metabolite_name S00020814 S00020815 S00020816 S00020817 S00020818 S00020819 S00020820 S00020821 S00020822 S00020823 S00020824 S00020825 S00020826 S00020827 S00020828 S00020829 S00020830 S00020831 S00020832 S00020833 S00020834 S00020835 S00020836 S00020837 S00020838 S00020839 S00020840 S00020841 S00020842 S00020843 S00020844 S00020845 S00020846 S00020847 S00020848 S00020849 S00020850 S00020851 S00020852 S00020853 S00020854 S00020855 S00020856 S00020857 S00020858 S00020859 16:0 LYSO PC (M+CL)- 5576 5045 4467 5850 5013 4440 5333 6870 6784 8586 7770 6443 8067 4897 7027 4552 9292 8925 9552 9060 9697 8338 9075 7431 8706 8813 8589 9075 5681 9785 9084 7873 8326 4464 7665 6771 9182 8665 10158 9490 8163 10877 8323 8863 9698 9478 16:0 LYSO PC (M+HCOO)- 222902 172609 149478 218083 178319 192635 247577 242842 268133 267894 272833 212394 286313 134773 226745 170020 312459 316755 372107 321197 385620 271453 309058 286139 269386 288340 283192 319565 188201 326085 278982 283625 268135 161910 274844 260227 312687 313338 361702 340443 298804 467781 388354 336209 352703 392526 18:0 LYSO-PE (M-H)- 89344 31542 33167 126350 84618 53361 96792 120932 109966 109235 160220 65821 185232 34281 102952 105844 298403 333770 510461 272726 412586 186514 188595 156487 130938 197592 158356 226508 112629 159269 157867 207903 145018 75626 139119 132762 136451 185297 207938 208550 209472 253546 218532 172475 219724 253466 2-DEOXY-D-GLUCOSE (M+CL)- 71459 28126 35656 52461 90485 53355 33804 56808 36110 30473 80449 13624 52705 65179 44598 33344 27795 22049 17737 24885 11349 2861 6581 12932 10864 12967 9224 2059 3102 12114 2298 11844 40474 15395 122500 9528 72966 116455 29387 157463 104549 158244 75395 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 85419 62908 72526 79115 63916 100984 86693 131329 68795 76782 70149 40684 261595 34705 57993 62990 72640 136210 169924 186109 138433 101193 75115 88776 169784 129415 124170 100416 634926 194569 106384 186406 217049 95395 132071 148039 102745 44180 78240 101948 55664 51399 49449 44690 50719 85453 2-HYDROXYBUTYRIC ACID (M-H)- 48621 72221 46353 58264 83144 57323 68287 80354 72160 83284 117332 32183 64300 45454 55499 66314 91243 70161 112206 94990 119193 155804 44573 48011 60972 81618 22820 60167 51734 46528 56412 186306 34200 101686 45888 24087 52341 64193 57890 76176 45369 47245 45601 64580 68074 54211 3-(2-HYDROXYPHENYL)PROPANOIC ACID (M-H)- 2811 3036 3451 5348 7350 2079 4097 1664 7414 2633 2714 2501 6615 4979 5688 3646 6739 1748 6161 2951 2572 2637 6202 6225 8503 12485 9077 9060 9737 3779 4641 5293 3682 3624 4787 5197 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 124382 116355 71221 48280 100352 79148 106436 196411 104333 35907 189148 57124 45433 35633 53845 134743 341515 276876 356592 328445 347596 660334 345633 571731 456530 676456 355439 301459 195338 261063 176883 126450 390945 456637 153009 202543 281598 243198 127044 237057 261965 165060 252595 315413 237312 238932 4-COUMARIC ACID (M-H)- 80537 36598 36238 61223 62170 70667 53722 100540 37458 86656 134008 66948 222232 61993 88376 78878 25454 12630 17507 11026 28530 14455 24832 9298 8027 13140 16228 24889 19846 85786 90413 102292 65525 107050 108592 79682 16627 30868 11381 12063 7728 78364 4618 13182 14686 7370 4-HYDROXYBENZOIC ACID (M-H)- 9806 4984 4945 5301 6969 6756 6414 9117 7162 6439 11576 3883 3306 7039 6956 7910 11732 10526 9930 7866 10794 11397 8397 8086 8662 9039 8637 7949 11331 7987 11525 8985 4165 4-NITROPHENOL (M-H)- 60154 43084 41804 44514 42918 42242 39841 54991 40009 40656 44197 40781 50437 39472 39261 51997 39368 41473 53489 45048 42208 47830 43572 44559 42984 43227 49820 46726 44299 40235 49341 47151 44457 42251 37945 44671 45899 37840 41388 32561 37874 36035 32542 31763 38138 35212 4-PYRIDOXIC ACID (M-H)- 19051 28999 21754 22104 29535 25128 21656 69250 25711 62449 45851 18613 161637 7373 25358 36958 207352 220433 226184 272646 244719 202847 304385 526612 375754 460455 375672 199846 27963 151000 72557 131439 197151 171014 93736 178409 154440 159484 172624 156662 110676 96549 192710 134296 169941 5'-METHYLTHIOADENOSINE (M+CL)- 3761 9768 4389 5494 4377 6670 5142 8441 4132 7976 8171 2974 13991 2306 3313 5638 12411 23655 22357 27170 20885 28190 29052 44449 24321 21155 31423 29103 14907 9971 9474 10279 8689 9846 13321 11338 6024 12843 4157 5644 8869 7319 13641 7461 7122 5-VALEROLACTONE (M+HCOO)- 10340 52731 47238 59559 98071 168194 56190 121731 52736 88983 95445 19036 60771 70524 53224 46526 30090 33706 50899 29166 55232 42912 19273 20904 29137 27146 20784 10348 16740 41705 16670 16427 ADENOSINE (M+CL)- 9814 30044 9592 7929 18173 11873 8407 2334 11593 38742 10247 13968 2993 8738 9043 1306161 364071 49424 1439518 284616 823357 479336 549145 2317963 489717 518191 759639 31538 302925 134947 340169 46441 449009 190819 828485 980711 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 5048 8660 15656 23493 11778 17063 4849 6663 2934 3598 3954 11251 1116 ADIPIC ACID (M-H)- 36338 20508 22924 29104 22025 23191 21130 26643 17158 31692 21324 22583 31754 13076 1111 46038 21610 23967 50618 36648 9865 26320 15598 47638 39246 142556 38576 31694 4847 5631 9048 12593 8464 2770 5224 6044 9467 8293 9839 12632 7528 7410 12314 7212 1544 8453 ALLANTOIN (M-H)- 9811 13518 11969 12858 11071 7659 3344 14966 3012 11844 14656 5869 5220 4917 3850 4831 4207 3831 3565 3848 3452 3294 1286 1677 1122 4703 4684 1586 ARACHIDIC ACID (M-H)- 1762 2314 1795 2415 1503 2551 1779 3217 1199 1313 1930 4434 5447 3988 1375 2028 1821 2615 2214 1995 2435 2414 1929 1713 1681 2184 1727 6015 5842 4115 3421 6748 6322 3609 8378 3619 ARACHIDONIC ACID (M-H)- 1048610 1142469 570212 1075142 1261992 851716 1001357 913354 1327811 1887071 1459547 840407 1116418 408801 521940 914405 1896328 2725260 2725100 1822079 2384872 1725665 1767320 2134676 2304797 2058554 1823945 2677389 882146 1209059 1650861 980959 1713740 666761 817778 929774 1039924 1842978 1620154 1275026 1498140 1238018 2992268 2220314 2986638 2961093 AZELAIC ACID (M-H)- 27019 21774 23137 22170 22196 12573 20044 42844 22753 26321 31977 18394 57681 16756 25704 26658 29640 25455 43984 38460 39527 43349 51516 27986 