC 29:1 1230061 1166527 1462201 1054683 1458631 1239787 1037730 1624616 1722256 1006239 1654927 1574929 1064224 1767640 1780985 1319793 1384892 1875310 PC(30:1) PC 30:1 22933558 19279136 23768328 22134364 26085792 24100754 18543608 19292674 23032412 19376392 21905894 24429612 20505250 27679746 30585390 20371190 17808726 20289534 PC(32:1) PC 32:1 54166440 45702100 54208860 42813852 43770648 31976184 37095716 46302272 42633108 37663944 47020136 52246916 40812464 60108224 61178392 44874116 40294980 55097360 PC(34:2) PC 34:2 133521440 116553952 138146816 121552960 136225808 128710528 111952552 125246392 125103672 112928384 124566304 137547984 112445168 145001424 159643072 120183232 102317224 139347296 PC(34:3) PC 34:3 9446423 8508786 9536230 10324245 11593022 12569930 6794823 10331082 8786687 6936397 7786879 10697150 7681783 9348211 12323488 7882536 7659511 10171547 PC(34:4) PC 34:4 2619828 2541343 2298060 4075437 2853607 3411063 1836539 2474272 2254003 2001665 2450629 2022630 2875668 2742588 3105453 1848060 1774423 1943001 PC(36:2) PC 36:2 308437728 283226400 288476000 221928560 259246048 214804816 277352064 316732320 284610688 258330320 286273568 293307040 263013200 321553792 304619392 292443200 260057984 309839360 PC(36:4) PC 36:4 32717332 28137622 32628722 65425764 45979896 59457844 23872172 29551584 34611836 23682954 34435664 31141644 29358992 41161396 41799680 26090214 24243098 30138620 PC(38:4) PC 38:4 22310014 20158602 19068536 26715446 26424196 26200530 15647506 22996288 19517214 13998747 20211706 21213268 18062976 29012816 23199152 18519702 16999628 19998626 PC(40:4) PC 40:4 7634892 7605615 6871316 5401912 6595777 6718373 5944637 8156026 7168682 5724496 7819464 6412116 7260450 6991718 7744386 7337599 6673984 7584962 PC(40:5) PC 40:5 13594649 11763973 13952247 12338220 12555666 14488824 10594169 13944854 15837048 11223389 12631119 15656348 11321395 15344647 15658022 11834283 11454647 14291308 PE(32:0) PE 32:0 4715338 2530150 3089166 3378964 1620519 3550763 4109100 2352623 1958203 3736587 1461709 2109414 4345801 3493722 3411967 4367963 1739228 2762870 PE(33:0) PE 33:0 66684872 81282512 71148440 95568624 109472144 105295752 75649520 96546056 76311752 62054532 84185664 91228688 79052560 125085176 124193480 79092584 76825608 99153312 PE(35:2) PE 35:2 5428349 4592829 4348429 4606159 6058671 5902741 4431977 4666802 4258178 3174870 4397852 4766637 4397464 5992490 5936498 4484909 3615212 3810154 PE(36:2) PE 36:2 8344044 8155047 8238015 5338946 8311636 6913072 7993206 8145517 8786243 7109219 7986269 8185363 8091489 9722570 8718839 8125399 7257734 8547103 PE(36:3) PE 36:3 2011708 1579245 1599286 1640740 1717063 2126089 1752802 2124776 1763837 1367084 1751323 2141139 1349727 2556943 1645776 1439643 1395741 1324377 PE(37:1) PE 37:1 41414340 33648492 57242472 29189448 39495424 41950716 24954940 53041000 53671592 16090367 18164218 42908780 22247694 55552912 53539456 39833352 38656128 68397448 PE(38:2) PE 38:2 10802789 5707088 11776411 8933743 10617045 11294743 7859754 9739485 9832459 7079154 9106292 10851751 8412631 10346252 11766045 8529044 8359859 12566178 PE(40:3) PE 40:3 3522056 2964008 2186552 1860498 3108945 2038407 2821039 3853447 2941458 3002354 4197219 4378497 2691189 4489370 3837359 3321242 2854250 4105217 Pentacosanoylglycine Pentacosanoylglycine 3550229 3753344 3411401 2614633 3267952 3745161 PE(P-34:1) PE P-34:1 670407 791058 571802 796331 600602 597809 333282 645059 498589 445236 618208 