metabolite_name Az_E1_1 Az_E1_2 Az_E1_3 Az_E2_1 Az_E2_2 Az_E2_3 Control_E1_1 Control_E1_2 Control_E1_3 Control_E2_1 Control_E2_2 Control_E2_3 CQ_E1_1 CQ_E1_2 CQ_E1_3 CQ_E2_1 CQ_E2_2 CQ_E2_3 DHA_E1_1 DHA_E1_2 DHA_E1_3 DHA_E2_1 DHA_E2_2 DHA_E2_3 GSK71_E1_1 GSK71_E1_2 GSK71_E1_3 GSK71_E2_1 GSK71_E2_2 GSK71_E2_3 GSK5_E1_1 GSK5_E1_2 GSK5_E1_3 GSK5_E2_1 GSK5_E2_2 GSK5_E2_3 GSK66_E1_1 GSK66_E1_2 GSK66_E1_3 GSK66_E2_1 GSK66_E2_2 GSK66_E2_3 5-Hydroxyconiferaldehyde 0 109900 73400 0 96180 107918 0 0 0 131855 199972 162804 0 90092 0 0 145682 0 0 0 149473 167876 174143 192935 0 0 0 180464 142452 183005 0 0 0 0 0 118886 0 0 0 208970 165283 155742 Adenosine 144573 163414 175886 0 0 0 252567 276325 222891 97147 87686 44082 200994 134404 138662 92594 71254 90488 218946 139751 193074 89537 87198 82188 216361 219991 233190 68208 85368 88829 142860 136808 131507 72843 90992 82778 209092 218582 206254 107139 105890 88464 Nicotine 134050 117752 174900 130159 115941 155809 154524 170695 146984 149438 155569 104583 167020 113023 149482 165858 141335 107269 124156 152580 120734 137095 116935 98727 125100 131127 131177 118634 149641 128273 147745 156110 138351 122263 113213 129119 138574 157802 131452 131008 130067 123420 dAMP 67926 62117 96001 0 0 0 104182 89750 93110 0 18909 0 99155 44365 43817 11998 39847 12246 96109 43150 84641 64785 63792 53613 57686 64136 86590 0 15854 0 59510 68176 70974 33857 63392 0 83211 78523 72362 41950 65410 47898 AMP 2926767 3707893 3106600 804095 608341 472435 4990987 4558574 3855679 971266 752115 134082 4739804 2061449 2201484 798906 1040826 979108 4294663 3138912 3740174 2052931 2647467 2134325 2553709 5547964 3504594 474675 680275 718909 3900752 3537418 3054667 1330661 4760866 1347235 4409715 3806114 3861390 1626195 3058185 1890532 formycin A 189784 202337 291643 165032 161160 121499 76445 50902 89554 44963 31488 14359 106140 77447 106438 238296 280267 209881 52771 42107 40287 60917 45115 30116 179703 251317 198637 21061 38528 62032 141558 193152 228014 80695 83586 75974 80621 49109 60601 62187 62260 43725 dihydrothymidine 2396985 2151629 3144661 1011774 1045862 908495 2627706 2775784 2579552 1865623 1648244 612359 2448439 1771582 1654318 1429662 1368431 1381461 1764083 1146547 1334449 1917042 1565429 1338112 2425390 2617086 3107827 1011502 1495298 2038555 2926981 2353446 2557440 1172115 1425995 1097651 2619160 2530008 2398340 1873611 1797405 1756643 GammaGlutamylglutamicacid 31245 14223 27044 0 0 9599 41216 36382 29737 10570 10421 0 49194 34031 30537 27570 13863 24251 36432 34784 37385 28047 25653 0 45234 593731 46732 0 0 0 48731 39636 28598 10598 199754 8480 47226 41117 37802 17523 14203 11919 Ala-Gly-Pro 539480 559291 579181 544872 443523 357744 95716 111061 75813 57071 63710 0 397229 284874 278734 668629 560539 522967 66982 38841 68338 64973 51338 48177 886939 1227816 1038579 45879 65129 65923 683893 688264 651080 239923 361677 147174 88664 127286 96592 80765 89952 83489 Dethiobiotin 211488 241192 316034 111532 89163 103000 561127 604864 592696 479036 369047 159551 376041 276746 283713 213868 258163 245058 398604 252834 313790 458163 404588 344270 287424 283952 412053 228220 349686 472236 143360 140146 140920 174831 212003 201268 505381 454947 481466 413815 441963 457868 9-mercaptodethiobiotin 244838 289694 295783 191275 116807 196928 0 13188 15434 0 0 0 188006 123343 167775 276925 329403 277513 0 0 27827 0 0 0 439422 518010 516965 12990 18953 12962 277940 290838 291982 79582 92194 80456 0 35344 36960 18949 30334 18677 N2-Succinyl-L-arginine 306015 284043 282941 332712 230921 202848 23935 0 0 0 0 0 191510 113209 119126 350704 277270 317102 0 0 14403 0 0 0 436170 851613 516484 17625 14127 20085 373693 317622 274961 95518 166805 61926 15653 33816 32524 44397 39840 12934 Ile-Asn 86684 98135 119544 44760 49022 68785 51774 80768 71139 37084 63052 0 69491 54006 49522 90239 85014 110868 0 0 30430 49875 42649 42955 98192 284834 135432 39673 29155 66190 57167 24158 24854 47650 143317 30180 39945 59063 54689 63829 55057 63647 Lys-Asn 38710 15694 47452 75821 111347 36185 0 0 0 0 0 0 47576 9573 12296 106115 88016 64051 0 0 0 0 7964 0 43986 37348 41428 0 8310 12223 26149 33737 34074 41567 25572 14606 0 0 0 9782 0 13735 Gly-Gly-Arg 120463 159506 143551 58536 71186 45414 10116 8665 12094 0 0 0 81430 64431 110854 97899 81738 74465 0 12502 27789 0 0 0 144509 94141 129810 0 0 7074 98450 129176 107360 17264 0 11203 12053 15268 25664 0 0 0 Lys-Thr 105967 91493 129702 55413 88085 78253 51356 75001 83675 45573 42866 0 70753 72887 55616 93819 100981 124737 35363 32251 58752 41439 41030 36244 110425 330969 177452 30562 43044 47105 94863 69743 72551 48280 77582 40946 41989 80578 74996 44084 52652 39303 Thr-Arg 173967 183067 243187 107485 135270 96462 17704 21114 29853 11866 26370 0 100258 76832 85701 195028 231277 203497 9443 9910 27926 0 11243 0 233441 349058 309809 0 15919 20879 134638 139707 132223 51497 55005 41524 30082 35578 37110 33459 28745 15951 L-Tryptophan 145146 114615 117312 81339 73925 72162 192249 229984 185202 114764 87594 0 247877 157854 120535 116461 97947 112466 171717 132963 188364 113838 84044 83395 275533 748983 265469 88607 37519 115905 170831 110298 90546 74540 265130 84755 164035 175618 143945 81073 103009 96913 L-alanyl-L-α-thiophenylglycine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 876463 0 0 0 0 0 0 0 0 953691 0 0 0 44542 0 0 0 Nicotinamide D-ribonucleotide 451954 517795 185165 98180 110817 78018 255751 240421 242612 130582 112179 39056 299485 184115 268893 112942 112244 105533 296884 162678 236205 128596 124871 117797 208695 311719 290066 70561 110020 135290 233429 208099 160178 127673 164322 80258 249461 214288 232691 140715 112934 117007 5'-Methylthioadenosine 114035 198908 796358 22189 128671 268214 145805 430713 688628 162305 84810 149622 203926 353301 534216 86269 130316 207035 221951 593582 606944 78810 163367 156673 291090 491185 653498 23622 131180 249983 170807 405191 1077855 73512 62740 218472 180601 767764 734327 70040 62606 376171 Heliamine 264807 263479 274129 258837 268316 237945 262946 279521 259766 257193 271279 273185 278279 255256 252646 252876 254259 246428 290950 322092 266690 279602 279323 264294 263513 260008 256782 265292 285530 278760 257162 270996 236072 267679 262554 261185 304291 280737 277279 264375 274005 272315 Pro-His 122150 91031 111499 64437 44708 35258 74476 58552 52301 47515 57416 0 65379 42352 22558 45129 46939 48180 40327 0 25436 63156 44233 34021 67365 156213 86078 49803 44640 62311 74699 41659 28770 41844 126172 67835 76455 75353 41508 57258 63662 28348 L-isoleucyl-L-proline 241353 220739 151770 23328 25803 31321 147809 254494 280405 118961 164618 32884 395961 281894 301364 533449 527733 791154 209406 171283 105044 119585 92378 104312 456088 701846 857229 61359 169270 179512 290651 263594 267385 397356 295846 167261 142119 379493 365208 218178 178190 138219 Lys-Pro 510279 478435 741458 140051 181551 142944 1042049 1070769 1002572 524942 412965 174161 1047922 807951 704658 392917 419483 422590 704813 493746 617146 478311 398565 340080 819868 1072153 1162856 212025 377865 513591 350430 274443 281221 296909 297246 253421 1116843 1015833 966907 456860 411293 463540 Epsilon-(gamma-Glutamyl)-lysine 203566 122440 261992 59125 73254 42467 490650 529729 400959 97610 111341 22352 482376 303509 275996 96569 77943 94269 480564 219545 346083 111266 100028 70767 441710 543170 600335 77171 72622 111424 285526 218033 207644 90368 97218 54368 458612 456161 336464 91109 89395 80351 Pro-Arg 54884 59910 90435 46558 47817 43176 51791 59530 47081 19641 18618 0 80487 74078 70144 85796 77864 77765 44043 33061 52512 15970 20207 12044 90097 132142 119651 0 15654 19141 61381 62063 65089 29461 43047 14085 52482 65027 55033 26220 30769 31393 Glu-Arg 89536 86573 95758 39342 44907 39488 116427 90811 75160 57243 38013 13872 120556 72207 112471 66748 70914 56497 75834 80512 57915 50665 49338 44983 89973 43499 86032 31650 52526 77984 63372 82859 68268 36124 15494 49327 120979 69700 82264 48672 52976 54736 Lys-Val 269920 178939 205308 136328 118549 94181 262745 226386 145279 117836 112833 36415 237838 130979 99119 152951 147748 115303 161134 64509 129673 118986 105363 83383 244647 734575 297227 85237 85048 142292 203614 107694 65511 117699 358733 99969 194711 217592 139619 128592 131979 106847 Val-Arg 233190 172454 261881 227316 187108 165806 35375 15289 17395 29049 32387 11887 150832 85922 148643 260207 307468 307612 23741 25746 13403 34818 14191 0 287452 323673 340725 15937 23690 31153 137655 185237 132735 108226 69050 62044 40419 39585 29163 40149 34760 35463 Thiamin 164162 113118 181177 132487 141539 125359 214781 192659 169463 152843 127278 47539 235454 145205 121216 118145 131026 127066 201509 144170 161211 130725 110585 103305 173745 183061 215306 83175 105248 155010 248636 247495 212672 124832 140250 130139 187665 194187 171966 151318 136629 148729 Thiamin diphosphate 103666 88917 71737 12300 0 16964 92823 78291 85995 32530 0 0 101934 90788 122718 30532 23546 16948 97072 105289 106411 41366 19426 14965 85748 152709 107694 0 14440 15495 121925 98421 81507 15204 37428 10805 94911 74686 95263 22152 20622 16051 Ala-Asp-Pro 87873 85140 133203 0 0 0 115541 142052 104599 98469 84954 33308 102722 73856 72655 53809 51668 41063 85839 56103 74961 84034 72780 67928 74121 69701 83860 54194 83457 94873 15735 0 18532 20716 50489 16023 107815 103572 120004 90151 82983 94707 Slaframine 48303 49052 51447 68315 102543 105760 44297 55669 54202 127405 103182 63733 55601 51135 51511 84774 112248 91374 50278 34440 54208 107513 110584 87700 72709 56106 76642 70021 113734 127972 54009 52080 51679 116665 107036 103170 34411 45151 64336 124894 124597 96872 His-Leu 321001 334217 253720 0 108402 198892 308974 423753 382420 254451 260917 109364 258170 183005 188696 222819 245894 253588 264262 132085 172674 