32963 35132 30469 33951 26973 20568 35005 33262 30891 27908 23860 34542 9218 14947 19510 10991 6391 14825 11257 18311 11528 13364 BEHENIC ACID (M-H)- 1182 1039 1982 2287 1391 3003 1387 1530 1162 3937 4282 2718 1849 1800 1455 2025 1551 2291 1426 1484 1482 1357 1750 4774 4397 3588 2235 7513 4966 5326 6249 2481 BENZOIC ACID (M-H)- 22800 17726 23418 12716 17027 17135 17120 26368 24221 31557 27741 12734 27616 16769 11263 18377 16119 19427 20073 19797 15873 28137 17082 32287 16146 18723 16016 17604 17551 21881 19529 19678 23488 26635 15681 22455 10072 14274 16547 14675 13886 15196 9311 13300 14647 8043 CHOLIC ACID (2M-H)- 520223 223375 196303 141156 19768 26534 684043 1172510 297077 71945 1958423 129335 2263232 18068 147065 7974 858369 2208631 5530479 6017665 4302292 1740413 1759508 1385886 649727 844130 1316806 4345042 615463 1408066 153174 466336 27705 32521 1371306 281922 2068150 746592 2536437 2808514 1576757 255516 688840 1709339 822330 746364 CHOLIC ACID (M-H)- 10873 166063 151496 4695 19343 25207 325877 26516 202558 64165 491731 107522 514741 17551 118955 7870 362137 14309 25505 28713 617988 16904 472531 439149 317770 345172 411906 27689 48391 43122 10231 266980 26271 30966 26857 196400 505803 21473 35452 27138 29817 7080 11406 18942 9894 343332 CIS-11-EICOSENOIC ACID (M-H)- 12140 17060 15847 22127 18497 12752 14466 18174 19428 28012 14365 12499 10056 7652 8300 14385 21214 52227 48218 22578 19011 18076 25087 24651 22519 21920 16875 26557 16572 7922 22178 27926 16486 6759 6209 9944 8112 40283 34217 35562 21649 32460 50273 16944 38770 53203 CIS-ACONITIC ACID (M-H)- 6764 126596 5055 2842 238881 67527 34120 168354 58926 65389 74868 55352 58663 177327 214776 178134 337048 803784 138984 391843 384254 564546 166980 431528 88361 52360 37710 39242 23932 34865 26806 47549 30882 17558 CITRAMALIC ACID (M-H)- 14477 12817 8248 27815 15615 21180 10398 94092 12550 67006 65449 93812 70105 107392 86645 81029 98513 115986 105400 116733 88303 92882 113246 53529 89446 95273 102399 64218 70535 81778 62354 64594 79363 58906 51014 12545 64950 48443 18246 CITRIC ACID (M-H)- 77859 46099 18354 49233 43794 152605 135412 45557 24953 139865 147268 12896 1515264 7263 84695 4417 8097552 4091960 8128615 9648121 7967830 8090484 6443614 2399334 7958062 8049503 8399640 8387458 7697644 7277603 7528816 4929547 8090053 6477413 7125970 6718057 1114645 478147 345619 467299 621736 460995 449665 340272 430591 343497 CORTICOSTERONE (M+CL)- 26538 106131 63688 44054 56739 146380 90212 142305 63098 126200 79977 47067 26269 5914 11120 79355 134158 104973 80618 54442 151309 21216 149892 191596 157573 98995 106414 154748 104335 215252 173079 178414 198456 118963 234262 263759 138031 135588 84499 104450 93232 239311 92217 172474 205820 155126 CORTICOSTERONE (M+HCOO)- 26833 93326 57648 41188 50736 119791 78092 117831 56141 101523 68991 42725 23853 6083 10932 68440 138648 136374 127156 100045 183929 33949 199008 264595 216007 139093 151440 193456 179734 273157 255287 242446 214377 241485 266438 315394 108285 108155 68901 88163 77503 183497 74786 135052 159773 118691 DEHYDROASCORBIC ACID (M-H)- 2700 200727 2178841 2142140 2281689 2716348 2182130 2615467 1982136 3044628 1976837 2786751 2338123 2288063 1878492 1988129 1583243 1902056 2454817 1869117 1629194 1518127 233513 111654 124494 115993 145447 116746 140414 100580 113395 124464 DEOXYCHOLIC ACID (2M-H)- 3547 2009 1670 4136 8217 13925 4684 6580 77144 10792 59362 6711 24537 12013 6851 8368 11485 56899 30036 12972 8445 1832 3080 9157 1341 13703 11674 23763 56243 15761 1254 16444 4341 3705 DEOXYCHOLIC ACID (M-H)- 49646 6902 32606 35154 10078 66736 20618 14482 50591 95743 4447 10099 18891 89922 98463 326134 104512 245028 61684 139949 108650 92854 91158 109943 257581 72424 53606 17904 75160 52250 61145 56490 112177 70948 142390 232833 101301 25705 131213 56520 53359 DEOXYURIDINE (M+CL)- 353607 580436 361015 465833 464148 509779 425581 542433 803498 666936 721229 301809 941200 232274 487491 577570 1027351 1182743 259253 1014577 286789 949945 458141 303926 414901 1136614 1038098 1087923 2182415 550340 713960 717127 449547 336710 575627 702137 1115874 761639 687426 754711 740485 691141 439442 572753 498230 640615 DOCOSAHEXAENOIC ACID (M-H)- 1037598 892871 762409 989585 1315941 832624 962038 1017191 1344122 1852874 1324304 700691 1011846 378671 482869 993063 1667086 2533609 2109819 1513322 1739648 1119671 1542771 1181688 1411957 1679982 1179202 1496049 715271 827862 1113519 948507 1364040 487778 569942 575699 353865 1190740 554361 686759 618897 442228 808505 429000 828466 1222834 EDTA (M-H)- 58258 521123 178257 248350 272792 313103 209574 70787 64425 179619 381807 174106 496170 47450 311341 993057 62402 523934 ERUCIC ACID (M-H)- 1490 1137 1455 2672 1203 1469 1261 3586 1112 1156 1422 1817 5758 6388 3244 1688 3065 2576 3040 2252 2229 1510 3765 1591 1552 3517 1540 2079 6394 6377 5609 4443 6232 8701 5931 9819 3334 ETHYLMALONIC ACID (M-H)- 9064 6642 5885 5080 16276 6427 29187 5103 17104 28724 24113 27519 20775 31173 49903 38888 40072 52120 14234 16152 11001 20067 11954 27109 20478 18179 11030 11058 34302 27539 24247 17715 25250 15912 14840 12950 9793 16687 GLUCOSE (M+CL)- 1426933 1824987 1817052 806082 998607 7826 2100063 1129140 1058851 679839 41388 2214086 96745 1567101 728577 449756 351467 272459 27414 265603 249945 2051 213415 31205 48044 210654 263032 452763 22543 4550 20124 199669 225315 306803 32126 1922502 3008892 42008 7952 3009456 37315 2557586 3054654 3076742 1947182 GLUTARIC ACID (M-H)- 10122 7536 12305 3831 7962 9044 22197 5173 25813 27511 8132 7587 10134 3930 4388 5143 14021 11118 80182 9747 12313 8588 4057 18457 14004 8065 4777 6584 5625 5246 8428 5811 12783 12067 8964 5240 GLYCERIC ACID (M-H)- 49693 38910 12459 75164 19845 2914 20981 41010 19679 13698 22874 14253 19893 16381 19780 15930 19317 29968 38368 41099 35740 26554 52349 52496 33684 GLYCOCHOLIC ACID (M-H)- 292957 51305 41767 60185 10042 51652 56483 388801 42243 58356 134705 44206 224734 31758 421852 13873 1209921 1133512 313539 490103 239830 22673 186879 178379 465706 214230 910317 255598 7620 74137 140119 117790 24324 25922 240349 81248 