591092 440391 633170 666976 441992 410398 701380 Persicachrome 349280 387254 218147 447963 288877 235611 186588 310716 210724 174315 386985 229510 206616 277510 239097 216052 213706 229933 Phenolsulfonphthalein Phenolsulfonphthalein 185748 111927 315168 141991 374663 504480 146007 155262 106474 331449 220775 213378 181767 161016 285146 phenyl-1-thio-β-D-galactopyranoside Phenylethyl alcohol 2-Phenylethanol 885642 4427234 992187 961390 5000091 902005 882702 3875956 936766 859662 5062327 960162 1089136 4660549 1214554 1041543 4077556 790584 Phosphoenolpyruvate Phosphoenolpyruvic acid 597609 294823 256402 704313 551983 280456 394913 359201 160811 192676 423557 220516 373355 618640 409492 227088 182719 198268 Phosphonoacetaldehyde Phosphonoacetaldehyde 6893925 7090409 7019107 4985414 7530483 6473739 6262045 9066916 6419448 5170432 6739472 7821842 4212245 7143545 7962937 6270831 6536763 6752213 Piperidine Piperidine 1461947 1389818 1431333 1291474 1581545 1588462 1050934 1727485 1884583 821364 1231961 1744314 1150566 1888304 1829231 1181584 1267093 1537897 Pro-Gly-Pro-Ser 300605 260470 228338 211638 313622 239974 163641 289541 206975 162471 337942 256655 202994 377701 271694 279663 190305 274121 PS(34:0) PS 34:0 1214007 1284808 1250117 1497862 1657421 1712040 1014852 1279526 1110727 1006643 1626372 1428965 1141216 1689439 1559884 1063928 955072 1277155 PS(36:0) PS 36:0 5144301 5344790 4498058 5146388 6345206 4536886 4505835 6081019 3922265 3469720 5258898 4424368 3988705 4462393 4803707 4561758 4054037 4478361 PS(38:3) PS 38:3 2796849 2259136 2060045 4231157 3351482 3732259 1965083 2210284 2013176 2162152 2383252 2371975 2191513 2448694 2836465 2053669 2041285 2058673 PS(38:4) PS 38:4 2988916 2414012 2440857 8670071 4240127 5268513 2345641 2048418 2533699 2411946 3235491 2859673 2736226 2970089 3499752 2612912 1937561 2852751 PS(38:6) PS 38:6 1002142 894024 854300 1583720 1311970 1214734 640572 898183 594150 622483 834430 815839 955217 1203738 1191479 869215 948335 PS(40:5) PS 40:5 3545979 3478966 3068797 5786014 3884843 3923696 2837898 3416481 2864045 3100664 3692265 3218633 3262954 3752887 4530591 3459824 2905198 2640892 PS(41:6) PS 41:6 6340710 5121432 6516458 7240551 7200703 7417227 4973060 5441877 5965471 4686529 6085551 6418218 5778898 6658416 8576125 5494551 5754232 6051253 PS(42:4) PS 42:4 3895580 2638254 2554604 3110069 2949199 2417885 2363445 2605695 2697010 2725757 3717523 2786598 3544269 3993430 3340945 2836657 2242383 2506216 PS(42:5) PS 42:5 6101009 5193941 5517796 7591428 5008922 5231100 4750985 4277121 4760998 4437455 7530494 5299624 6827623 7034577 8016259 4593840 4178698 4782408 Pyridoxine Pyridoxine 10624351 11503434 10312763 9155047 13827871 9361303 7438967 16002119 9260005 7149515 13223183 9694281 7413182 12069144 12684143 11850014 8035460 15102817 Pyrimidine nucleoside Pyrimidine nucleoside 8891381 7279298 7247479 6243502 8001755 6009471 5701349 10159556 5785336 5163640 10305364 6873148 6159054 11049417 9714565 8369054 6508790 9748242 Pyrrole-2-carboxylate Pyrrole-2-carboxylic acid 229523 213542 240394 151228 173112 93092 202198 208494 160866 158432 210053 210334 189308 278861 243466 214520 140254 220818 Quinate Quinic acid 378192 313368 346949 418025 519228 338279 340346 486862 290350 321067 537900 337916 308880 582107 541323 409941 257814 576075 Ribitol Ribitol 364524 966577 337580 324157 549361 276488 301360 691543 399020 459966 958795 356335 310544 516225 315744 