213549 178305 239982 208966 376946 343051 167787 224295 282930 119641 105878 121738 109580 219478 141414 416317 364466 284613 266247 310392 263442 Thr-Ala-Pro 52216 51538 61909 18219 20270 12867 92539 113572 112531 45766 55914 12795 86906 82317 70078 42011 37947 48824 64960 49634 67437 48428 47479 32711 89754 119661 120575 16774 37549 65983 33692 34343 30406 38725 35569 13750 87291 103341 98145 53680 49991 55195 psicoselysine 421580 1173974 909929 102504 223533 124002 391171 689003 450662 289859 206685 87071 427496 711491 974306 187676 225703 157167 384517 971553 661380 157255 293377 162188 434739 816161 868241 106144 234817 350401 538036 842257 452041 121302 249349 165109 371586 716584 694372 214363 311852 246339 Ile-Arg 217306 166020 249791 170175 170371 125245 58287 75697 96412 35442 36171 0 121020 86274 115869 235057 278391 219647 46317 0 18456 32485 16907 21240 279473 286227 270052 41916 33938 58995 116537 119167 106146 79753 69588 35090 137218 70580 49182 51941 60172 60905 Darlingine 0 0 0 171459 127319 131489 0 0 0 179305 149633 56680 0 0 0 159742 144799 156736 0 0 0 198825 137168 144157 0 0 0 87250 129996 198256 0 0 0 166554 216058 148321 0 0 0 189145 167628 155421 6,7-Dimethyl-8-(1-D-ribityl)lumazine 1634769 1384785 1648849 335521 350562 264888 2149127 2048083 1942583 540869 416876 175985 2256706 1602435 1519791 454954 439213 452641 2199093 1681188 1979200 549034 429752 361843 1950065 2438126 2155762 259046 371776 532293 2074712 2088811 1671750 354756 607448 346285 2079782 1966333 1920932 520236 581722 458866 Glu-Ala-Pro 74588 44695 103677 0 0 0 116474 147728 114999 59402 54691 13582 77375 66246 53761 0 18837 19037 79236 65507 69508 77715 64808 55561 52872 58677 70953 52621 51338 62119 0 0 0 0 19190 0 116056 95942 82740 63391 70943 64466 Glu-Ala-Val 72768 73619 96966 0 0 0 111924 123289 112631 0 52002 0 39634 55390 31711 0 0 17082 34479 0 52106 64335 50584 45841 70609 84850 71645 55334 32828 57925 0 0 0 0 34220 0 109279 95879 90007 68422 70718 63269 Succinyladenosine 489272 235738 377791 101529 114889 122901 481093 443434 342286 166158 118073 64737 466931 377692 510719 253838 219228 179310 392868 307593 574365 211276 184340 113310 358978 376457 441504 137664 139512 148813 561841 466957 397292 119144 181523 142068 434710 402133 381415 164022 166491 159900 Hypaphorine 0 0 0 0 0 110363 60833 49827 57180 207705 168427 75884 55432 44107 38391 168054 198129 179003 64924 42930 51482 183913 173209 191868 34962 63201 72527 101253 171319 266583 52991 66869 53638 201960 191898 180450 62188 47858 55846 219674 184273 209871 alpha-Ribazole 102196 92373 146431 81903 47128 75446 0 0 0 0 0 0 0 69657 37646 121563 103356 129027 0 0 0 0 0 0 108842 185740 178977 0 0 0 93927 90598 87476 40657 36542 0 0 0 0 0 0 0 S-Inosyl-L-homocysteine 92845 114985 88015 0 0 0 95476 88948 90679 0 0 0 110605 103498 87042 0 0 0 126407 88015 92959 0 0 0 102676 122472 122458 0 0 0 107280 76982 62376 0 0 0 126170 113637 97914 0 0 0 S-Adenosyl-L-homocysteine 3078307 2486116 3575707 376788 405723 338050 4620595 4536242 4321271 974371 849355 356564 5354080 3658121 3197468 783398 739870 820051 5094866 3533569 4253515 1073306 780988 692857 4252962 4826540 4706260 571803 758805 1256989 3407720 3590781 2907308 743968 873538 632379 5150773 4474364 4341298 1040780 907504 831681 Ala-Asp-Gly-Pro 31133 32344 40382 0 29611 11650 0 0 13176 0 0 0 10978 8829 0 0 0 0 0 0 0 0 0 0 17087 31703 31461 0 0 0 69931 50874 62668 40717 43019 36536 0 0 0 0 0 0 Ala-Ala-Ala-Pro 0 0 0 0 0 0 0 27883 29111 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18840 0 0 0 0 0 0 29865 0 0 0 74741 0 0 0 0 0 29120 0 N-Acetyllactosamine 61460 51905 50252 47759 40227 18413 88793 74922 72319 44346 33781 0 101250 66753 52651 32629 30661 34743 78019 39246 67838 48965 34802 29871 76701 140219 96061 15447 16146 39888 77485 60034 76960 39037 80754 17063 62789 74768 71013 39157 50918 29506 CDP-choline 496709 496521 702236 151590 176498 169720 723999 845418 736828 241817 205007 69480 717975 517504 458191 244288 233840 241686 672283 417818 669665 279198 232627 180850 661340 860664 868409 142425 208115 267885 1045411 797433 699946 236662 276293 177640 667670 774894 611146 312030 240059 223252 Trp-Asn 154108 114137 129919 0 0 29328 154482 160256 172096 123038 93667 28326 99272 94510 91723 77143 68773 70086 74280 50606 88159 127137 97278 96146 40699 127570 86511 85508 98356 124225 0 0 0 25105 93295 0 166632 160869 149845 132589 138444 120326 S-Adenosyl-L-methionine 1373957 570570 1172341 1285414 1519198 551373 455611 328341 283384 855485 560605 189655 1645905 487819 923576 769387 711670 355418 1124068 1471313 324376 636973 436529 358463 938359 285016 544105 298033 455347 695460 1283436 2085529 1513939 964359 195327 1000101 808914 462612 360204 712819 414286 642732 Glu-Glu-Pro 221769 202088 249626 39305 45545 44951 143902 135138 119071 116851 69859 35999 159194 116150 118114 102110 93560 91904 94342 78487 85385 117922 79167 51669 151211 311770 175885 58299 79096 84495 106502 89926 91982 52926 117715 53695 151651 132227 133284 90224 94162 94557 L-Tyrosyl-L-arginine 373522 392233 428734 62810 59672 60737 271968 275406 257057 97277 78219 31979 238182 177086 143382 106933 110082 92186 133064 81496 108462 89911 70205 45329 234690 242924 245666 79886 93420 106895 94040 76016 70337 27864 50166 31337 362158 211788 211084 76282 109856 99310 Ala-Val-Gly-Pro 238244 232968 317410 0 0 28114 359154 529536 471783 129024 145431 77579 257564 267807 209360 80751 105890 127682 308943 188789 257000 213592 149953 141662 279412 456154 411153 136461 175753 197736 20737 0 21756 53184 151771 80719 334929 409205 373823 163045 250498 224411 Ala-Thr-Ala-Gln 50325 40376 53173 0 0 11730 52540 76932 78632 19371 15970 0 65940 51120 47721 11749 0 14598 59230 45517 75061 16313 11367 0 63776 116586 96710 12877 0 15141 58542 52966 51857 28972 25562 0 59825 85852 68103 12816 14928 16297 Ala-Asp-Gly-Arg 49375 48277 81577 0 0 0 88169 99364 89015 24244 26989 0 88341 75943 64232 21206 29218 20291 87517 62039 69884 27518 20410 17995 72926 95634 135450 0 19670 30673 175037 147093 106312 23516 14945 0 92913 99446 90506 25792 17657 24365 Ala-Lys-Ala-Ala 282595 196506 182488 0 0 0 225199 232617 207900 62829 34979 0 250093 120830 67377 64521 45088 33078 110616 0 98566 95528 36974 35869 220945 462518 255357 16258 37124 67527 25682 0 0 14889 127897 0 230295 220963 154103 92952 72499 48058 Febrifugine 753094 707588 1097257 97994 143151 213152 915299 1007967 980853 689454 597228 205182 606411 457662 413803 303448 330051 268439 630180 414769 474078 682846 605248 552168 365881 425548 647846 378869 500517 765084 344082 274125 351226 291761 382327 310068 834696 810800 860785 685538 749449 786788 Glu-Glu-His 81056 78857 86059 16019 0 16446 93270 84340 85712 36048 23240 20357 102292 69615 65133 46420 43181 34609 79866 64657 67537 44142 32609 18602 72650 115914 118573 15890 33089 38629 66201 41555 46397 29614 56805 32928 84829 77344 66947 37737 33746 52305 dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose 48720 0 104798 36680 36900 0 95221 129466 123651 45737 81222 0 70937 138356 143620 56508 59463 66615 102005 70151 116821 59986 60691 47467 83466 33178 141746 34340 17606 81266 82793 140015 114300 45472 70542 0 92876 179517 139593 68723 56832 20671 Ala-Leu-Asn-Ser 92339 52753 219600 52308 41784 43438 222252 308327 200452 59335 54039 0 280481 195762 125977 89118 57710 51702 290884 181065 207972 59454 52022 41983 254632 251354 310690 25960 40953 58736 181279 188290 165152 78051 77639 19991 250395 312028 221127 55894 51852 35592 Ala-Asp-Ser-Arg 62494 59527 0 0 0 0 59506 55802 63964 0 0 0 70594 71520 48230 0 0 0 25934 0 70883 0 0 0 57315 123127 71254 0 0 0 96272 22056 26651 0 0 0 0 35041 26348 0 0 0 Lys-Trp 0 50681 121169 115690 111660 86128 0 0 0 0 0 0 87975 59495 82458 330185 457429 362725 0 0 0 0 0 0 214727 214844 241194 0 0 0 28224 46672 64351 50225 33394 37425 0 0 0 16493 0 0 Asp-Val-Pro-Ser 1427823 1267480 1859271 776720 699035 678501 2498746 2792146 2689273 1057358 1178275 502669 2314198 2017619 1905789 979494 1061773 1129789 2239162 1874972 2403869 1517148 1110077 916515 2250303 4661447 2564718 704445 1109970 1209555 2120813 1690754 1783179 969957 1996748 800106 2389584 2684350 2449602 1256454 1485952 1320344 Asn-Lys-Gly-Pro 0 0 0 0 0 0 45472 97907 93397 35685 34229 0 51335 63143 50087 45285 41256 44711 34519 0 44382 33500 16852 15745 49999 112661 87059 19106 27406 45584 0 0 0 0 30509 0 52844 85489 78944 44105 51787 37798 Ile-Lys-Pro 348050 342645 434413 302484 348418 252609 462085 435568 398074 363109 304139 110531 435698 320812 335392 267490 322969 304010 491826 366319 386066 382385 261811 253841 401316 438012 498549 159702 283248 358647 448520 447854 384819 329743 379423 300564 487100 424449 424698 344644 408670 330613 14-Methyl-8Z-hexadecen-1-ol 0 0 0 0 0 0 72904 106280 102214 136879 262471 352050 75935 148289 129168 147042 226489 225825 184671 81060 65876 112832 189912 251825 48010 75873 79840 146987 188059 201133 0 0 0 216739 175002 199866 75017 102401 100679 212911 195763 268324 Prekinamycin 294802 216569 427510 53525 66671 95587 400517 490049 394569 75508 54619 24404 467575 345333 312871 115313 95897 145127 446295 297654 439064 111519 81358 74901 424415 400908 563417 47738 56538 70908 570931 395836 413516 56835 182904 63239 321755 437399 423027 87159 109875 107270 Ala-Leu-Asn-Pro 405485 422975 486724 162845 188786 209977 202110 207525 205464 154510 168969 53116 159469 141816 138949 131588 151542 164296 127285 96271 118660 149782 113677 109943 207356 325483 303751 124018 152089 228224 88745 27930 57229 128381 209479 144854 163039 220809 171170 185418 227623 193918 Ala-Lys-Asp-Pro 417460 217378 652995 339442 385756 273883 193856 202902 187790 247765 207418 99985 206692 161562 135757 248170 227121 207013 113990 70354 90547 179801 140822 