97882 34634 14379 41347 47532 9207 264059 29799 17583 194599 HEPTADECANOIC ACID (M-H)- 7205 12812 13018 10829 10975 5446 9793 16198 12463 12188 8094 11081 7061 7715 5658 7754 10457 24876 29494 14359 10030 11965 10472 14946 10903 9117 12694 10249 9157 5169 11665 10763 9529 3924 4705 6057 6105 17883 10621 9626 7391 14823 17892 12846 17316 20500 HIPPURIC ACID (M-H)- 599051 319593 155972 328506 301334 581834 335133 913569 216390 1106453 1181321 255304 1917280 118756 420430 501950 377922 609209 415337 409537 560911 581128 317333 300067 104520 739528 379410 158780 84627 623895 361734 526720 1082214 610998 422663 362867 1569026 1141977 1025361 1164775 811552 1323759 594209 1180993 510216 1139076 HYODEOXYCHOLIC ACID (M-H)- 1025227 1129542 1156278 913896 1067843 1291838 1078445 624304 998573 925265 903986 1803880 916500 633242 1008838 951887 662864 1080805 1023085 1085017 986046 915985 952029 1092497 1088790 1021783 1707397 1032111 1144901 1506538 789744 987897 968593 459038 529785 572814 249280 1147721 1149430 1030945 523710 625299 747648 1165125 1118298 864975 INDOLE-3-ACETIC ACID (M-H)- 2125 1584 2408 2319 3476 4194 1945 1966 2366 4756 2573 5487 6190 5565 3357 2637 6210 3415 3795 9750 3450 5651 2831 5828 6380 5516 3537 4742 5481 7515 5131 3660 8424 4836 3174 3846 4917 5262 5096 INOSINE (M-H)- 5608 70012 18972 45017 53426 59565 32243 57041 18916 49867 82789 152512 197179 88646 252939 104715 215612 8385 7992 167576 KYNURENIC ACID (M-H)- 1991 1968 3253 3050 5724 2535 14129 3456 5320 5349 5290 3107 3226 5684 4001 5908 6419 4018 3599 2903 2858 5484 3375 9232 9389 8343 10901 9089 6337 3283 3852 3532 3136 4846 2014 3262 2753 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 413699 531481 522309 558024 495320 434506 482915 594421 481300 433394 426947 530186 370688 477461 439101 488093 353842 363547 368492 366610 357704 390336 369028 359481 374510 349865 355557 403468 412723 392774 432915 391351 390710 429980 390037 419948 393864 376126 453238 371644 390056 403724 353668 379888 390870 388302 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 260426 378769 377386 371246 267841 337448 388370 351613 309086 264059 362963 223465 346891 298518 329529 200664 300447 327876 285787 332357 274194 338457 323126 273535 324085 246903 263242 297276 263380 299053 300225 365655 240133 211250 318257 266990 244022 324588 225091 287015 251293 LEUCINE (M-H)- 79933 111648 106197 129516 104352 156586 128236 222950 99107 107915 78410 87729 271645 31547 129430 118756 68156 48249 54595 88606 91876 87823 69365 112385 93230 75909 30426 76051 191396 170870 201248 170796 157494 129212 144764 215595 285397 290567 450408 239964 124817 170023 281503 179492 282695 LEUKOTRIENE B4 (M-H)- 5579 6292 1630 2885 9097 1377 LIGNOCERIC ACID (M-H)- 3441 3334 3380 4521 2852 2343 2533 4783 3007 6206 2998 4023 2793 1788 3984 3641 2575 6543 5889 5052 3114 3318 3289 4481 3326 2529 2908 4494 4711 2307 2654 2913 2547 1910 1756 3057 4337 8593 10399 10552 6160 17644 11819 10873 16641 7190 LINOLEIC ACID (M-H)- 854700 996609 742803 1178084 1341922 737268 994127 1073801 1235699 1670960 1313287 879042 893871 436536 417876 735245 782737 1653065 1682042 943529 780381 597161 844716 936905 1058134 752857 616890 653666 494097 343027 1145669 944229 984687 382122 227455 416690 211847 985897 424031 527445 315035 444165 919089 414100 882172 1748028 MALEIC ACID (M-H)- 30890 30722 13329 33969 19820 38088 20149 44678 30968 33772 35285 24257 52712 15634 41212 28915 15522 24578 21119 21448 21567 12046 24552 24175 51415 16570 17935 21614 26056 6609 53674 32867 59389 36380 21270 29761 17691 16758 31285 21119 24061 20126 32824 36042 20471 MALIC ACID (M-H)+[-H2O] 8007 9284 9509 7267 46088 9426 9162 20378 42246 7444 29015 14582 20723 23253 4768 20948 12711 27982 34947 40581 38609 30735 27625 30098 3925 65754 37188 18225 47939 28072 12302 9440 16699 31355 20688 16119 16700 32824 22368 4675 MALIC ACID (M-H)- 77418 61635 49193 33009 42768 33459 96230 30914 7426 205504 18979 19635 350391 222357 446174 331414 341719 313045 344936 393960 486462 755645 267827 193858 381286 435061 348549 912469 524584 397769 705955 436788 195675 71845 134113 169942 77754 185220 93565 135101 214803 109731 MANDELIC ACID #2 (M-H)- 1259 8081 5307 10961 9982 9590 7872 9499 8762 6603 10563 6776 4944 8105 3645 3456 5354 7101 3602 1790 6147 9485 MANDELIC ACID (M-H)- 1817 4376 7267 5050 12226 8565 14251 9974 4308 15036 18554 5011 8471 11038 5864 5051 4056 7457 5144 6303 5232 3741 3862 2815 1886 3700 METHYLMALONIC ACID (M-H)- 27143 17229 26163 21216 35946 28299 46405 42787 35421 80120 21196 119569 19204 31980 47045 178492 359584 170423 199934 205262 194097 110094 222787 176778 307453 313946 188230 72720 71263 80817 75161 27276 57461 62551 68709 270621 170949 150225 256626 117654 203932 90833 165227 105478 94530 MEVALONIC ACID (M-H)- 76383 47845 41524 63983 49211 70168 52696 91360 52764 78676 62983 56850 47325 23308 45866 77571 34056 24118 26880 36737 19876 31381 16112 39128 28509 61258 40439 43982 23034 48003 34865 34462 33062 29356 15004 47482 24219 45287 24688 30461 MYRISTIC ACID (M-H)- 13458 27072 24998 27524 27914 19040 22256 33028 24182 26173 16327 24363 21019 15852 9902 20727 87097 177324 159579 70627 66175 55386 77114 71720 63342 55569 52716 57303 22013 12255 26364 23616 29654 12484 10775 15062 13263 36073 22948 17594 13706 20656 33704 24855 34547 52940 MYRISTOLEIC ACID (M-H)- 4575 5111 3346 5524 4651 3081 2947 3656 7214 6581 5607 5043 3248 1547 1586 3238 9388 12184 22263 5446 4535 8100 4794 5274 12801 25740 2615 3173 2834 3223 6754 7520 6858 2325 2044 2250 3742 4303 2730 2962 5839 2110 3193 11745 N-ACETYL-D-GLUCOSAMINE (M+CL)- 43017 35785 53498 12400 15450 10179 9597 7094 4714 6059 7426 8362 1631 6051 3225 9552 45227 14974 41034 43187 11656 39876 41295 48221 N-ACETYL-L-LEUCINE (M-H)- 2109 3248 3588 4127 5817 5293 5242 8032 6027 4971 5387 31273 3575 4648 3624 7962 4882 7529 6501 10255 8154 17346 23221 8072 12881 6641 6505 11050 10916 23606 14415 12265 7939 13951 10714 10206 6534 6287 4449 9784 7228 NERVONIC ACID (M-H)- 9979 5268 5401 18468 7426 7076 6362 8360 9808 24174 6149 6323 9564 2404 8394 11317 11469 