566618 454747 471310 Riboflavin Riboflavin 183300 185532 155832 214692 224281 300287 163157 256269 175856 144288 239681 221005 140904 275716 260995 202562 179072 317034 (S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 2284024 1949151 2052834 1911015 2295409 1524430 1476798 2490050 1509116 1238228 2543034 1961580 1694357 3049217 2397586 1989014 1556858 1882296 S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 1631036 1776302 2313495 1061917 2086262 1970063 896871 2534844 2247197 734163 1779298 2524139 974596 2974396 2623585 1392365 1777034 2312961 S-Adenosyl-L-methionine S-Adenosylmethionine 8177660 9440811 7856265 22511936 16167373 17205172 6853182 9956581 7703925 5603844 8784766 8568398 7853009 9422200 8731381 7165188 5809495 6882088 (S)C(S)S-S-Methylcysteine sulfoxide 2-amino-3-methanesulfinylpropanoic acid 207959 309382 313338 226469 69808 134068 494375 290838 60848 164804 321843 49050 546684 443602 234676 358989 424903 Ser-Arg Ser-Arg 416228 420743 452038 444552 500757 528663 254569 528474 376794 316210 489160 394888 325685 557549 543150 357140 473016 474929 Serinyl-Hydroxyproline 17039268 16389441 15671027 10781858 16037000 10577685 12814942 18489330 12083420 11660946 20881148 15975213 12665527 24559226 20947084 16674445 12767492 18379298 Slaframine Slaframine 423339 360395 332782 390831 439453 347970 300631 434321 377608 260405 369684 410163 302972 553464 533145 348571 284419 353877 SM(d32:1) SM 32:1;O2 861131 716688 1373460 1043485 761949 1541246 399983 1121237 1468177 413070 938346 1640688 592178 1409929 1326296 1298619 827702 1116007 SM(d34:1) SM 34:1;O2 8319994 5685181 7202390 9073161 9575124 11657174 5197330 6037774 6547207 4139732 5796638 9115433 5006847 7516238 8860258 8627573 4504504 9519121 SM(d40:1) SM 40:1;O2 771017 463510 993335 1318265 1161922 1639717 293629 949807 896214 231744 603423 916167 420737 904944 1339903 897243 479167 1694401 SM(d42:1) SM 42:1;O2 1958075 1367021 2057133 3710135 2785637 2877322 567924 2300828 1973383 540826 1847053 1743046 998010 2561844 2661216 1867719 1263092 3077700 SM(d42:2) SM 42:2;O2 2807234 1834073 3333901 3688871 3806465 4080857 1318094 3141582 3548224 1009965 2877631 3591540 1449234 3368082 4266465 2491877 1758222 4467961 sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 1063439744 1087635328 1330169856 1066575552 1318941312 1406451200 836671424 1338636672 1364247680 610104384 991476928 1330730496 707930944 1582629632 1439113216 1057182528 1016159424 1401040640 sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 26099832 25120860 24333652 19142806 26272822 18238632 20050814 30277208 21371138 16439029 24983648 25863092 19181288 32069086 25671042 24802382 22690596 26195736 Sphinganine Sphinganine 82627312 66097212 76506792 43087276 56005556 48250880 56461756 111973848 66809280 44429272 68972248 74299616 54266168 110180656 72934720 77518464 75171544 111099584 [SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine 2695817 2021873 1770311 1863730 2331486 1741300 1655441 3051664 1870780 1920687 2036410 1897898 2020034 3129134 1994689 2384282 2115169 2079842 [SP] Sphing-4-enine Sphingosine 7608425 5568768 9157840 4587307 6649352 8180485 4244426 7626844 6730574 3445919 6456820 8718538 5204030 7586042 7926942 6167775 4669683 7678614 (S_S)-Np-Histidinylalanine 168248 230006 186325 171395 318198 265058 71403 144952 172054 63191 217242 213120 81554 244177 259359 124096 192209 212688 [ST] (5Z_7E)-9_10-seco-5_7_10(19)-cholestatriene 