116235 246078 301521 334612 165314 204134 295837 94480 93531 104785 252710 280879 204634 305003 213664 217834 286130 215346 299111 [SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol 0 0 0 0 0 0 114358 143970 96833 112070 180298 46959 66249 70813 58034 151247 160876 228499 96251 73077 91001 205440 111551 127322 0 0 0 98926 158605 205758 0 0 0 152713 106519 161008 124660 146626 94678 137385 253861 131620 Ala-Phe-Thr-Ser 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 226794 233031 160121 59683 53042 67231 0 0 0 0 0 0 Ala-Glu-Glu-His 1284753 1017675 1258471 68703 123344 105004 1312802 755590 1063101 790938 304363 220516 1284839 784337 1091540 783964 752391 432350 669088 853144 828545 713490 410511 202883 987233 1632148 1107356 231574 433685 400459 109466 74181 104211 286088 227861 268488 1369066 655405 914550 502919 319989 409579 Glu-Glu-Pro-Thr 20491 17602 32516 0 0 0 20898 35159 27030 0 0 0 0 16238 0 0 0 0 0 0 0 0 0 0 29556 46621 32928 0 0 0 0 0 0 0 0 0 11121 37419 34705 0 0 0 Ala-Leu-Met-Val 0 0 0 0 0 0 0 0 0 0 0 0 24465 44489 42173 16359 0 34503 0 0 0 0 0 0 110321 233895 141553 0 0 0 80900 0 55340 0 35297 0 0 13860 0 0 0 0 Ala-Lys-Lys-Asp 327275 177997 167051 0 0 13908 183504 207505 138165 58394 41453 0 143753 75830 31634 40935 31680 31045 90500 16684 80359 60738 38412 15504 132877 476322 173922 35891 19044 45187 0 0 0 0 209952 0 208896 151517 89546 53568 64948 37446 FA methyl(18:0) 505071 381415 815580 4503792 4732570 3491440 701373 879321 674902 2058888 2087861 2864289 905353 2429840 629184 2152601 3565483 3204104 3021567 664419 597638 2033592 3173429 3209823 507377 525189 644819 2108314 2353222 2263151 721472 813825 597803 2846796 3148599 2414010 965722 694678 636570 3186372 3071989 4464732 Thr-Trp-Pro 0 0 0 0 0 0 61370 68262 71937 24393 34319 0 57822 43055 32395 20872 19110 30996 49293 20345 38428 29106 20360 18964 0 67951 29965 18019 20665 45934 0 0 0 0 0 0 74118 69937 57293 23419 45461 42554 Asn-Leu-Pro-Pro 565958 647929 664819 159268 166832 171804 253525 351643 383572 174475 235990 68941 235281 197159 204901 174153 166277 199528 180815 55276 130919 174436 151494 164019 366206 741987 560398 205462 225758 321292 0 0 0 131314 230759 130971 308948 364551 292354 266116 309944 232267 NAD+ 18925906 14038634 15121507 3371472 4079784 3980177 21365754 15364189 22017882 5401666 3364510 1304752 23520100 18402534 14283714 6316825 6938895 5553176 20358530 13226708 19985496 7993613 4829332 4476426 19777376 24900044 23256840 2337724 3501482 4326242 29095882 20459510 16020760 5677986 7396545 3480340 22904000 18645610 22609266 6005651 5189649 5629482 Asp-Ile-Ile-Met 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2197791 937836 3843315 476781 522974 795315 0 0 0 0 0 0 Ala-Phe-Gln-Gln 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2405877 3021964 2378991 389658 290471 274256 0 0 0 0 0 0 Glu-Ile-Gln-Lys 139854 60598 48196 65720 62898 56334 0 0 0 0 0 0 27150 17633 24979 57256 76657 68230 0 0 0 0 0 0 111475 204606 109371 0 0 0 115409 70981 53954 0 35211 0 0 0 0 0 0 0 Arg-Leu-Lys-Asp 77539 99070 125349 112129 126346 86936 0 0 0 0 0 0 84371 73278 104208 238380 249065 188467 0 0 0 0 0 0 217192 145402 219691 0 0 0 61106 119653 118557 56215 45357 31330 0 0 0 0 0 0 Ala-Leu-Met-Tyr 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1923523 2076267 1607709 578443 697052 591722 0 0 0 0 0 0 3Z,6Z,9Z,12Z,15Z-Tricosapentaene 0 0 282868 0 0 0 325228 497820 382675 79951 198113 113280 374029 311394 390850 217625 382448 341452 661944 335180 310956 343531 220894 154156 365004 336935 357161 201137 249351 290326 493727 374807 265528 185575 182186 216344 584846 614136 456569 283618 267285 242755 LysoPE(18:1) 362469 278857 338645 225768 172373 202814 312185 408714 410774 194224 306010 96222 382302 484981 426454 227857 179042 178010 315658 365300 439658 220027 213032 209242 364371 480260 460155 224445 184215 298235 490176 375529 374501 205087 245963 259115 364028 330908 447233 252129 230899 198443 Asp-Glu-Ile-Phe 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1285774 1443720 1180467 154638 147141 146046 0 0 0 0 0 0 Bis(2-ethylhexyl)phthalate 396472 329304 380428 1341135 343149 390145 312064 409195 370242 325598 418220 373706 370400 406436 519878 409774 458141 420363 442928 304358 540561 582244 597361 482059 402979 437354 376321 446244 475398 358545 743015 607404 809215 532593 511321 674080 290419 392149 559392 633182 397846 422060 LysoPC(O-16:1) 298995 332889 390772 213717 198401 219082 228459 374279 412032 196178 242937 173475 335136 365415 468687 195688 175482 204202 302939 279275 354657 197506 195453 244812 344670 432934 328369 241011 198843 249560 391080 334220 327145 176530 203457 252738 249794 306945 409541 253998 219713 205286 LysoPC(16:0) 1175317 923323 1836655 1064007 1124015 1464106 912508 1578543 2092790 1169835 1568046 1352376 1123700 1604774 2550167 1646032 1304742 1379524 847486 1901178 2890774 1377832 1487322 1209961 1260845 2314955 2024552 1638410 1262469 2086391 1167506 1543788 2255053 1127450 1678102 1581563 858860 1802886 2559280 1170860 1382836 1329257 Pro-Thr-Trp-Pro 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 80218 0 0 349252 0 0 0 0 0 0 0 0 0 0 0 141420000 139454528 141658480 27532872 39547708 34649284 0 0 0 0 0 0 Gln-Thr-Trp-Pro 0 92663 0 0 0 0 25654 46043 51452 29709 46434 0 40267 37110 41573 43025 59322 38881 0 0 18451 19802 18479 28867 41650 95317 96235 16445 50763 44109 24779 0 30507 50185 115145 48731 36186 55153 42255 46476 40332 41145 C25-Allenic-apo-aldehyde 1248476 1276865 1559266 1224535 1638930 1396494 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Erythrophleguine 500737 500999 638488 0 0 0 663673 854395 876122 0 0 0 594166 749608 724462 0 0 0 612971 494090 707754 0 0 0 809046 968186 742953 0 0 0 527969 509974 441054 0 0 0 383983 649340 750727 0 0 0 3-oxohexacosanoic acid 0 0 0 0 0 0 0 0 0 626216 824671 322577 0 0 0 574289 813158 743364 0 0 0 827746 575909 506349 0 0 0 766049 655122 749141 0 0 0 551966 523483 565786 0 0 0 698876 404367 685776 LysoPC(18:1) 554247 452517 1502333 436929 607636 783232 523673 1231508 1980001 689258 886381 795332 776254 1021724 2097161 651948 669764 719743 554610 1596803 2255997 658901 925618 750592 905055 1762781 1468701 850012 761960 1229945 814045 893985 2139946 682598 676300 741748 480748 1634583 2462677 632517 671868 732757 LysoPC(18:0) 1609789 1229269 1537076 1528038 1620416 1712626 1337161 1475461 1854401 1622683 1938311 1443644 1354247 1457693 2348996 1872421 1850713 1687494 1212841 1452156 2261217 1798398 1890940 1811658 1567407 2066568 1803652 2141966 2020785 2193334 1544484 1559340 1777862 1488533 2094047 1885272 1100885 1553255 2130995 1909150 1819926 1802906 [ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol 106554 23861 122793 136067 106516 107094 124586 162931 137028 105777 118743 62865 178769 139875 132573 102865 115529 135254 145237 98897 175414 146796 104044 79910 158000 170028 146338 101300 146666 122654 123669 86855 109776 94724 127132 85728 90217 122551 119299 92565 90209 130485 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 186831 19382 340656 330373 201618 371761 147732 235325 430046 166066 241532 200967 167885 195899 233290 196085 186335 326686 159483 165338 563532 125085 279217 244189 192962 451264 351978 197538 192161 140304 227484 249181 145596 234386 214000 162563 114417 237837 194288 126315 197773 177739 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate 573569 72394 521030 163505 177166 56818 478953 536331 379962 89757 64889 59753 281968 433929 143266 117625 165982 136715 315771 645190 441213 170365 238803 165119 476813 553539 464142 151912 0 0 201713 301955 800047 151809 58570 153943 170394 262094 346993 74108 0 72300 PD 123177 0 0 0 0 114533 0 125581 0 0 0 0 0 0 0 0 355512 0 0 1019066 0 0 0 0 0 0 0 0 0 0 0 557744768 584820224 590746496 120974400 161890752 146446928 0 0 0 20795 15510 0 (24R,24'R)-Fucosterol epoxide 453579 266522 406323 321584 298893 329953 358548 422701 448955 307311 315482 190677 439504 461753 390395 299923 344210 321794 392206 348758 412808 449211 346948 368080 439320 667589 525125 280744 296549 333788 509217 455310 434775 367243 327393 368602 316466 344144 437138 353087 384544 386697 Phosphonoacetaldehyde 90453 59443 132596 18753 16434 0 221340 219708 205355 38438 34686 0 249036 180073 144983 39893 26906 19038 253104 229687 158492 41771 25184 14295 219973 246382 248517 14102 16365 40913 444896 487115 297556 40534 34424 17079 193870 166005 218686 37294 29311 31611 DG(32:0) 0 0 0 4199014 3774298 2807316 208844 620318 267132 1393743 2334713 2766815 149850 805582 0 1063566 1522535 2157534 1026282 0 0 1462929 2037718 3147062 0 0 579179 2321341 2328012 2165099 0 278738 319419 2566182 2004676 1623319 506089 839575 200939 2574015 2696388 2292598 PE(32:0) 96049 53838 273500 426771 338848 317259 256316 492746 366659 205026 332285 252834 307657 335299 244365 269926 285164 365933 369632 207233 307828 350313 330485 358837 251177 311223 481105 311439 295664 324215 330655 419893 367431 272747 458555 324922 380113 527086 334406 290241 348158 315273 SM(d32:1) 612984 314950 491994 406790 563632 643190 466664 600874 554225 527341 589917 360384 500575 585929 643211 618784 558962 638309 605443 596816 551128 593737 756043 611196 589846 670140 448776 546200 581939 612500 607125 463157 619253 638524 838361 490994 570822 606824 546423 631633 668659 523515 PC(30:0) 1388452 191662 2229168 1466096 1467241 1336994 2341501 2712209 2270302 1188536 1431483 909779 2134899 2085143 2167695 1223253 1433653 1294622 2493444 2262332 2466851 1232176 1418665 1366776 2295608 2612682 2819415 1465078 1334665 1625656 2522606 2720979 2599377 1490388 1445863 1388437 2560301 2855119 2252175 1338586 1456723 1277152 SM(d33:1) 413120 151087 516421 545906 482675 475929 451917 450862 566420 432435 457621 330924 549401 407946 