35286 25301 20495 12414 16252 16296 19696 15881 13054 10095 20211 17092 6855 9555 25990 9092 6342 4108 8354 15797 44443 55471 45130 31052 86355 59461 41311 77141 30415 OLEOYL-GLYCEROL (M+HCOO)- 3978 7174 5085 6886 15361 7971 9796 17241 8230 26647 12037 3680 6102 1637 4024 6523 2194 6466 2857 1983 1184 2173 1773 2720 1195 1001 2576 2278 3695 5308 4671 2394 3013 3268 2228 1308 1152 1152 2781 1001 2151 3158 OMEGA-HYDROXYDODECANOIC ACID (M-H)- 6487 5023 6107 2833 3416 2595 4024 2725 2881 2360 2730 4147 PALMITIC ACID (M-H)- 407349 639537 710862 589988 729887 399512 517859 751713 573187 721405 369683 550995 280879 315498 220828 403060 724271 1619478 1374706 871214 574702 618850 680802 867284 880656 528919 672600 655578 341315 216340 610582 385038 613563 253836 121322 230418 127243 717091 369521 313518 193066 320857 813332 315758 872389 1311819 PALMITOLEIC ACID (M-H)- 224278 307652 201798 411620 346085 189050 231283 181686 401298 484260 361801 340068 173210 119124 94229 187356 154577 448164 478949 196737 206657 228244 139868 185116 186655 104915 126018 133072 59389 61330 135071 140008 128560 61455 34171 49676 37862 134404 69397 60839 46051 63193 140791 77084 162628 435011 PANTOTHENIC ACID (M+CL)- 4262 11176 10335 21264 10710 48125 12665 60907 5867 10023 45265 21938 8808 9210 12812 15600 20519 16876 16826 18067 6540 22278 17196 23750 7214 19558 3307 12917 5786 16864 4867 PANTOTHENIC ACID (M-H)- 12381 12590 8729 11676 14323 16225 10564 15968 14852 26469 24919 12397 45175 8568 17398 14003 32014 61596 75845 129654 41033 177143 20289 39384 137234 61168 33288 33819 45929 57961 20594 60139 23153 43016 35838 30945 27090 31539 49380 33776 39363 17822 26885 30526 36646 21088 PHENYLALANINE (M-H)- 193077 284624 157108 238046 232780 303486 197880 376538 229972 280366 176805 139739 682890 102222 249862 275440 322618 300600 304957 360830 284663 285458 337236 356211 389127 399891 211033 259076 753305 371240 488083 258224 284963 170042 318784 409761 428224 423007 637901 442499 386075 264469 367795 539342 489330 463199 PIMELIC ACID (M-H)- 3300 3715 6173 9689 5894 14876 4361 2122 PYRUVIC ACID (M-H)- 18130 22673 15362 15100 23488 12318 19852 24235 10137 1993 14743 4029 12338 8202 13497 16564 23079 21473 5387 3691 3032 4201 4461 6070 SALICYLATE #2 (M-H)- 358348 303873 259323 434234 355199 527037 460214 910841 490005 438739 508102 321570 1202659 160633 305072 418731 93788 75602 105621 204299 152923 203379 38620 101787 59683 134201 79433 75581 295093 685067 501500 519658 686320 397452 1025583 632138 756861 626420 420951 572476 384774 748878 321871 457310 487869 417400 SEBACIC ACID (M-H)- 3538 2977 4343 2868 3454 2413 7700 1850 3306 76761 48081 74726 132108 26904 45719 76337 40852 45577 60716 77737 51515 4109 4327 6432 7106 6825 5529 3878 5369 3391 2984 2304 2988 3063 3658 STEARIC ACID (M-H)- 175734 197458 173184 290871 160142 62911 173312 171428 258789 470146 150412 245016 332660 103341 199068 354980 388225 753579 645944 530777 312391 270606 265605 247370 204377 209569 238155 265869 401503 162809 408915 395889 276011 61960 262420 341416 725404 1333681 1068625 863271 607791 949488 1443482 1267186 1713369 1073328 SUBERIC ACID (M-H)- 8803 5278 4672 6147 4905 11048 4303 6773 7136 10978 6203 16408 12824 29353 22901 12125 20635 22388 18758 15894 30617 19045 14097 7113 8346 8362 8961 7643 7258 7373 10728 15091 10396 8893 6491 6014 6061 6125 7287 SUCCINIC ACID (M-H)- 330868 363037 235786 330706 155521 289324 179650 325909 274148 301616 440084 185280 214758 74277 286243 264152 78078 80074 134482 144922 81753 88139 105676 173985 156517 2272637 74487 127840 110993 65364 53997 145452 69578 155439 95881 57903 255814 341577 289486 275034 284230 264794 321069 389971 459120 264210 THYMIDINE (M+CL)- 118508 186188 109078 146316 180354 181049 135076 212652 181568 254642 266394 114251 526295 57885 179532 185128 423978 1009481 938987 364208 371913 872219 1136620 967820 1505996 946891 808456 814413 493484 262835 404157 762160 613968 180872 596668 715403 453511 362792 316337 242932 192850 350164 179057 323373 293628 455376 THYMIDINE (M+HCOO)- 27929 45670 28668 33263 38695 38511 28763 41865 38584 47230 48401 30249 47555 17631 35175 37833 50519 63306 51433 47718 43333 48381 66680 48895 87252 40880 44860 51967 32182 32489 60542 55007 41212 14959 38714 47507 47453 42007 39227 52545 40451 45017 40973 42380 35806 56269 TRANS-ACONITIC ACID (M-H)- 35227 65809 34934 29441 52552 78645 29790 51808 78751 347392 5091 57338 33236 1765030 1488968 1892239 2174412 1635907 2518394 1678251 2290774 1555277 2047203 2265779 2308864 1449047 1654838 1029864 1464852 2081326 1141054 1194889 389855 182115 172943 175629 216915 216708 224443 203915 206598 175544 TRANS-VACCENIC ACID (M-H)- 1200612 1576789 1150351 1611706 2101272 941064 1395231 1129615 1842825 2413846 1912649 1398322 835717 646761 464653 927602 1292287 3026557 3002445 1484729 1319393 844294 1256291 1232076 1423738 902954 899480 1234827 511779 401567 1413798 993126 1039899 530752 223167 406527 198374 1185002 482558 564070 347320 525051 1597846 460452 1513587 2765842 TRICARBALLYLIC ACID (M-H)- 7745 5358 5142 8812 13181 95113 13439 268490 463571 442919 566990 762086 717126 681783 814375 704996 767621 810192 863442 232910 390655 240216 314173 269735 375383 198885 402814 102134 56071 58971 79284 48893 45098 53231 118977 58034 53378 TRICARBALLYLIC ACID (M-H)-[-H2O] 8279 8097 13189 18866 2556 44519 36172 78206 70034 183516 90915 90163 161065 252431 81022 210692 183696 47644 52908 28082 35283 33900 37119 51922 49032 11185 9573 5921 15008 3539 TRICOSANOIC ACID (M-H)- 1380 2140 1289 2358 1644 2207 1693 1376 1546 2463 2257 1721 1648 1363 1184 2803 1181 1954 2293 1093 1119 1063 1345 1994 2980 4696 4235 3099 4046 3723 5712 4813 2988 TRYPTOPHAN (M-H)- 2762494 3611304 2358687 3722460 3211627 4272703 3313639 4517020 3980382 4318972 3331053 3127564 7053627 1635374 3247560 4217579 2811556 2424446 3374233 3315001 3328109 3831646 3431484 2756246 2729008 2512888 2451681 2788427 3245605 4091310 6393012 4250828 4430714 3244206 4558896 5328468 4910140 4629685 5690935 4926880 4681464 4113267 4223539 5635516 5441082 4947606 TYROSINE (M-H)- 