3-Deoxyvitamin D3 449210 451005 623616 596795 376589 873714 560889 627131 396845 187008 476961 430384 370686 802501 611212 143865 452814 Thiamin Thiamine 524177 460855 453547 503418 684617 531693 369072 623398 393356 396319 598790 568789 281820 604919 703034 629540 410739 673822 Thiamin monophosphate Thiamine monophosphate 535934 378883 497098 1006082 920959 1158856 339633 495266 463118 295291 585872 470133 556470 997989 1065821 430095 454659 435508 Thienamycin 1570874 1574901 1726053 971103 1811558 1352490 876755 1513322 1379322 1103185 1722288 1807166 1172861 2531364 1962746 1462311 1305585 1611711 Threoninyl-Aspartate Thr-Ser 25299442 22089810 24479146 16883192 21677490 16480327 18302236 26401486 21225510 13029471 23412130 26144142 21876332 34602904 31451794 23573840 17115460 27679050 TMTT 647493 852002 721291 Tolylacetonitrile 150059 178537 225607 181151 270116 191432 83859 289425 201774 69705 187566 223182 57658 177158 219599 151306 82731 247293 Tributyl phosphate Tributyl phosphate 863343 686524 690456 401325 83309 385494 442028 2109191 657253 421783 94792 623454 343589 882625 574093 797851 554309 1717958 Triethanolamine Triethanolamine 275941 220653 236478 257077 286483 224849 207058 290709 241548 221021 251553 203053 199415 455025 196096 196464 434972 233757 Tris(butoxyethyl)phosphate 1937454 1594638 580324 749055 1870554 1685486 2296194 1995070 1949346 1767481 2088435 535904 1185912 768612 821277 3321934 3031976 1851326 Tyr-Glu-Glu-Glu 285757 222000 217112 316966 393687 216858 222963 297402 194715 189671 274696 202884 234102 357586 341446 228440 224877 228316 Undecanoylcholine Undecanoylcholine 1144332 1265030 858744 533156 1415962 658634 940237 1873128 1710479 651068 758110 1353088 724812 1184820 859334 1166605 761022 1444995 Urea-1-carboxylate 155223 144032 135795 155777 144583 120626 129156 131023 98757 147395 114790 120945 141899 136213 115629 141402 159692 133733 Uridine Uridine 582021 552367 251420 224573 314947 218275 172530 1042487 222621 282441 597308 189154 356659 394776 322797 941914 171689 269843 Urocanate Urocanic acid 724882 1770818 1152226 1006538 685161 893609 740982 1615360 923255 773481 528420 1068486 1347702 916637 984116 717638 1158898 1342102 Valclavam Valclavam 629085 651625 619286 639667 718259 510391 463906 907427 520638 438621 740066 716177 467592 792277 756885 648299 502643 752459 Val-Val Val-Val 460121 249957 282416 1254557 613098 690162 240000 288219 213447 171795 407583 398623 461479 660766 551907 282712 195507 232878 Xanthosine 5^-phosphate XMP 905652 1162934 653567 905588 1300218 815872 397616 904372 466831 509618 1190448 709691 982923 1836332 1009366 803754 656137 566777 ZAPA ZAPA 58168 68554 128827 66432 72916 42630 75108 79495 47397 66335 63110 62226 50947 47104 76450 α-(2_6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 5428514 6563552 6124935 4533303 7226959 5389185 3975379 7541369 5787255 4119680 5620048 6200140 4371427 7719256 6544494 6533791 5970508 6805824 γ-aminobutyramide 221566 231183 267904 265514 280616 254907 272363 220854 269340 307998 229272 205225 215443 219806 295086 238211 253923 235472 γ-Glu-Ala-Gly-CHO 2022082 1566822 1866088 1564828 1848875 1421029 1471355 1924367 1428495 949600 2156751 1715684 1430581 2617898 1913928 1653965 1325367 2055214 γ-thiomethyl glutamate 10586554 10642844 11328721 2843443 10953347 8075702 7075903 15125766 10544550 5621597 8432183 12218618 5488477 13082704 12241124 10022783 10795763 13425008