612140 552467 532022 462295 375277 376482 436014 481751 266302 476661 368434 489107 401762 544523 486561 567115 402554 641583 425763 461370 507178 519039 257284 441119 499617 452439 509380 533558 DG(36:2) 479563 17100 10221873 6443586 6642124 6244477 9524058 11384455 9722359 5515454 6927057 3516200 9636897 10410416 6281330 6388112 6997869 7138005 10539238 7788419 7839257 6174275 6143914 6400652 9378451 10296599 11096405 6949354 6780609 7456832 7849554 9117894 7958719 6502514 6849324 5559166 11005347 12330369 9693774 6836049 6799679 6013144 SM(d34:2) 672549 376238 627321 650989 555226 676109 537943 593869 509871 537884 639886 366346 483482 491665 672899 698952 643717 586909 458781 433644 671500 643259 642465 632349 596089 693095 680448 588206 626960 777452 669744 503567 451282 666554 744576 545654 410177 631609 597298 534900 769725 547060 SM(d34:1) 3495099 697459 3872077 4183159 4393227 4653890 3554144 4315582 4199633 3888456 5265783 3102766 4278567 4207334 4283115 4798534 4410325 4496026 3818359 4093943 4232940 4503001 4572458 4741652 4231458 4946511 4684786 4859089 4237843 4896997 4412061 4105590 4109480 4218075 5933520 4118242 3730305 4629342 4409160 4661778 4937149 4387860 L-Alanine 89861 47066 148736 126261 113168 105694 213099 239242 204591 154157 138050 65236 214496 157341 168297 203013 157337 167571 214775 141309 170397 176985 138510 115409 254499 296838 291469 102541 129750 172570 101021 91934 105684 135233 172316 100578 218411 188995 158336 152576 161444 159292 PS(34:1) 268993 28792 1109563 1083180 1042782 1122083 1112899 1696322 1634352 726853 1046887 654269 1194828 1467629 986575 915291 895746 1243452 1251689 866061 1237920 1117365 1050246 1273056 1152156 1455499 1791733 1196332 1044127 1160676 1970768 1573975 1827404 945302 1339372 870099 1235210 1995631 1548205 997187 1334710 1022274 PS(34:0) 889587 60761 2879016 865626 1164169 1320836 2138501 4004266 3800951 590450 932225 421474 2531942 3304002 3153266 728571 749775 1065060 2728220 1891759 3852608 787960 837859 1084134 3121651 4409396 4268006 1023376 733618 939432 5855434 4561951 5298081 792290 1585192 770748 2286026 4234113 3381840 817919 1125492 816623 PE(35:1) 2310906 259636 4003251 1335638 1511262 1560936 3499487 4542287 3984514 1473857 1615061 681472 4226421 3516796 4103609 1538504 1745884 1568207 3721099 3406618 3863654 1699706 1414830 1487217 4258470 5378871 4562041 1704921 1587182 1703831 4322953 2559577 3855074 1279179 1864521 1294105 4389832 4508940 4090342 1693311 1628708 1698693 PC(32:0) 3031594 281620 11224845 13468604 14417090 12752366 13211189 18400700 13707778 9903652 12631365 8517285 12119074 12264582 6696742 10390311 12049474 12344011 15726303 10289420 8711216 12442773 12860189 13132223 11418391 11916009 18273400 13977212 12489519 14104141 9163564 14253742 14188146 13688337 13023140 12600673 19289282 21300628 13257887 14126709 13718412 12050559 PS(36:5) 136610 13238 216766 138579 125912 94311 203248 211269 143532 174072 151060 89149 212696 167359 231922 150142 175059 107632 222550 265376 175356 167554 123261 119382 187123 179705 185363 142366 156407 151997 199133 265756 226278 148703 114267 124004 226645 167469 175636 148590 136930 132734 PS(36:4) 285013 34160 791228 527089 609901 431535 733840 795426 749354 543133 547516 361175 807845 909260 804370 560712 654406 494608 789900 704041 760792 600946 560049 536683 828480 903841 905362 557652 577633 547509 868133 963593 691605 575287 524261 558993 864072 883471 868347 595221 473770 525999 PS(36:3) 621669 55261 1764857 983262 997828 1066953 1479173 2060632 2245301 764210 1036646 538352 1889369 2375821 2206606 888775 929415 1114428 1762041 1401023 2319595 973186 1000301 1235930 1953824 2400160 2279426 1118935 938568 1037224 2684576 2058974 2154607 864060 1313975 847685 1592024 2474352 2039084 951719 1285437 949754 PC(34:2) 25170280 3844015 32375630 13931438 16498889 14891331 30121274 34334760 30887204 14198888 15858055 9533838 33182132 29988542 36717288 15111885 15505343 15602469 30570832 29727044 33584128 15988599 16306873 14895366 31979788 35542228 33791476 15886759 15644213 17143544 31754500 34215544 29561716 15603819 17188382 14286213 29546752 32062844 31518290 16594010 16617038 15707353 [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 0 0 255327 609342 616718 515719 344538 578237 389790 529582 616633 366097 341953 375676 0 554020 561797 675193 582964 237161 212724 518046 590324 552581 251497 272745 601528 582303 699665 616300 280774 607052 476240 650245 685154 695671 674533 775402 361547 661764 602386 718997 PS(36:0) 1467926 64323 6079867 3071411 3761183 4628341 4621908 8888153 8306475 2073160 3005242 1439820 5798868 7015592 6539877 2442718 2400777 4137884 5786224 4183711 8541495 2800993 2848646 3711579 6673585 9624529 9107871 3540946 2537977 3373032 13370510 10803994 12941537 2871401 5730553 2970083 4994557 9887182 7936488 2809727 3774221 2932838 PC(34:1) 56590296 5633645 111540088 64412596 71253128 64784496 103820680 118152064 103401464 61293840 69360432 43891212 112599000 107393048 112709808 63476688 66349644 69092136 112897152 101760448 109091368 67118232 70984304 66893236 110913680 117225904 116437216 70364304 67184208 75228792 100669560 108980136 101891016 67977976 70452560 63619852 111342968 117205072 108483824 69595920 70680096 67246624 PE(38:1) 1461292 0 4172166 2665423 2919619 2883444 3791003 4923588 3629308 2408600 2795525 1756977 4133788 4017522 3851849 2555666 2753218 2868920 4612444 3678426 3849996 2771293 2940313 2680346 3913428 4164014 4507499 2973870 2922084 3200834 3531907 3917335 3562952 3164424 2728910 2697811 4294751 4565624 4111451 2827558 2798907 2768513 PC(36:4) 8690446 1141872 10996568 4574252 4721038 4235396 9466501 7696001 8423260 6946317 5282094 3414982 10205417 8254235 10622703 6043727 5909154 3248528 5686160 5561569 6274070 6264307 4696828 2668724 7661327 6088438 6877697 5129615 7049727 5899361 4716424 7901908 5873163 6354743 4772209 5999833 10969503 8557281 8488591 3690127 4237423 4389488 PE(39:2) 6139631 507708 14407230 3765991 4998157 7333980 8530177 7525340 10806820 8184026 8930683 5130606 3205346 5731884 7991549 5091887 6227693 6053102 12295468 13446426 15547999 8827336 6254350 5049824 10225324 9575893 4476409 9016713 9506573 9867640 13764642 13534763 14285117 8340968 9610364 8503932 5113559 9701393 3075454 5076926 7216104 5801046 [PI(36:0) 45253 0 504995 294230 312828 369136 466497 720389 588609 235306 339268 239285 467118 576027 251087 290889 320241 345287 556858 330275 408224 361905 317466 386406 382001 500655 650474 354517 268119 340100 519272 490440 453634 296811 384214 298509 477633 625407 532070 322971 375682 316702 SM(d40:2) 133947 0 420356 347993 363641 378116 281341 201672 201150 374989 419821 213039 337050 336713 320962 344318 394983 383008 362928 385339 411833 419622 423888 437190 248295 387089 383176 375589 443993 556644 393503 368558 333042 486978 533317 387670 200307 304439 446067 442077 392489 402154 PC(38:6) 2742183 311488 3063435 1602933 1659967 1393744 3037393 2883086 3465392 1718809 1850087 1073899 3514600 2785014 3650309 1826730 1728569 1628843 3382364 3344504 3215588 1810281 1749332 1604336 3130725 3385857 3081142 1736795 1631227 1983199 3555671 3480857 3051893 1764882 1629507 1671822 3317899 3077184 2846447 1680888 1833637 1522742 PC(38:5) 5217753 564584 7417587 5425391 6258495 5001466 6902703 7651812 7412251 5679074 5684282 3589205 7575968 7824543 8258508 5384954 5781530 5775331 7697542 7194971 7227928 6350813 5959091 5659769 7850328 7607549 7518181 5750247 5949805 5981269 7793492 7576903 6773784 6110333 5660476 5110486 7169840 7919227 7019416 5888049 5849041 5004046 PC(38:2) 760289 51162 1812975 1860335 1859659 1883155 1618200 1878086 2011686 1838144 1957290 1298970 1840670 1725747 1762312 1898463 1939764 1914603 2002300 2017756 1833327 2368031 1952468 1973081 1589142 1892582 1875268 2006460 1976887 2110207 1801009 1870427 1837162 1951904 1990514 1870920 1712669 1831222 1857644 1926882 2192406 1803979 SM(d42:3) 185951 0 537211 542853 599574 567565 521997 628344 543509 553220 586824 422720 479761 499064 545121 604004 528604 597906 696168 528164 502680 564238 613157 519290 520427 605109 615290 639178 673105 760734 623174 575043 688546 579292 710157 537271 518458 757758 525017 565277 624026 687739 SM(d18:1/24:1(15Z)) 254360 0 1830705 2397108 2307951 2178567 1723713 2081690 1905304 2085356 2372834 1457335 1833851 1794997 1299483 2094149 1985408 2231393 1899496 1764817 1669434 2328087 2377934 2160912 1606395 2108609 1929856 2728238 2292038 2475919 1918573 1985592 1849573 2364190 2623379 2268402 1975756 2258802 1908050 2539522 2342487 2122761 PC(40:7) 639758 53942 725562 424708 439815 393619 683498 646712 574373 522491 530818 374054 668625 712142 808085 534539 526671 398089 744178 717477 577826 522672 475934 358485 694088 726246 637918 280592 345689 382072 701423 772963 789443 542558 424546 594079 882700 673429 593881 522438 410121 423017 PC(40:6) 802153 64863 1754931 1209316 1215007 1202359 1732371 1681630 1653216 1399432 1494097 812968 1629286 1655966 1862813 1293250 1426466 1260273 1729754 1659460 1855277 1577757 1362869 1201435 1876580 2097634 1803389 1257963 1454738 1586152 2012981 2090163 1794338 1234913 1453096 1150079 1778407 1872987 1831396 1434706 1394748 1269844 Diethanolamine 168138 127782 145112 213793 218484 202835 166696 136529 168789 152632 240818 190802 199667 3147054 130313 124216 212967 216286 3861939 151397 194332 140193 267285 170168 164247 156250 132468 134561 193166 123977 169039 311111 176579 234134 220522 157401 123110 142942 167258 148299 196936 204295 Phosphodimethylethanolamine 392653 341739 279060 16835 15671 0 777191 621140 573326 68729 58404 11523 704985 523872 400756 64548 49385 55729 737043 363052 577964 94677 59810 28620 605715 839506 709741 16851 38631 52173 373453 402678 287654 43023 87205 