33869 30408 18620 26849 20005 39339 12990 34614 13043 38060 27302 28047 74310 18698 55980 25482 37711 27721 40497 32996 43264 36949 27168 24054 34253 13791 23339 19944 85613 41425 47737 26761 33392 23153 37066 51189 76867 32701 37907 81415 28122 51495 49168 41148 25444 22602 UNK_101.9412@24.504 387128 232827 208574 372920 334967 268756 252042 283127 286496 368765 354795 417363 295809 193414 448416 432288 232354 225706 202959 248992 241801 318500 232354 287594 279489 221141 212625 241837 425775 246727 248461 291801 314442 420533 344899 344001 327975 291159 305783 355531 309303 298664 344229 375359 360382 325614 UNK_102.0317@0.906 21215 12426 12820 26651 8354 16655 19938 29434 16553 40954 17929 6224 30067 6149 31495 11625 30347 20618 31137 19820 25641 24122 21517 17503 24330 20908 17638 21594 39594 40445 36013 61837 48552 34025 57739 35089 23624 14445 8915 21470 12313 29267 10472 32475 22277 UNK_104.0473@1.481 82150 26349 36443 22565 50071 32970 39150 56825 20267 52805 51069 28475 76978 26846 21288 29420 446524 391995 446599 436314 232390 388457 274744 317808 469432 485805 304570 386205 55590 55252 68555 174594 117863 124108 65545 61918 51962 70701 116673 62733 108902 56826 406653 70640 232746 335127 UNK_112.0165@1.022 8268 8899 9076 5462 5958 6534 71493 3976 194992 348744 227528 164890 212848 220256 212397 219394 203722 105305 442540 203081 252667 215140 193551 188490 190367 494319 178872 188254 57971 30814 19631 27141 41723 28388 31902 21229 26660 22540 UNK_113.9928@24.520 104138 103819 9040 107630 148835 97252 101970 93634 143854 152567 136409 136760 117180 72115 111838 128550 111074 138559 151550 110910 152903 133029 100661 121674 123063 95862 112452 103852 134408 105756 118432 123152 117930 128596 129684 138066 131886 162562 152361 188555 161024 176784 142602 185039 174256 166113 UNK_113.9929@0.881 2926435 3449383 3621792 2372879 2059395 6482097 1928930 3187505 2298086 2057662 4193267 2619509 1552285 2142144 2061401 3280127 1299352 1124950 1036486 1049667 685308 785326 1128940 737624 850936 547924 1087651 1195137 1038401 1112336 1353966 1233890 977797 1028435 839496 1399620 915490 1129393 885321 758085 730693 706248 961960 433797 942423 1201066 UNK_1164.5507@7.313 2291 2038 4786 7524 9773 5568 2671 18281 17929 5927 5129 1411 11061 4818 4876 2288 17447 16111 13395 16691 14338 11709 31747 33838 13370 13596 UNK_118.0266@1.087 74734 105045 156115 30920 24079 46964 46628 37065 32591 45010 79155 72772 1210312 33977 57623 68378 36818 32362 73094 36578 60895 57663 30597 176955 193664 172451 182489 141135 159316 141059 198959 250131 125512 UNK_118.0627@2.438 32694 39320 34310 35389 45192 30715 41762 46539 49806 39584 41786 32241 29563 25042 34173 39938 67906 66355 42681 54911 79784 91729 54528 52024 72724 43234 65871 57079 23788 39239 47769 78214 42126 56588 17994 31894 67905 60711 60002 55627 47716 68015 41126 52247 44751 43199 UNK_1184.555@9.557 4722 3671 7897 12435 10170 2455 7796 7705 3968 16488 15101 12774 7467 2355 5792 6036 3375 2582 10131 9059 7559 8301 12064 9139 13131 14752 15525 12154 UNK_120.0418@0.889 53729 47800 32226 54203 77407 39653 53082 61052 65738 58629 68987 40114 105676 27726 56957 63959 79312 94376 28083 30226 53438 38877 21622 36230 48987 27357 10876 21770 72873 47366 35609 43599 19629 42882 45515 111769 157651 155305 74059 92183 24689 67609 119693 18472 43309 UNK_1235.5918@7.479 3028 3058 7647 6590 7759 2132 5450 5267 11728 12008 7744 7905 16700 9154 6865 4590 6908 7017 6827 6291 8628 4091 6527 5485 1871 UNK_126.0082@0.989 154176 137042 132637 142043 146994 148426 185328 144027 179989 105378 167716 117625 120764 125332 184340 171221 101573 58143 82535 87850 88561 88920 78886 114914 126056 62469 109691 111777 88732 87429 75734 100886 119216 129365 137261 78522 109969 84004 124440 124505 89351 118752 94263 108811 UNK_129.0424@0.894 414428 536447 288495 461502 303675 683601 489676 523365 618112 421606 495380 189886 652430 182908 507591 415497 381452 200219 233869 172978 195639 145312 182403 352230 177429 222160 181242 202329 174184 217126 158371 381224 663916 363165 589057 652271 370120 484629 470895 634035 418829 UNK_131.9513@24.506 326715 362974 182753 381014 329282 192104 260826 304712 340977 351676 370578 422221 299844 169002 449737 415665 193427 221459 212343 248022 222995 283793 209000 273665 262326 208364 222144 229187 457656 192692 270897 258792 287142 275675 289427 306081 325222 267620 308049 348396 313655 288090 341844 389143 324898 296828 UNK_132.042@2.453 62221 51159 22011 60234 46782 50466 46540 66209 36079 96699 75678 23731 195371 17004 60990 56598 180754 150157 127945 146560 112081 177079 197736 242419 265575 485984 160335 160616 64088 88766 101984 127341 162124 186591 51879 106680 287907 351407 287322 255976 295633 191573 196489 212017 192398 215836 UNK_132.0784@5.989 18654 6900 21462 11727 10569 19994 13603 26032 16689 8524 8226 18833 65121 6906 9448 13388 11012 52953 65305 57134 33937 19468 7982 25739 80770 60593 55009 28559 260999 40162 18763 14703 46758 9297 39887 23878 20713 13336 4949 28930 13429 13036 7614 9475 10842 16772 UNK_133.9316@24.505 162685 150927 87738 162334 141623 84183 100582 140325 147958 146239 133191 192885 134532 85170 139340 191164 84829 100198 79405 93487 83479 113078 69523 106841 117484 85971 93955 88796 181711 67878 109543 87546 114556 144086 152311 126002 118788 106549 117563 125172 156613 116971 146384 154136 145419 125833 UNK_136.037@0.745 206886 104167 244574 206456 105405 185764 275580 147925 158476 372923 129044 181789 115535 178414 233413 182404 68540 5399 5574 5292 4822 4875 12353 11856 9960 5472 6943 7019 6188 1317 8061 29455 597859 748611 396223 547299 577273 417959 482742 588912 608808 508420 UNK_138.0423@0.944 56047 38389 28111 38647 27211 64124 51019 53663 38581 35402 50165 30338 35796 25383 67781 48202 7431 8753 3576 5166 3887 8642 7289 5733 2108 1967 4044 2494 1206 2150 1792 35424 80028 43133 23638 35973 44721 47901 34389 32021 107420 UNK_1394.6606@9.403 6305 7064 1170 10874 13259 21408 4855 14896 11227 7511 7387 12529 14336 11076 5398 9571 5305 8160 6902 16773 14417 16969 16888 14933 10461 7151 12156 18369 12862 UNK_146.0498@7.622 42679 56592 54794 58923 52212 41801 50406 71035 56223 51929 48954 54510 41816 51778 50302 52405 46591 50780 56254 54913 50421 58759 50392 57567 52723 44615 56379 58764 53833 42394 51040 48066 54232 52507 40029 49953 39968 42395 41510 35507 37528 42514 33974 40495 40705 43294 UNK_148.0365@1.059 52158 38194 25979 54514 32850 50051 38538 85776 40522 103700 53307 19860 60124 12084 53041 31261 21941 21751 15984 27412 18558 13859 12639 18433 25539 20569 11477 42310 42406 44566 15004 23746 10262 33256 26642 57692 107065 30116 56580 37496 112938 58231 48650 92852 55736 UNK_150.0522@0.723 54840 42592 33127 68342 63733 76367 47832 98091 50711 91181 58138 61371 5299 32101 74471 98577 4185 3706 7984 2637 3415 1449 3103 12712 5457 5862 1743 2830 5497 5567 6803 5607 107409 22714 70620 74036 17642 54843 91208 69006 39792 UNK_154.0264@4.223 174803 175568 91943 258979 161037 317565 268798 480518 268906 316843 425259 264162 1089581 138069 240112 354670 376251 500878 438587 940001 426822 645941 105509 248981 171683 283270 467578 209179 363178 710993 541045 630787 795399 286087 611282 797700 1042210 772820 802584 873683 539308 692974 395288 745890 490997 524793 UNK_162.0527@1.350 7012 173161 197091 186914 148720 184372 142440 207137 186303 324925 239769 369182 261505 201078 105922 104232 70795 66929 183148 145514 101782 144963 265675 200352 264688 218351 252594 141505 199332 307431 219142 202559 UNK_166.0627@6.943 23973 14698 18544 20059 19723 24861 33723 63172 16495 26521 22998 15288 137144 14338 9337 17194 34770 44106 67321 25973 38103 33476 23562 52086 11111 66597 33276 46505 143266 78754 50518 79271 76887 49450 73498 65934 78922 54922 32732 57865 38074 24273 23062 41795 30388 35444 UNK_169.074@2.436 8743 12157 13376 17295 12119 8557 4149 14153 8191 10607 9038 6594 30688 8079 19868 15984 38571 43229 59580 43882 46969 42792 54445 45212 82714 21562 58427 93171 56588 20364 19453 13440 17844 20476 21371 20626 15708 10995 28628 11520 24090 16959 29065 25598 11185 29602 UNK_1703.9261@16.206 8014 4677 12469 11357 10257 7577 25474 10824 39576 33363 14348 16366 36116 33849 15160 102966 2897 24049 17520 2645 16543 6855 9884 6878 3144 22251 3462 37124 3128 48749 35374 39658 25555 65537 133059 41170 45443 57436 28435 UNK_175.9629@19.725 46749 48627 49782 53412 46738 43384 46211 51439 49135 47303 49456 47748 30318 47637 46199 47790 53386 49760 52641 45028 51230 46160 59879 45349 51969 43115 47626 52265 42702 40142 43336 42710 42654 47954 40439 45054 47590 45651 45365 43850 45898 47146 42111 42703 45398 47970 UNK_178.048@0.930 4285 5874 4673 1068 3988 16104 2686 32964 17900 27993 24714 31091 25307 24090 22748 26717 17140 22292 18135 47160 58497 30497 46325 35417 21564 30115 34290 17183 2860 25041 2611 4832 4125 UNK_1790.6375@8.414 19680 21368 22433 24980 21223 19644 20923 24214 20603 19852 20230 21521 19854 22382 18917 20994 18732 18368 18965 19892 19554 19878 19527 18717 20221 20562 20905 20547 19945 19466 20192 19005 20792 21292 20002 21594 20187 16704 19705 17431 17555 20052 16243 18238 17135 18366 UNK_180.0633@0.714 52238 41947 40989 45756 68511 58741 39646 76001 45204 84496 34569 46731 18096 35261 60585 91325 4664 10693 174410 5363 386192 7744 266530 8848 2425 5481 3081 11748 1851 8807 2442 7048 3351 6970 7807 3336 45509 5386 3424 9755 19897 14984 5213 5206 40238 UNK_182.0577@3.604 21036 37955 22930 14660 19554 69526 31451 14858 230466 5909 25804 28966 126782 170710 225200 170985 161094 175019 166653 205143 127666 201460 142640 127501 232788 184656 119752 146868 257706 103916 132616 208921 187036 144859 148109 149444 170006 186975 127297 256132 230663 191053 UNK_1834.7094@10.317 2713 3968 3842 2006 67361 65045 23128 42758 40529 45495 58762 65332 68281 66582 56701 58185 64546 66246 59897 1540 52276 32561 66699 62242 66527 60101 63219 60290 66830 57434 36737 30945 47839 54387 UNK_1839.8405@10.408 1713 40507 28001 19487 14377 39333 62660 UNK_1850.6793@10.313 31249 28304 29484 18434 21187 27461 32558 28994 33027 25504 28322 33193 31513 29040 25377 16242 32873 29463 30918 29917 31024 31292 32688 28126 19394 15858 26665 UNK_188.0143@5.142 77355 52743 81681 62161 48792 69386 75866 195985 94420 83847 298040 154877 443250 62228 79022 114271 2017610 1127033 371624 121084 480392 63263 956354 266709 193373 234842 664546 199704 1208276 564742 1046693 1373522 259534 160687 132174 91789 624140 1027625 375725 185486 291506 200176 714088 182914 127259 659110 UNK_188.0489@0.881 73771 96371 51136 29323 19183 35731 33294 56514 27813 49528 54495 37361 190843 25486 59697 29192 19579 19520 51207 57812 69126 50264 34384 104841 45669 176616 75161 67060 99861 38192 65286 67169 82510 56148 81568 73462 112103 72618 113151 105676 71754 84800 69301 108369 71389 86670 UNK_190.0477@1.351 349083 302857 197102 229068 269764 251646 186437 439149 307307 421001 517397 241985 794852 124444 352691 376110 430080 352758 339912 364162 529481 330213 386594 423706 508594 300430 306307 323552 302783 589704 572033 438134 406270 350786 668540 469049 1131359 913429 684699 844167 518097 369311 420762 723374 339419 409933 UNK_190.0479@0.974 334940 191524 118900 275445 311219 269777 229624 243852 614841 544952 162245 1137416 61368 407873 409456 294011 228202 337231 279465 308969 274125 267217 240462 286510 278755 168044 158813 299736 563678 522498 392702 285733 126383 667071 465097 1406168 1204251 982574 1130591 737972 522224 181599 969726 547735 548243 UNK_192.0268@3.553 30930 31983 21186 49504 59919 74021 70149 37026 48943 78248 58315 37548 241824 18378 44293 56790 244010 197225 291676 303741 272293 348261 228883 264063 220844 226039 262974 216977 165037 243151 232703 252597 276446 137751 190392 215142 121663 73687 94240 88004 81727 78727 88853 74529 76201 86440 UNK_194.0939@15.048 52853 52067 46240 38884 36367 63610 48910 38018 42654 48653 40293 50682 55991 38552 34343 40293 65476 67934 86970 91286 71929 86851 81290 87497 80580 67957 81696 71525 86958 61897 90953 86105 77455 68619 65961 86436 38535 44667 46149 39796 34208 42958 42701 48120 43566 40676 UNK_200.0145@6.716 286091 193829 171457 624924 245616 270365 447016 609509 379248 370457 572718 386461 840228 