15285 670182 648090 614180 74440 68550 64359 Creatine 493544 363415 604513 2377475 2347260 1951581 703275 724028 597219 2526683 2494039 840146 709883 471135 398183 1783225 2143631 2020982 779122 512286 447856 2359266 1980504 2035563 573298 579265 721447 1234183 2063214 2623098 533462 534948 494549 2518303 2252184 1947105 787126 674865 593036 2516361 2171734 2164963 4-Aminobutanal 221774 207826 254817 126061 143180 226783 239018 378215 359457 157829 158341 105922 325002 293288 277805 169090 170588 245484 289290 183501 361701 138042 192505 186142 269901 498415 330455 179903 134434 212600 378622 280466 244664 115666 359426 161339 283451 343243 250245 119784 219291 165786 4-Aminobutanoate 1598000 1718488 2243048 386643 304726 268382 13646627 14131135 12241104 3600877 3330305 763482 10273813 8240683 6716456 1222364 1780292 1622099 13872639 9532907 10824635 3703808 3448139 3113768 7672892 8263538 9864754 1480432 1949480 3745397 3396758 3197733 3363507 2655583 3248255 2896674 10685685 10281618 9181757 3432632 3524122 3630966 PS(52:0) 0 0 132369 168894 188415 230345 173326 590937 295073 111083 259681 128214 158432 248384 0 121764 156677 312430 291311 80541 89550 190372 207517 333295 175103 248769 451047 257835 161557 283069 164301 333864 398312 207155 406297 173805 333828 616359 240272 216044 291395 199128 L-Glutamine 45719600 36271980 39907928 23239542 28058292 26212414 40802940 43278960 36419816 29595408 23057522 13145274 59041152 44081880 32195500 46267224 34561052 36869504 50349140 35942220 46110992 23923438 20696804 19446718 51499104 57573816 56179464 22864114 21181944 33494472 56071600 51418252 37131136 20469592 27255386 28790112 47876800 41684420 39410604 20906628 23142406 23238864 D-Ribose 21526 23256 0 12668 0 0 92033 108661 81192 0 18469 0 68155 60140 26597 15704 0 17059 89481 0 76515 16901 0 0 72870 38230 72494 11819 0 20264 38934 25117 0 0 11955 0 49060 61790 64521 0 14605 21729 Piperidine 105558 68974 120650 97900 56296 85638 126607 72806 138982 59351 86560 0 174767 94032 100787 149678 130646 167855 72128 33161 182706 81927 73389 50237 198914 394054 172159 102830 49708 130028 162939 127288 105789 41546 200363 92780 57800 145129 75712 47019 94672 81539 L-Valine 736121 631379 486582 693016 714326 498905 920788 1031787 835982 684185 632335 280434 961400 778835 553239 627856 486981 517051 762803 361555 765209 574609 464298 363679 1134893 2708422 1272579 365394 504188 653096 708679 549836 425801 612764 1101972 541082 694867 780518 753862 416811 557321 387719 L-Methionine 1086235 970102 848022 1067169 653543 856318 235786 245373 230470 290013 323319 101254 1065587 891073 727267 1530225 1229330 1632371 216543 170060 466703 296059 279469 262850 2929464 7024198 3404188 407182 223091 385633 1543966 1212274 1053565 498425 1741193 481404 191956 443757 319887 315698 424382 284182 L-Ornithine 161309 336858 346796 331254 497710 303984 450045 629913 428992 763194 628043 238792 437557 615470 627284 559642 683312 491532 323056 526722 375729 618954 798736 482898 382131 602613 674052 321749 682383 852575 501491 736562 472505 356220 519633 364620 457971 645248 620787 702328 826906 700666 Choline 207586 50452 363720 155451 174949 131898 161294 187948 178032 129125 114457 48180 265801 131777 110379 115541 131254 145426 204452 111229 117039 128770 114470 92345 201132 187203 224062 88210 104066 124223 553567 472596 373812 118154 131992 133164 235561 186096 170260 123372 139605 126492 Choline phosphate 31619320 24164554 51965768 8606688 7833370 6522955 78816240 71772608 74600784 16207209 11025354 3613648 91215880 60629468 56112496 12056911 10726703 9396535 96245424 68489992 64405852 14301369 10410229 8985929 80442480 82537248 89176680 5917420 8448884 13447942 158319696 187759664 121515184 10394092 12935421 7708103 76102496 64156780 72087496 15092929 12306234 10731452 Hypoxanthine 3697800 3107509 1712579 2631566 3180938 3845004 3732059 3612213 3726128 3247419 2872542 1775535 4594696 4875636 3125504 6910442 3872991 6645888 3473242 3018488 6732227 2738418 2612407 2500882 5129594 9319113 4889260 4576811 2863192 5208767 3709619 4349189 2375532 1797380 8463741 3847205 2001015 5261991 4179880 1873277 4782382 2764092 Adenine 272208 365244 553498 0 191787 107261 284225 418175 480839 86410 120117 66613 301501 231525 442781 96187 87627 104112 294409 370730 437412 73250 136932 92827 224260 305325 416278 43150 92345 137357 272537 442494 706590 152406 85357 105608 301325 331810 584292 83815 109880 118192 Guanine 562356 420913 448741 107906 58143 53488 1151645 1188409 1014158 132743 178068 21349 657471 496683 400834 119875 141971 123274 772996 332359 905488 261704 227628 199213 809393 2023919 1135957 71533 99651 145168 566312 363893 437555 245502 1049482 137774 501790 736284 775250 181629 243962 169249 5,6-Dihydrothymine 19486 46545 33769 55611 45148 70837 20363 62282 93270 63511 54031 43577 31631 70738 65002 68419 50011 67692 27451 70233 69972 59441 52536 60295 33487 64621 78590 37585 58160 63466 31200 25637 27916 46141 70744 117695 33575 91217 124694 62057 73773 70698 L-Proline 1897231 1530060 1188273 1638838 1396563 1618435 3536084 3954425 3359872 2164889 1851144 631426 4090170 3559792 2186963 3205852 2424777 2659887 3971860 1732336 4196411 2769547 1880728 1560785 4181082 5599028 3995634 1980920 1386545 2929739 1879397 2164612 1286750 1676673 3642454 1467109 2773383 3320249 3240189 1905496 2734733 1915863 5-Aminolevulinate 1281846 853598 1090330 1260311 1654025 1176213 1668055 2170630 1725955 1817842 1636075 521211 2130978 1723579 1171024 2043587 1832341 1983861 3051042 1792006 2003761 1405788 1500517 1069126 2083650 2101739 2202469 1517253 1177304 2365277 1233908 2009414 1057267 1260264 2016532 1724549 2326307 2150931 1889728 1407230 1741261 1393984 FA (6:1) 2096043 1645350 1204548 1106658 1464449 1670456 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 382441 342213 397406 0 0 0 0 0 0 0 0 0 D-Glucono-1,5-lactone 16931 12232 39743 0 16725 21393 88661 89832 76866 36551 0 0 69721 55898 52048 30094 45408 27576 137681 86982 64456 48351 38890 14945 67372 86055 83382 0 0 16627 34974 51462 35138 0 62021 9479 71651 55873 61931 28786 31095 49000 L-Pipecolate 202827 216364 230301 102415 59602 63788 2641267 3719831 2672589 611632 782860 157867 1938075 1754510 1108938 451575 384306 439799 1701707 746726 2004540 905607 776640 630920 1963842 3240426 2095791 392263 319061 862366 281818 287193 208357 306578 771460 212046 1369914 2127664 1741352 713551 895955 637344 O-Acetyl-L-homoserine 66710 55179 165957 69667 81231 79106 233227 411087 352361 85170 94931 0 287534 206317 190016 97717 99665 103419 253734 108665 233668 106198 98724 88184 288418 529322 436643 65648 42461 112578 320708 155132 157062 85945 166061 50779 165666 259040 202629 78266 111929 95922 FA hydroxy(6:0) 194050 202014 181770 139400 162723 166476 175852 143971 146140 154036 137938 124958 186735 177062 176663 175046 207221 169007 159460 169058 156788 217741 179166 153716 196965 193969 178681 151565 180492 153575 166627 170053 153636 161163 194793 177483 161917 140514 174863 166364 176879 187153 L-Citrulline 32266 28387 41144 64496 84657 78268 36988 48532 16194 64661 63732 28557 29707 46345 30959 56575 70326 55298 45217 33783 38989 160273 64571 50589 49601 68203 47614 50615 62598 61644 195896 40501 33759 63343 72220 57453 38407 52700 54437 58797 72334 78484 L-Leucine 1035182 932449 970865 795468 616026 1160171 721530 1263915 1140190 2447121 726762 1482626 1326611 1069113 1000933 1322777 1805100 1474346 884460 1378972 1052560 708478 747141 639992 2774810 3833176 2334696 1804824 492954 2190778 1140669 986098 931746 473241 2288423 1161411 602008 1146283 943255 693866 901056 948364 N-hydroxyisoleucine 0 8310 9187 13024 7507 16927 145536 117300 181074 67975 108125 69514 200908 2479611 78712 50252 123716 93053 2672730 30030 193352 87240 226359 158122 126599 110196 114152 176138 91658 41520 21030 159785 76707 245031 140195 46398 58108 67023 164261 75088 212102 95076 L-Lysine 1067147 2067815 2473956 584720 1064038 530405 4693927 6074032 4356801 3427586 2864167 703964 5235059 4605492 4535809 2673186 3855151 2443712 2828992 3165345 2456485 2473569 3136230 2074756 4123838 5716623 6512385 1511720 2919611 4023304 2222252 3170114 1966539 1105543 1590536 1045433 4895188 5855395 5143331 3235880 3761204 3161483 L-Arginine 2483696 3618842 3190772 1206322 1979800 1310257 4217011 5217196 4372919 3223462 2611586 1099800 4935896 5337747 5241681 3605760 3543576 2678877 3271507 3990713 3637297 2276169 3071262 2175319 4549583 5549308 6174904 2020925 2839838 3709819 3226935 4479881 2776663 1319666 2394882 1881627 4545447 5500820 5671891 2766653 3241165 2941609 3-deoxy-D-galactose 151716 107978 213282 339697 399373 285995 203733 110452 86360 200278 180716 308545 222117 202359 165027 218989 288505 208848 329311 167020 145427 187135 244855 276022 142182 0 150289 175095 297487 209832 129548 270215 86991 241418 75377 217247 146557 69510 95489 278336 218939 316061 Mannitol 334468 255680 339098 907444 799938 591198 397215 274109 273344 915528 656438 380343 742534 237926 291209 620791 773661 739991 598892 295122 246627 1029170 676370 933695 293020 115870 301048 383295 837169 825173 368468 2533160 327429 790773 816059 1093333 341107 287081 373435 840591 955240 1099304 Nicotinate 126415 122726 17122 0 0 4095 227989 281754 270805 204504 102995 73271 203409 230225 164931 199756 143814 147777 417581 181914 228720 145927 117821 103262 224966 229128 356683 113166 77705 108370 178543 158765 183161 113246 115837 147758 292936 210696 190879 101598 136853 169731 Nicotinamide 313849 275987 804570 224846 245809 580217 381672 716251 1032042 616331 277697 258558 487630 691478 606804 485087 869715 1512736 618599 494724 936862 462225 646046 831600 620131 786713 983580 354507 575827 814492 120388 383126 1049728 235476 428060 709741 478699 1174799 