144858 187647 273587 223586 290645 111101 251496 125200 128037 262971 206582 117957 143965 178812 175164 339544 509440 407016 323224 846859 587516 473412 445617 492432 245257 214202 453949 85226 292518 167074 677854 200135 269381 UNK_202.0302@7.856 2169299 1815004 1212786 2511473 2430819 4348515 2901732 3698410 2936024 4588240 6370193 3026102 18544462 1484058 2288327 4847228 1140570 1140167 668053 963020 798727 1824502 587257 894536 1096210 977693 1008314 454311 706979 1893728 2596429 2083826 9297664 2353646 3167661 2693156 8254330 6676966 7550949 8476017 4534319 7016297 3838925 6016490 5306083 7109493 UNK_202.045@0.991 46907 52443 58383 49974 50876 44813 52547 69931 51255 56221 50927 54755 35774 52411 57479 56708 9864 5705 7259 10422 13405 8068 10368 12837 14973 16849 17253 17597 23629 14355 12569 12920 17197 28564 19551 20542 41432 20521 34954 36163 1707 32203 10464 40107 21336 37301 UNK_204.0092@4.385 39654 22451 11893 42753 49201 51154 41511 56624 46681 58544 92363 40996 179733 20558 47662 53283 117029 55390 31571 19646 86721 55764 62805 47446 22923 28036 68505 19845 53661 88652 64070 80450 148538 62861 83745 87240 120250 66341 78529 81345 40629 30380 35750 42712 35597 62225 UNK_204.0093@3.643 77761 67173 31195 108315 62300 128634 70053 184054 78620 142592 253669 108593 188134 14982 74827 86367 165323 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30210 36612 42925 43791 42841 34741 30928 36851 40934 29384 39333 42597 30941 32221 24909 23988 26276 21453 26034 16675 22880 17290 25459 30507 UNK_984.6186@22.681 2475 2348 1972 3774 2055 2422 8095 6325 10250 5919 7100 3555 3546 3062 1926 3570 3228 4263 2660 3359 2562 3842 3559 1539 2331 2429 2558 2916 4388 4347 3640 4237 3331 3208 3864 3577 UNK_985.5561@25.326 198067 231245 197461 118871 178539 223219 123300 109563 99388 92437 91235 177945 98273 238567 121441 142407 94960 63196 39090 81041 60080 109186 161292 94686 129429 75952 139526 93960 134247 101920 84705 81731 100175 208063 69867 76679 116315 87143 101867 69995 99625 52377 56608 64787 100091 63390 UNK_987.5707@25.728 34679 56386 51135 126009 116741 34653 60674 119981 71952 77035 48874 100552 86606 18194 50130 116712 112406 150316 159395 44054 64963 109126 130098 110776 79093 49345 102810 124469 77319 101708 70978 147868 119671 66341 109138 75148 103434 192135 163422 61564 147941 206153 138239 138022 165887 190693 UNK_988.6397@27.027 178064 131597 40653 134253 98771 96885 153543 79941 114052 193499 231715 198528 107983 43013 134075 106078 165401 163733 179676 190057 148664 145345 224843 164623 165211 189437 146124 211701 145349 144592 200648 161374 82627 74451 134242 153709 189253 218931 218420 129478 138709 137745 138169 198392 202578 225110 UNK_989.4788@22.443 5323 5493 4904 5710 5702 5211 5096 6041 5573 6000 4634 4710 4740 3952 4197 5391 6510 6115 5353 5703 6584 5658 7057 5645 6996 6824 6229 5726 4683 3719 5192 5230 5827 4246 4209 4499 3390 5374 4295 4565 3949 3486 5499 4796 5359 5905 UNK_989.5513@24.819 16689 10701 46792 8140 13250 11354 10615 13976 6904 10016 45088 48542 16050 8710 6099 23424 14415 6285 38253 34036 36147 16274 14303 33104 11891 24321 13055 11374 32427 57823 14744 11366 34013 14434 4447 7106 26789 8118 20553 7425 28187 27148 UNK_989.5599@24.887 17253 13144 34854 31548 23566 29482 42613 36998 36617 27277 45299 53573 12515 40399 54396 19479 13469 23621 10626 19599 7937 31497 36032 21305 19753 21332 18957 25659 22170 23834 46917 34496 30104 46346 28677 20649 7106 23774 17644 20553 19274 16422 27148 13011 UNK_991.5722@25.333 52485 57050 87147 27487 23495 77882 25276 30609 20003 17110 19821 46172 28038 98784 35650 32807 12334 8447 4417 12121 6854 22430 17191 19207 24006 18152 16342 11662 37255 19966 11059 16100 19314 50174 8771 20047 19958 16844 21694 18745 10721 11425 9547 12357 18305 8423 UNK_992.6375@26.203 34019 28915 13995 38936 33381 17549 26256 37958 25499 37748 37668 32614 19263 12887 34499 23124 41667 50618 68284 43972 42132 34804 43274 44771 25705 31875 37758 46673 41821 26574 24740 41824 31167 20322 41914 35419 24531 44233 36222 28269 31030 41646 36165 36021 37690 38424 UNK_994.6572@27.029 94361 72281 26929 91554 49277 28321 40916 28230 91892 64419 61260 61573 29369 19622 57431 84598 126061 113058 101587 93014 77431 73572 115497 87185 89464 95645 73302 114264 48489 69881 107183 77384 57721 69136 78293 65808 105666 68839 107157 114995 102661 62267 109585 67571 99959 109416 UNK_995.6554@24.446 2163 7020 1317 6974 2269 11559 2790 8931 11356 11635 12434 8013 13218 5938 14750 6052 5874 6113 6064 10773 6100 18653 19648 22245 20170 9424 30587 17588 6371 7929 8273 9316 9409 5915 11220 7592 10051 9821 UNK_996.6662@19.382 68867 80825 77238 100366 80590 67822 71351 112644 83021 81497 84110 80568 85757 83167 80771 78187 78468 94030 84115 88309 92228 82199 86332 86517 82558 79983 96374 99066 77861 78099 80000 74169 80056 74482 74564 81285 84129 80177 95728 85454 77618 83193 68075 80446 81866 83650 UNK_996.6678@19.723 794685 768961 790381 830297 788854 765530 728885 865613 814014 799761 829110 786772 770385 798219 808803 807223 830497 839964 858469 837098 861715 818497 864559 833412 820220 824676 839226 883929 777826 844585 817844 812755 794863 823009 813398 820168 846188 792628 855915 833949 828478 828982 776770 798749 816349 842458 UNK_997.5189@22.520 7847 8619 7395 9099 8325 8835 7923 8579 7671 8882 8771 7565 6502 6172 6852 8138 7662 8424 6549 7361 6678 5906 8071 7639 8945 9156 6489 6803 6242 6046 8508 6843 8530 6966 4678 6957 2905 6958 4302 5953 3959 2947 4104 7872 UNK_998.664@22.691 7289 7295 5905 6503 8841 6809 6497 6490 8126 9759 6699 4969 5925 2972 3469 6515 11221 14512 11594 10509 9530 9310 10381 9346 12638 11743 10516 11696 5684 5775 7562 5155 9577 3408 3618 4048 2683 7889 4210 4740 4769 2948 5632 3333 6948 7570 URIC ACID (M-H)- 260273 539073 244823 281920 218616 403046 311416 478705 142451 439939 449723 210132 276511 133214 399318 247484 398252 216096 120744 221695 103440 124448 284050 170796 82302 393043 104376 253582 285698 93417 215536 179312 330496 146880 380123 228184 726306 785291 719908 942893 704179 686080 655039 891119 960820 787115 URIDINE (M+CL)- 640961 