1125479 378235 430281 1732041 2,3-Dimethylmaleate 89340 80412 22749 17049 33366 77810 42463 29886 44873 75023 28363 25691 90409 150147 56832 187882 118389 63200 74271 88200 93230 51205 59172 21255 87486 78444 53947 34850 31152 35868 37820 131144 74779 16567 117133 95163 52581 102229 95088 13818 75647 52431 3-(Pyrazol-1-yl)-L-alanine 1185253 1082654 1323587 343120 459327 416964 1424944 1616481 1493021 693544 500810 229179 1734786 1172368 1170518 645644 647021 781876 1284844 970085 1186043 575359 582351 499246 1590388 1825562 1996994 328671 460113 710411 644923 689318 558934 438407 530342 464466 1604525 1374215 1299727 532986 558631 612977 L-beta-aspartyl-L-alanine 0 36612 38856 0 0 0 31846 56071 57559 0 0 0 0 20434 0 0 0 0 21998 0 20891 43937 31410 0 0 0 0 42747 18356 22352 0 0 0 0 0 0 37693 51079 44816 20911 48514 15451 Ala-Asn 64417 70168 65389 39490 38778 32921 0 0 10647 0 0 0 41358 15731 26966 53633 44439 59607 0 0 0 12738 0 0 70554 134743 82541 0 0 0 61039 54377 36027 27071 49537 0 0 13996 0 0 12344 0 α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 29713 35806 37767 0 11341 28953 21049 26770 35781 0 0 0 41726 34977 24444 8540 0 24451 34851 13542 37846 0 0 0 35545 162589 36461 0 0 10334 47765 27534 16690 9694 76300 0 33372 35351 34690 12731 17135 11017 N5-acetyl-N5-hydroxy-L-ornithine 0 26234 37196 25373 0 21862 24255 46211 42961 0 0 0 21127 22268 0 37448 0 21038 0 0 18095 14525 0 0 56426 133832 61185 14381 0 27011 14931 0 0 0 49174 0 0 42630 0 0 0 0 Sedoheptulose 0 0 52813 114310 113196 72006 29059 55713 40942 109535 80793 32620 60957 34483 0 53498 69567 80831 102263 28110 0 99127 89459 70929 29405 0 77516 52930 73299 102305 79074 73568 76090 79376 91468 61910 69846 63071 48608 100034 94616 77910 4-Trimethylammoniobutanoate 39946 21896 24000 130221 123707 104666 35516 33316 31774 113950 131913 64095 38580 26381 14599 90227 105469 110555 45611 21660 31711 124536 106469 85751 38454 38228 34940 65547 108580 157160 33403 33879 18115 140260 136271 99558 38898 39930 35723 133755 126935 118884 L-Carnitine 61294 51032 81284 156560 148067 115410 76614 90651 74883 144704 137604 59873 78037 58624 38068 112545 146588 127557 117495 76767 81204 189466 126859 112673 81710 86510 86000 80281 114798 172229 94794 77043 59836 145202 142807 130882 80754 82751 84969 163531 147806 184949 MOPS 2229262 1546977 5204453 970058 1634701 3131580 7878352 7218658 9014621 1775040 1786447 1142549 16896552 5183301 4740641 1711783 1926075 2770348 3047322 3904524 9185976 2402283 2152706 1519079 9368804 12504538 7317085 1813143 1660753 1639959 6503069 3638674 5637281 1368348 3049564 1406836 1411249 3021451 1115585 1541486 1647541 2371209 Pyridoxine 0 155075 0 0 0 112103 229018 157279 189749 305572 189058 119983 321330 282045 178387 533279 367868 344361 284570 284764 337562 209500 179357 145560 334012 331229 245404 221941 205061 362905 214150 370671 244109 317281 572546 620769 202756 251869 279341 158134 277913 243151 Ala-Pro 2878684 2388605 3726652 1554015 1419505 1128133 4551676 5983995 5004069 2815604 3364265 924839 3423377 2556376 1953211 1838836 1837096 2282988 3093792 1464099 2074372 3144255 2684054 2490015 3561201 3175353 4150564 1808990 2376371 3846410 1881978 1664361 1689520 1443600 2012700 1378384 4167203 4311325 3593401 3331041 3971804 3263313 Proclavaminic acid 350565 317097 440568 371063 324656 300885 103938 93866 97863 47073 56033 0 263185 198794 172428 510885 474780 463691 63203 49881 71221 54322 45291 41609 615465 682434 616435 44347 53069 70040 358169 370415 324562 191039 239878 144227 93858 83078 92233 74922 61850 60340 Glycyl-leucine 104801 97266 113848 105356 84591 71193 46317 41630 46544 23622 25118 11773 134642 116364 103066 155673 157743 182102 41980 25150 42421 31369 36861 37079 378512 588105 355717 38507 18326 39784 116433 144116 116684 57982 101309 26462 48952 55821 59520 26131 24146 51786 D-Mycinose 0 210638 0 0 0 23224 27073 184689 12092 0 34689 29672 27162 14328 0 16737 33454 0 63648 0 23904 60960 37985 172738 70250 64308 26402 0 18780 0 34701 0 21458 0 34977 49897 0 0 45308 47689 57182 65877 Gly-Arg 108507 122239 155101 69237 68746 56523 66222 67934 61591 56571 34920 18144 89616 56593 73408 97930 100984 82645 43651 46292 40411 45093 42022 38734 100874 68770 108785 27788 39489 50249 72823 76994 90052 47641 31842 36421 59359 53921 63681 41603 44103 43661 Methacholine 15611 20440 19165 96458 99242 64284 16334 33740 22202 91346 91556 57611 18156 17401 18851 76024 81382 79840 51113 20519 28930 84358 72534 73195 31785 22224 15118 62635 85237 99974 27589 17626 17358 94679 115524 101011 37098 17517 16676 82353 92021 109087 Ne,Ne dimethyllysine 112485 127718 156976 40670 66707 45315 115811 149336 97413 49389 37870 9892 122628 106563 105516 37333 46472 39892 139646 108145 107875 36223 39171 34086 119704 141564 172318 22070 36206 60882 215986 270828 193019 48825 55419 42542 112186 126048 118179 44824 49040 39458 HEPES 208545904 198808640 184578848 117133640 118796168 195464400 217002560 315816096 300450176 111548664 132859168 59597636 246836160 279015744 197177776 202899008 133914120 214255344 233765184 133244736 324570656 123986472 120700600 132152376 282820416 487491136 327632416 169051728 96895448 180029872 363219392 240834816 207131616 75584936 363698688 131599704 187717952 303010464 260135072 86100760 192368224 133030160 Arg-OEt 292613 296248 402885 273787 304071 233424 467180 514887 409382 141872 127801 43440 552405 371575 380374 319033 380021 302688 450217 355299 365136 129881 118361 99686 549330 586431 745898 69117 114196 140077 2371264 2481856 1833242 162045 163377 146346 458194 433414 413445 158477 142678 144816 sn-glycero-3-Phosphocholine 1910631 1528751 1807053 1294069 1454722 1054499 3188591 2852353 2700997 1608529 1273499 513532 2955058 1884588 2100425 1634052 2051217 1824483 3637726 2360144 2653698 1585955 1488055 1534439 1983760 2211952 2465254 1394105 1417230 1854799 855072 675087 689720 1327639 1316920 1010568 3096837 2951743 2575911 1625538 1622897 1703791 L-Phenylalanine 704988 660976 745415 511085 380859 558464 655363 909044 945472 494359 428222 132009 860885 927177 713508 910627 822934 1100796 587870 333993 816621 597171 417682 443855 1816422 4146910 2226742 470082 360470 754322 828256 625474 694578 328755 1487835 422239 420667 659362 648211 406063 670207 544777 L-Tyrosine 621445 470168 525129 520091 350954 385280 554866 608650 506323 242959 228843 73251 939974 619743 467519 836823 675834 678570 566887 262135 542909 357993 244647 189856 1567916 3778876 1506605 243986 185151 329904 786993 630069 570962 341995 1125434 229150 469341 551554 408376 260949 305796 229617 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde 164085 124611 147109 0 0 0 116010 78795 86937 0 0 0 164431 70448 237130 16322 18328 0 72302 130435 183992 15092 17639 12875 110076 116809 91175 0 0 0 158206 100845 77563 15328 14237 0 75427 80797 100762 15380 0 0 Temurin 77758 64957 228747 0 35054 0 170733 235481 223529 183462 136502 52312 130206 75508 56968 24048 27080 31904 108057 80725 92367 65229 146328 73419 56261 77484 116452 0 60267 148630 29220 0 44286 81632 0 0 167517 194241 206511 71112 16791 83589 Dihydrobiopterin 1541857 1471570 2731858 197617 796341 1119434 3026543 6078309 4944694 1646510 1979397 901816 3597578 3559633 2654375 2403297 1530728 3144583 3474580 1894719 4729690 1343162 1333673 1989117 4423427 10138026 5467790 1779541 1369416 3019651 5385193 3264065 3172435 640002 2178475 775211 2699622 5174912 4492990 1235802 1378303 1501817 Aspartyl-L-proline 3530608 3312915 5705913 821767 925810 802952 11711956 13222815 12981773 5902454 4716452 1646951 12492113 9718975 8486508 4088540 4160617 4556589 8364032 6203553 8741965 5543949 4235445 4094789 9219225 12126152 13739749 2825672 4175864 5432575 1696894 1450087 1582467 1905082 2162235 1599960 12042680 13527929 12456076 5460973 5468680 5076770 (6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 424391 426970 595785 188328 153781 126877 727209 850039 624618 503108 488017 154788 467810 351298 254927 235553 232751 238856 417935 213426 255181 454349 297308 364801 272724 445656 464164 308878 363714 588108 88710 86411 70650 130384 287467 119984 786852 580799 492506 482180 525820 409327 Furfural diethyl acetal 99735 145673 103637 270347 233640 324819 65984 98275 227496 141188 204806 161212 177296 90584 175207 54286 189462 179845 202856 113123 207160 200903 217129 174024 155846 146420 191499 218306 201811 215711 192641 91083 142403 142732 335623 207396 0 229866 230248 177377 257040 126355 Hercynine 20625 24549 25209 109507 109143 90843 28879 57531 49893 69208 68527 35191 22340 22024 25322 87444 114671 107283 94229 0 33738 110463 80779 102685 47480 37899 52993 66355 103470 115240 25891 29915 27465 61354 115086 111091 42393 47278 25944 122867 121590 104291 Ergothioneine 99574 62150 100089 12332 67193 17429 117509 55377 59583 72212 22450 9652 138802 76044 75426 77921 42842 13777 78745 110981 157842 98691 55700 44876 128728 107781 71450 35320 14581 18687 256822 201637 159137 65902 44265 16058 100526 63113 118982 29742 18305 65409 Asn-Pro 1275742 1187292 1188922 723600 524540 530741 1102723 933484 939050 514094 425709 119008 1094270 665092 643296 775859 789615 649040 589214 306382 467244 468530 390205 359980 1395525 2026182 1450653 303456 353379 502798 1074567 926933 882446 440963 885822 399561 884990 799613 731544 469815 545575 468464 Asp-Gln 61873 52216 39397 11167 15688 22983 26724 37569 81501 0 10583 0 25379 55443 43367 12705 12853 21064 21234 11628 76761 0 0 13359 64004 163407 65806 0 10145 0 97149 33108 47069 8879 34127 0 21443 41314 61661 11489 12986 11366 gamma-Glutamyl-gamma-aminobutyraldehyde 1171091 978644 1397362 505501 424846 405576 3242363 4014796 3432090 1160372 1676275 403932 2906932 2199933 1816258 1039534 1008434 1206264 2156507 1007988 1783101 1376013 1078609 1042612 2654894 3397047 3355840 905614 950329 1617463 721278 631872 546560 582674 895701 419852 2688419 3160325 2502161 1422629 1513095 1262363 gamma-Glutamyl-gamma-aminobutyrate 79538 82554 65084 47674 39829 16933 134375 215797 167472 156858 78895 31071 195074 121390 99177 104817 90951 70630 162109 89572 88368 108163 80033 60706 140613 117605 186741 54682 58998 88069 115421 96325 84117 53521 85558 32096 263604 209498 132538 85956 101510 78571 Glu-Thr 4021046 2490020 1641368 487870 493905 392952 2725868 2857517 2475753 893691 811633 287813 2925832 2164518 4151471 863197 811691 795554 2724001 1660305 3911193 1087551 761644 614897 2638796 3544999 3214342 550496 650987 874886 2109727 1545480 1180601 728100 1028737 480399 2714317 2671970 2384240 953439 910832 747687 Ala-Asn-Gly 329615 302734 201057 175441 110808 104949 18717 0 0 0 0 0 204886 119542 105795 240229 181242 148787 26608 0 22972 0 0 11120 407198 708587 377651 14396 11894 13189 385848 242552 177508 82322 180402 35590 26328 36276 29425 20553 22626 17337 9-Oxononanoic acid 113715 107361 0 171711 140790 226967 0 0 103761 97058 125516 99849 0 0 71328 51714 125365 59524 111122 61520 205548 87556 155071 150635 76889 99936 175944 62791 69451 168478 69867 0 82330 178123 154090 160036 0 0 90124 65885 167153 0 Azelaic acid 0 0 0 0 0 15833 33981 49724 48318 24381 35369 0 22112 19244 0 20405 0 16884 29085 0 22366 24889 20203 20120 20961 56843 41935 19453 0 28869 22342 0 0 0 41733 0 33638 45431 29027 29684 20629 29330 Ala-Ala-Ser 84232 64685 78181 90676 75551 55025 36401 41095 39004 0 22773 0 56991 48147 44241 98271 84068 90551 0 0 11015 15093 0 19993 118198 289713 157962 16012 0 18387 81548 58956 51043 39738 64325 0 27751 41334 18472 21459 19318 0 O-Acetylcarnitine 58632 40342 50486 198923 211840 149341 52681 65097 75250 337661 208928 172939 58212 45957 78472 195249 189826 201320 66973 262519 53758 178165 175711 162702 181029 163531 55337 179114 151096 257096 73508 0 29761 162903 233830 161332 66487 50358 50160 170191 201786 203077 Muramic acid 58833 42099 111973 118068 108452 85933 118881 132355 158800 117282 83641 47415 135210 110207 78254 139266 104421 88071 147978 101519 100660 135608 107531 83390 127228 154112 147382 75770 85233 143426 143575 152176 78436 113759 139552 91461 134041 162565 113691 120060 136891 103195 Ile-Ser 101387 148399 180375 0 0 0 121146 199637 182842 93813 97988 36748 108564 99858 91596 128462 124096 168242 81351 50004 73692 84331 79527 88974 132203 449215 290258 92352 97514 132801 82500 68965 74455 56983 201856 61440 119488 121915 127593 102789 149164 105173 gamma-L-Glutamylputrescine 61896 54124 84468 66054 56541 55964 0 0 0 0 0 0 43674 46728 36535 62006 82608 90301 0 0 0 0 0 0 125307 145181 119761 0 0 0 55049 56444 56428 24475 18181 0 0 0 0 0 0 0 beta-Alanyl-L-arginine 270282 135846 353002 238254 232641 99352 21742 11226 8540 13557 13576 8799 201979 113251 154993 319897 315932 259528 12267 24901 0 9547 0 0 473906 212899 416624 19186 30785 13252 149266 225093 205460 74396 13491 50005 32768 29247 35911 31077 17020 27232 Ser-Arg 217763 129142 299390 161307 166522 82029 23454 0 10514 20243 0 0 167948 79972 135651 273515 288942 248079 14145 14942 0 0 0 0 324730 138433 255785 9143 19516 10626 128192 178951 163888 61379 18767 37216 28378 12973 31457 18178 23549 12660 butyrylcholine 0 0 0 3841446 2575786 44867612 8600108 29899092 13325199 275477056 7510135 291695136 6345698 2390516 78506416 3382151 163531024 4573642 34011604 315708960 548501 2130105 21008086 34984 281908704 295241408 3021361 280750816 5620975 366245088 1485760 787196 1392386 7015331 152129072 97444296 0 3529787 7060896 7920820 7446030 28279666 N6,N6,N6-Trimethyl-L-lysine 2014604 1971920 2466093 1167697 1239473 878066 2641863 2730256 2232058 1442749 1174413 387710 2788017 1847193 1912808 1126059 1151867 1272338 2959079 2156062 2359875 1298563 1134115 1020282 2344176 2597614 2873881 610261 1167959 1396866 3396445 3330134 2590593 1279107 1438863 1274527 2871236 2418207 2425630 1398184 1434837 1357853 metabolite_name Retention time Mass KEGG ID LM ID InchiKEY HMDB ID 5-Hydroxyconiferaldehyde 4.641705994 194.0579055 C12204 IEHPLRVWOHZKCS-NSCUHMNNSA-N Adenosine 8.538566377 267.0965929 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N HMDB00050 Nicotine 4.861783336 162.1156042 C00745 SNICXCGAKADSCV-JTQLQIEISA-N HMDB01934 dAMP 12.38521706 331.0680016 C00360 KHWCHTKSEGGWEX-RRKCRQDMSA-N HMDB00905 AMP 13.519194 347.0628001 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N HMDB00045 formycin A 12.98983525 269.1121863 SIVHFRZJFCASNV-JPWDWCJRSA-N dihydrothymidine 15.16393745 244.1058461 FEYHMSUYKIMUAL-UHFFFAOYSA-N GammaGlutamylglutamicacid 17.03280688 276.0960097 C05282 OWQDWQKWSLFFFR-WDSKDSINSA-N HMDB11737 Ala-Gly-Pro 12.65456633 243.1217104 Dethiobiotin 8.649671051 214.1315584 C01909 AUTOLBMXDDTRRT-UHFFFAOYSA-N HMDB03581 9-mercaptodethiobiotin 8.4754089 246.1036276 ZARFDBYKHCOTRH-SFYZADRCSA-N N2-Succinyl-L-arginine 12.83173059 274.1276194 C03296 UMOXFSXIFQOWTD-LURJTMIESA-N Ile-Asn 9.503662618 245.1374474 HZYHBDVRCBDJJV-UHFFFAOYSA-N Lys-Asn 16.22156488 260.1487656 Gly-Gly-Arg 17.30700419 288.1545367 Lys-Thr 15.45527469 247.1531917 Thr-Arg 15.3258051 275.1592348 L-Tryptophan 11.27499482 204.0899306 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N HMDB00929 L-alanyl-L-α-thiophenylglycine 10.10611038 276.0544968 Nicotinamide D-ribonucleotide 14.69012893 334.056614 C00455 DAYLJWODMCOQEW-TURQNECASA-N HMDB00229 5'-Methylthioadenosine 6.526277372 297.0894068 C00170 WUUGFSXJNOTRMR-IOSLPCCCSA-N HMDB01173 Heliamine 12.30345401 193.1103778 C09460 CEIXWJHURKEBMQ-UHFFFAOYSA-N Pro-His 12.23017315 252.1220031 L-isoleucyl-L-proline 7.527251987 228.1473804 BBIXOODYWPFNDT-UHFFFAOYSA-N HMDB11174 Lys-Pro 15.22232424 243.1582012 AIXUQKMMBQJZCU-IUCAKERBSA-N Epsilon-(gamma-Glutamyl)-lysine 14.65683958 275.1481036 JPKNLFVGUZRHOB-YUMQZZPRSA-N HMDB03869 Pro-Arg 15.33633898 271.1643969 HMNSRTLZAJHSIK-YUMQZZPRSA-N Glu-Arg 16.57656415 303.1542779 Lys-Val 13.43177985 245.1736012 YQAIUOWPSUOINN-UHFFFAOYSA-N Val-Arg 13.19323367 273.1802566 Thiamin 21.09106288 264.104255 C00378 JZRWCGZRTZMZEH-UHFFFAOYSA-N HMDB00235 Thiamin diphosphate 14.58609627 424.0365922 C00068 AYEKOFBPNLCAJY-UHFFFAOYSA-O HMDB01372 Ala-Asp-Pro 14.92032041 301.1273048 Slaframine 8.959222675 240.1471442 C06185 UQNSGOYQGBXKSN-MCIGGMRASA-N His-Leu 7.775955474 268.1534534 C05010 MMFKFJORZBJVNF-UHFFFAOYSA-N Thr-Ala-Pro 15.20713846 287.1483362 psicoselysine 21.00533624 308.1581515 BFSYFTQDGRDJNV-ONJAQYSBSA-O Ile-Arg 11.90249382 287.195789 Darlingine 13.28605929 241.1077084 C10857 WBTZDCUVPGAROE-UHFFFAOYSA-N 6,7-Dimethyl-8-(1-D-ribityl)lumazine 13.1205604 326.1223806 C04332 SXDXRJZUAJBNFL-XKSSXDPKSA-N HMDB03826 Glu-Ala-Pro 14.6843584 315.1428779 Glu-Ala-Val 10.9282767 317.1585173 Succinyladenosine 14.66651796 383.1076928 VKGZCEJTCKHMRL-VWJPMABRSA-N HMDB00912 Hypaphorine 8.234585773 246.136697 C09213 AOHCBEAZXHZMOR-ZDUSSCGKSA-N alpha-Ribazole 10.03718838 278.1264692 C05775 HLRUKOJSWOKCPP-SYQHCUMBSA-N HMDB11112 S-Inosyl-L-homocysteine 14.79917417 385.1055851 C03431 VNPWVMVYUSNFAW-WFMPWKQPSA-N S-Adenosyl-L-homocysteine 12.95454748 384.1213515 C00021 ZJUKTBDSGOFHSH-WFMPWKQPSA-N HMDB00939 Ala-Asp-Gly-Pro 15.69631849 358.1488864 Ala-Ala-Ala-Pro 9.89810779 328.1742255 N-Acetyllactosamine 13.23065025 383.1427199 C00611 KFEUJDWYNGMDBV-LODBTCKLSA-N HMDB01542 CDP-choline 15.00540685 488.1078119 C00307 RZZPDXZPRHQOCG-OJAKKHQRSA-N HMDB01413 Trp-Asn 9.808274527 318.1323472 S-Adenosyl-L-methionine 16.20315442 398.1370119 C00019 MEFKEPWMEQBLKI-AIRLBKTGSA-N HMDB01185 Glu-Glu-Pro 17.19005342 373.1482578 L-Tyrosyl-L-arginine 13.68732831 337.1750676 C02993 JXNRXNCCROJZFB-RYUDHWBXSA-N HMDB05768 Ala-Val-Gly-Pro 9.34907489 342.189953 Ala-Thr-Ala-Gln 15.50160814 389.1907333 Ala-Asp-Gly-Arg 15.24474527 417.1973929 Ala-Lys-Ala-Ala 13.55210992 359.2163727 Febrifugine 8.587228605 301.1424774 C10677 FWVHWDSCPKXMDB-LSDHHAIUSA-N Glu-Glu-His 13.23793237 413.1547793 dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose 14.6609712 529.0868375 C12318 IVWGOICUSBJICO-OJEZURLMSA-N Ala-Leu-Asn-Ser 14.40172297 403.2063114 Ala-Asp-Ser-Arg 11.9407558 447.2084194 Lys-Trp 8.656779766 349.210892 DZHDVYLBNKMLMB-ZFWWWQNUSA-N Asp-Val-Pro-Ser 9.694867346 416.1905063 Asn-Lys-Gly-Pro 15.06014436 414.2224648 Ile-Lys-Pro 20.7152799 356.2420358 14-Methyl-8Z-hexadecen-1-ol 7.605810388 271.2875502 LMFA05000203 QRFJDYPDABYWFH-ALCCZGGFSA-N Prekinamycin 16.04870759 318.0646903 C12393 ZVCNREZZUJIBAG-UHFFFAOYSA-N Ala-Leu-Asn-Pro 9.002378855 413.2271336 Ala-Lys-Asp-Pro 14.60924437 214.6111131 [SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol 7.56011621 301.298135 LMSP01080055 OTKJDMGTUTTYMP-ROUUACIJSA-N Ala-Phe-Thr-Ser 8.541216625 424.1947445 Ala-Glu-Glu-His 15.80661763 484.1921658 Glu-Glu-Pro-Thr 16.21261592 474.1958379 Ala-Leu-Met-Val 8.319188848 432.2407796 Ala-Lys-Lys-Asp 13.53465522 460.2640805 FA methyl(18:0) 5.525449994 315.313496 LMFA01020015 BEOUGZFCUMNGOU-UHFFFAOYSA-N HMDB04085 Thr-Trp-Pro 8.26452369 402.1896621 Asn-Leu-Pro-Pro 10.25012201 439.2430298 NAD+ 13.62606163 331.5543906 C00003 BAWFJGJZGIEFAR-NNYOXOHSSA-O HMDB00902 Asp-Ile-Ile-Met 7.380458272 490.2461482 Ala-Phe-Gln-Gln 7.548541667 492.2340157 Glu-Ile-Gln-Lys 11.59774766 516.2906083 Arg-Leu-Lys-Asp 11.36036205 530.3177619 Ala-Leu-Met-Tyr 7.460177289 496.2357736 3Z,6Z,9Z,12Z,15Z-Tricosapentaene 7.571835089 331.3234693 LMFA11000180 WZOLXZVFYDHGLR-CUUFJFTBSA-N LysoPE(18:1) 4.436861517 465.3220168 LMGP02060004 CDONWGCJDDHTLP-DJYGDJEFSA-N Asp-Glu-Ile-Phe 8.371380292 522.2311381 Bis(2-ethylhexyl)phthalate 3.84100287 390.2768323 C03690 BJQHLKABXJIVAM-UHFFFAOYSA-N LysoPC(O-16:1) 4.370690087 479.337607 LMGP01060029 PLQWZMJRHVARFU-NFPSEPLVSA-N LysoPC(16:0) 4.409481401 495.3328021 C04230 LMGP01050018 ASWBNKHCZGQVJV-HSZRJFAPSA-N HMDB10382 Pro-Thr-Trp-Pro 7.449984317 499.2424288 Gln-Thr-Trp-Pro 8.124563953 530.2486245 C25-Allenic-apo-aldehyde 7.41555481 382.2505579 C14044 LMPR01070293 MFDUGTOOXGORRX-ZROAIIAPSA-N Erythrophleguine 4.012213249 449.277889 C08682 DFDLSTQZQLKKOB-KQYSUTHUSA-N 3-oxohexacosanoic acid 7.535328984 427.4023599 LMFA01060181 PJQXMTFEXFYZCU-UHFFFAOYSA-N LysoPC(18:1) 4.347540704 521.3482988 LMGP01050106 HEEMBWYZIJABCR-ZXAYODBVSA-N LysoPC(18:0) 4.324089769 523.364058 C04230 LMGP01050026 IHNKQIMGVNPMTC-RUZDIDTESA-N HMDB10384 [ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol 4.72728236 382.3228577 C05107 LMST01010121 RUSSPKPUXDSHNC-DDPQNLDTSA-N HMDB03896 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 5.217339824 368.3441806 LMST03020618 FXKMDILIEQILCA-VDVRBEGSSA-N 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate 3.709130361 612.2636822 LMST01010329 KLTBPPZMCKDFRK-KZIJYIICSA-N PD 123177 7.444916678 497.2438496 C15552 KLVDUSUYBDMJKR-UHFFFAOYSA-N (24R,24'R)-Fucosterol epoxide 3.770307855 428.3654087 C03910 LMST01040151 XUBCLKHKJZCPFZ-UMKPQZCOSA-N Phosphonoacetaldehyde 14.40390623 123.9923176 C03167 YEMKIGUKNDOZEG-UHFFFAOYSA-N DG(32:0) 3.703869181 585.532978 PE(32:0) 3.735248743 691.514599 SM(d32:1) 4.166576409 674.5348039 LMSP03010035 RPTUKVYGSPDHGQ-PSALXKTOSA-N PC(30:0) 3.959066043 705.5297884 LMGP01010702 RFVFQQWKPSOBED-PSXMRANNSA-N SM(d33:1) 4.143490395 688.5510369 LMSP03010037 CGMZWBZSOINWHL-YPDYIYJKSA-N DG(36:2) 3.71350149 637.563827 C00165 LMGL02010049 AFSHUZFNMVJNKX-LLWMBOQKSA-N HMDB07218 SM(d34:2) 4.132071379 700.5505809 LMSP03010040 QQFVICUNTBNUKN-QQRIYSRRSA-N SM(d34:1) 4.126631438 702.5667045 LMSP03010042 OQCPQFVKIYWGRP-GWQJGLRPSA-N L-Alanine 14.53932497 89.04768781 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N HMDB00161 PS(34:1) 3.613212254 761.5190126 QRWCPZZFGKGUHF-FQGNUJBYSA-N PS(34:0) 3.583463839 763.5345318 WZFUPCSEUKNOBF-AARKOHAPSA-N PE(35:1) 4.539295556 731.5454832 LMGP02010509 JKNRVUASURIXEH-YWTUKGCKSA-N PC(32:0) 3.918642138 733.5609866 NRPOMZRRLOEOKX-KXQOOQHDSA-N PS(36:5) 3.654520124 781.4879265 BUZGPRVYXXZJOM-LCWFRSHRSA-N PS(36:4) 3.631784293 783.5034415 ZTNFQEXYTMNFHG-SOFXVBFTSA-N PS(36:3) 3.61160975 785.5194368 MWONMGIZXLAUBR-KSXMTAOISA-M PC(34:2) 3.890183335 757.5607464 LMGP01020033 PXPSGTINXJQLBR-VQJSHJPSSA-N [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 3.706098959 647.6211026 C00195 LMSP02010009 VJSBNBBOSZJDKB-KPEYJIHVSA-N HMDB04953 PS(36:0) 3.574923581 791.565528 TZCPCKNHXULUIY-RGULYWFUSA-N PC(34:1) 3.893671072 759.576196 PE(38:1) 3.867279483 773.5926925 VDNXNFMAFDYQSI-JHWHEROUSA-N PC(36:4) 4.204135209 781.5598157 LMGP01040051 HVVJCLFLKMGEIY-SJARJILFSA-N PE(39:2) 4.310111966 785.5917525 LMGP02010813 SEHASXPRKLRHPR-VZDDXLEPSA-N [PI(36:0) 3.62775673 879.5818983 LMGP06010002 BNQXGMKDXNGGJW-ORROODQUSA-N SM(d40:2) 4.093200635 784.6454269 LMSP03010071 FOULCGVQZYQEQM-DNXGLLHMSA-N PC(38:6) 3.830071081 805.5605928 PC(38:5) 3.830632062 807.5763839 PC(38:2) 3.804719174 835.6059248 SM(d42:3) 4.01855482 810.6616726 LMSP03010080 TXFLWJQVQCDUDZ-BRUGZULGSA-N SM(d18:1/24:1(15Z)) 4.021738468 812.6760397 C00550 LMSP03010007 WKZHECFHXLTOLJ-QYKFWSDSSA-O HMDB12107 PC(40:7) 3.825963204 831.5755358 ZEAKXAXFIRHBSN-WDYLLCCDSA-N PC(40:6) 3.798634919 833.5917737 FAUYAENFVCNTAL-PFFNLMTBSA-N Diethanolamine 19.92169246 105.0790118 C06772 ZBCBWPMODOFKDW-UHFFFAOYSA-N HMDB04437 Phosphodimethylethanolamine 13.54938777 169.0503178 C13482 BLHVJAAEHMLMOI-UHFFFAOYSA-N Creatine 14.23474742 131.0694355 C00300 CVSVTCORWBXHQV-UHFFFAOYSA-N HMDB00064 4-Aminobutanal 10.46945832 87.06837776 C00555 DZQLQEYLEYWJIB-UHFFFAOYSA-N HMDB01080 4-Aminobutanoate 15.02598768 103.0633498 C00334 LMFA01100039 BTCSSZJGUNDROE-UHFFFAOYSA-N HMDB00112 PS(52:0) 3.568215985 1027.77972 LMGP03010041 DMBATYOPPCIICJ-YWPJBLNKSA-N L-Glutamine 14.84924401 146.0691309 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N HMDB00641 D-Ribose 11.62709961 172.0348299 C00121 HMFHBZSHGGEWLO-SOOFDHNKSA-N HMDB00283 Piperidine 10.45104184 85.08909812 C01746 NQRYJNQNLNOLGT-UHFFFAOYSA-N L-Valine 11.77571836 117.0789823 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N HMDB00883 L-Methionine 11.17294239 149.0510463 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N HMDB00696 L-Ornithine 22.08594816 132.0899048 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N HMDB00214 Choline 20.71987347 103.0997208 C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N HMDB00097 Choline phosphate 14.455695 183.0660648 C00588 YHHSONZFOIEMCP-UHFFFAOYSA-O HMDB01565 Hypoxanthine 9.85511452 136.0385125 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N HMDB00157 Adenine 9.063204992 135.0544621 C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N HMDB00034 Guanine 12.05524339 151.049387 C00242 UYTPUPDQBNUYGX-UHFFFAOYSA-N HMDB00132 5,6-Dihydrothymine 14.35124014 128.0585191 C00906 NBAKTGXDIBVZOO-UHFFFAOYSA-N HMDB00079 L-Proline 12.34728618 115.063347 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N HMDB00162 5-Aminolevulinate 14.12141722 131.0582903 C00430 LMFA01100055 ZGXJTSGNIOSYLO-UHFFFAOYSA-N HMDB01149 FA (6:1) 7.497647676 114.0681316 LMFA01030008 NIONDZDPPYHYKY-SNAWJCMRSA-N HMDB10719 D-Glucono-1,5-lactone 14.20418868 178.047982 C00198 PHOQVHQSTUBQQK-SQOUGZDYSA-N HMDB00150 L-Pipecolate 11.84579824 129.0789744 C00408 HXEACLLIILLPRG-YFKPBYRVSA-N HMDB00716 O-Acetyl-L-homoserine 10.65701518 161.0687987 C01077 FCXZBWSIAGGPCB-YFKPBYRVSA-N FA hydroxy(6:0) 9.293936455 149.1052371 LMFA01050011 NYHNVHGFPZAZGA-UHFFFAOYSA-N HMDB01624 L-Citrulline 15.65706059 175.0956693 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N HMDB00904 L-Leucine 10.31770521 131.0946474 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N HMDB00687 N-hydroxyisoleucine 7.530928932 147.0894441 YEGAKLYOVHUQIJ-UHFFFAOYSA-M L-Lysine 22.71763797 146.1055462 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N HMDB00182 L-Arginine 24.16766964 174.1116821 C00062 ODKSFYDXXFIFQN-BYPYZUCNSA-N HMDB00517 3-deoxy-D-galactose 9.760436697 188.0660085 RUIACMUVCHMOMF-HSUXUTPPSA-N Mannitol 13.6827009 204.0610254 C00392 FBPFZTCFMRRESA-UHFFFAOYSA-N HMDB00765 Nicotinate 7.688354252 123.0320251 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N HMDB01488 Nicotinamide 6.538797962 122.048019 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N HMDB01406 2,3-Dimethylmaleate 14.312006 144.0422363 C00922 CGBYBGVMDAPUIH-ARJAWSKDSA-N 3-(Pyrazol-1-yl)-L-alanine 15.37892007 155.0695247 C01162 PIGOPELHGLPKLL-YFKPBYRVSA-N L-beta-aspartyl-L-alanine 14.81313451 204.0749147 ARSVRKCVNFIICJ-UHFFFAOYSA-N HMDB11162 Ala-Asn 12.94743853 203.0906024 α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 16.3781175 272.0298961 N5-acetyl-N5-hydroxy-L-ornithine 11.1557753 190.0953085 Sedoheptulose 14.37020037 232.0557803 C02076 HAIWUXASLYEWLM-QTSLKERKSA-N HMDB03219 4-Trimethylammoniobutanoate 12.71464264 145.1102196 C01181 JHPNVNIEXXLNTR-UHFFFAOYSA-O HMDB01161 L-Carnitine 12.68039282 161.1050979 C00487 PHIQHXFUZVPYII-UHFFFAOYSA-O HMDB00062 MOPS 6.856913801 209.072179 DVLFYONBTKHTER-UHFFFAOYSA-N Pyridoxine 7.816578674 169.0738784 C00314 LXNHXLLTXMVWPM-UHFFFAOYSA-N HMDB00239 Ala-Pro 11.37787707 186.1004529 WPWUFUBLGADILS-WDSKDSINSA-N Proclavaminic acid 12.99205127 202.0952811 C06658 NMCINKPVAOXDJH-VDTYLAMSSA-N Glycyl-leucine 12.3560902 188.1159814 C02155 DKEXFJVMVGETOO-LURJTMIESA-N HMDB00759 D-Mycinose 9.457121946 209.126215 C11913 SXWBIRCAXZNEGK-RTRLPJTCSA-N Gly-Arg 17.03122946 231.1330138 Methacholine 12.64798305 159.1258305 C07471 NZWOPGCLSHLLPA-UHFFFAOYSA-N Ne,Ne dimethyllysine 21.18721394 174.1368788 C05545 HMDB13287 HEPES 10.47839518 238.0981398 JKMHFZQWWAIEOD-UHFFFAOYSA-N Arg-OEt 21.32880495 202.143022 C01404 AKGWUHIOEVNNPC-LURJTMIESA-N sn-glycero-3-Phosphocholine 13.83882522 257.1025815 C00670 SUHOQUVVVLNYQR-MRVPVSSYSA-O HMDB00086 L-Phenylalanine 9.712372278 165.0790371 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N HMDB00159 L-Tyrosine 12.7796904 181.0739427 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N HMDB00158 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde 14.50328947 229.058739 C04796 FNEGJFDTWWXQES-QTWONPPNSA-N Temurin 9.451314831 224.0909345 QGDOQULISIQFHQ-UHFFFAOYSA-N HMDB04328 Dihydrobiopterin 10.05805288 239.1022917 C00268 ZHQJVZLJDXWFFX-RPDRRWSUSA-N HMDB02215 Aspartyl-L-proline 15.52770558 230.0901544 UKGGPJNBONZZCM-WDSKDSINSA-N HMDB02335 (6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 11.9166591 226.1065675 C06486 HMDB12482 Furfural diethyl acetal 4.659711865 170.0941914 C14280 SEILDMUKBMYIEZ-UHFFFAOYSA-N Hercynine 11.62189297 197.1165046 C05575 GPPYTCRVKHULJH-QMMMGPOBSA-O Ergothioneine 14.6066811 229.0881905 C05570 SSISHJJTAXXQAX-ZETCQYMHSA-O HMDB03045 Asn-Pro 13.37873199 229.1061558 Asp-Gln 15.85902646 261.0961876 gamma-Glutamyl-gamma-aminobutyraldehyde 11.48874071 216.1108763 C15700 JZNLEPLZUABCSQ-ZETCQYMHSA-N gamma-Glutamyl-gamma-aminobutyrate 14.20236411 232.1057788 C15767 MKYPKZSGLSOGLL-LURJTMIESA-N HMDB12161 Glu-Thr 14.58643839 248.1007337 Ala-Asn-Gly 13.58673665 260.1120855 9-Oxononanoic acid 4.58999526 172.1098618 C16322 LMFA01060160 WLGDDELKYAWBBL-UHFFFAOYSA-N Azelaic acid 11.34874212 188.1052781 C08261 LMFA01170054 BDJRBEYXGGNYIS-UHFFFAOYSA-N HMDB00784 Ala-Ala-Ser 12.0753807 247.1166056 O-Acetylcarnitine 10.24917499 203.1155053 C02571 RDHQFKQIGNGIED-MRVPVSSYSA-O HMDB00201 Muramic acid 14.38303693 251.1004931 C06470 MSFSPUZXLOGKHJ-PGYHGBPZSA-N HMDB03254 Ile-Ser 8.116677663 218.1264912 gamma-L-Glutamylputrescine 16.34714628 217.1425971 C15699 WKGTVHGVLRCTCF-ZETCQYMHSA-N HMDB12230 beta-Alanyl-L-arginine 16.36262073 245.1488339 C05340 DLRGFJGVZXSSTP-LURJTMIESA-N Ser-Arg 16.31306818 261.144123 butyrylcholine 7.528900919 173.1415814 YRIBGSCJIMXMPJ-UHFFFAOYSA-N HMDB13223 N6,N6,N6-Trimethyl-L-lysine 21.39064769 188.1525455 C03793 MXNRLFUSFKVQSK-QMMMGPOBSA-N HMDB01325