1206557 547549 767425 341883 1085090 516522 1688848 548282 1574436 1217547 321326 1451429 241196 727697 550407 1342618 843916 810491 1036656 996206 788690 1073290 434152 1522323 1969152 682159 1411717 393499 520382 535833 1053887 359792 217153 1008299 565161 2180781 2178930 2773109 2003162 2380310 1334352 1771505 2364793 2487710 2014381 URIDINE (M-H)- 33292 63766 32628 117641 52805 50253 86378 81433 42806 80238 64447 86950 25919 54139 36460 89724 61350 48205 69080 56251 57794 51546 17225 93469 117631 32631 85502 137934 134625 91022 129570 63122 40415 44142 171307 96877 214688 123635 137059 61367 94845 108938 112424 134040 URSODIOL (M+HCOO)- 16528 23409 22325 10173 2314 1742 12194 24710 11121 4948 35790 10630 44682 5096 11074 2328 12857 132816 68310 26283 62039 34330 52552 33026 114967 552304 25685 53109 92689 49633 9225 47613 5111 7142 39244 7489 28676 44592 45238 67204 40616 7664 61822 33011 15802 16612 XANTHOSINE (M-H)- 1322 1832 3279 13773 2431 23967 12559 78146 16940 6209 1608 2135 ZEATIN [ISTD] (M+CL)- 100579 147098 133828 136595 140826 118194 131593 179523 144389 136741 115776 135331 169238 110620 102142 133115 188091 219559 224914 232121 191409 250498 215712 230224 210816 206680 214911 214647 236939 188621 243309 213703 222337 192935 170077 229518 148315 157496 178372 146342 132809 150958 162726 163250 164019 164997 ZEATIN [ISTD] (M-H)- 63067 93532 87765 89206 91540 70725 84347 112386 88005 85640 72487 91600 100386 69647 64944 84491 99574 115338 115812 118949 97113 124239 107015 113830 102042 103847 108620 111101 132635 102419 134062 113116 116908 103907 95006 118690 86591 91842 106293 85795 82841 92416 97836 96647 99493 100346 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 16:0 LYSO PC (M+CL)- 495.3335 22.238 460602 16:0 LYSO PC (M+HCOO)- 495.3329 22.233 460602 18:0 LYSO-PE (M-H)- 481.317 22.683 9547068 2-DEOXY-D-GLUCOSE (M+CL)- 164.0683 0.724 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 118.0629 3.406 853180 2-HYDROXYBUTYRIC ACID (M-H)- 104.0474 1.725 11266 3-(2-HYDROXYPHENYL)PROPANOIC ACID (M-H)- 166.0627 7.739 873 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 162.0522 1.578 1662 4-COUMARIC ACID (M-H)- 164.047 6.9 637542 4-HYDROXYBENZOIC ACID (M-H)- 138.0315 4.049 135 4-NITROPHENOL (M-H)- 139.0268 6.963 980 4-PYRIDOXIC ACID (M-H)- 183.053 1.841 6723 5'-METHYLTHIOADENOSINE (M+CL)- 297.0888 4.447 439176 5-VALEROLACTONE (M+HCOO)- 100.0524 1.742 10953 ADENOSINE (M+CL)- 267.0961 1.761 60961 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 347.0613 0.961 6083 ADIPIC ACID (M-H)- 146.0582 3.493 196 ALLANTOIN (M-H)- 158.0435 0.691 439714 ARACHIDIC ACID (M-H)- 312.3031 23.562 10467 ARACHIDONIC ACID (M-H)- 304.2408 22.708 444899 AZELAIC ACID (M-H)- 188.1029 10.615 2266 BEHENIC ACID (M-H)- 340.334 24.043 8215 BENZOIC ACID (M-H)- 122.0365 4.89 243 CHOLIC ACID (2M-H)- 408.2889 20.224 221493 CHOLIC ACID (M-H)- 408.2871 20.323 221493 CIS-11-EICOSENOIC ACID (M-H)- 310.2869 23.243 5282768 CIS-ACONITIC ACID (M-H)- 174.0164 1.461 643757 CITRAMALIC ACID (M-H)- 148.0369 1.38 441696 CITRIC ACID (M-H)- 192.027 1.021 311 CORTICOSTERONE (M+CL)- 346.2145 15.31 5753 CORTICOSTERONE (M+HCOO)- 346.2145 15.312 5753 DEHYDROASCORBIC ACID (M-H)- 174.0161 0.795 440667 DEOXYCHOLIC ACID (2M-H)- 392.2915 21.651 222528 DEOXYCHOLIC ACID (M-H)- 392.2925 21.655 222528 DEOXYURIDINE (M+CL)- 228.0747 1.581 13712 DOCOSAHEXAENOIC ACID (M-H)- 328.2411 22.697 445580 EDTA (M-H)- 292.0903 1.237 6049 ERUCIC ACID (M-H)- 338.3184 23.632 5281116 ETHYLMALONIC ACID (M-H)- 132.042 2.709 11756 GLUCOSE (M+CL)- 180.0635 0.7 5793 GLUTARIC ACID (M-H)- 132.042 2.005 743 GLYCERIC ACID (M-H)- 106.0265 0.806 439194 GLYCOCHOLIC ACID (M-H)- 465.3092 18.748 10140 HEPTADECANOIC ACID (M-H)- 270.2556 23.002 10465 HIPPURIC ACID (M-H)- 179.0582 4.704 464 HYODEOXYCHOLIC ACID (M-H)- 392.2959 22.85 5283820 INDOLE-3-ACETIC ACID (M-H)- 175.0626 8.294 802 INOSINE (M-H)- 268.0809 1.81 6021 KYNURENIC ACID (M-H)- 189.042 4.846 3845 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 206.0843 3.554 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 138.0446 5.263 227 LEUCINE (M-H)- 131.0933 1.504 6106 LEUKOTRIENE B4 (M-H)- 336.2292 20.847 5280492 LIGNOCERIC ACID (M-H)- 368.365 24.676 11197 LINOLEIC ACID (M-H)- 280.2407 22.72 5280450 MALEIC ACID (M-H)- 116.011 1 444266 MALIC ACID (M-H)+[-H2O] 134.0223 0.88 222656 MALIC ACID (M-H)- 134.0214 0.872 222656 MANDELIC ACID #2 (M-H)- 152.0471 8.631 11914 MANDELIC ACID (M-H)- 152.0464 5.588 11914 METHYLMALONIC ACID (M-H)- 118.0265 1.48 487 MEVALONIC ACID (M-H)- 148.0714 1.557 439230 MYRISTIC ACID (M-H)- 228.2089 22.441 11005 MYRISTOLEIC ACID (M-H)- 226.1933 22.064 5281119 N-ACETYL-D-GLUCOSAMINE (M+CL)- 221.0896 0.707 446101 N-ACETYL-L-LEUCINE (M-H)- 173.1047 7.03 75619 NERVONIC ACID (M-H)- 366.3498 24.119 5281120 OLEOYL-GLYCEROL (M+HCOO)- 356.2924 22.713 5319879 OMEGA-HYDROXYDODECANOIC ACID (M-H)- 216.1727 16.93 79034 PALMITIC ACID (M-H)- 256.2408 22.845 985 PALMITOLEIC ACID (M-H)- 254.2247 22.573 445638 PANTOTHENIC ACID (M+CL)- 219.1105 3.193 6613 PANTOTHENIC ACID (M-H)- 219.1107 3.189 6613 PHENYLALANINE (M-H)- 165.0787 2.462 6140 PIMELIC ACID (M-H)- 160.0732 5.569 385 PYRUVIC ACID (M-H)- 88.0164 0.731 1060 SALICYLATE #2 (M-H)- 138.0316 8.112 338 SEBACIC ACID (M-H)- 202.1202 12.846 5192 STEARIC ACID (M-H)- 284.272 23.164 5281 SUBERIC ACID (M-H)- 174.0887 8.126 10457 SUCCINIC ACID (M-H)- 118.0266 1.301 1110 THYMIDINE (M+CL)- 242.0904 2.706 5789 THYMIDINE (M+HCOO)- 242.0901 2.712 5789 TRANS-ACONITIC ACID (M-H)- 174.0163 1.119 444212 TRANS-VACCENIC ACID (M-H)- 282.2566 22.921 5281127 TRICARBALLYLIC ACID (M-H)- 176.032 1.318 14925 TRICARBALLYLIC ACID (M-H)-[-H2O] 176.032 1.327 14925 TRICOSANOIC ACID (M-H)- 354.3499 24.337 17085 TRYPTOPHAN (M-H)- 204.089 3.553 6305 TYROSINE (M-H)- 181.0721 1.338 6057 UNK_101.9412@24.504 101.9412 24.504 UNK_102.0317@0.906 102.0317 0.906 UNK_104.0473@1.481 104.0473 1.481 UNK_112.0165@1.022 112.0165 1.022 UNK_113.9928@24.520 113.9928 24.52 UNK_113.9929@0.881 113.9929 0.881 UNK_1164.5507@7.313 1164.5507 7.313 UNK_118.0266@1.087 118.0266 1.087 UNK_118.0627@2.438 118.0627 2.438 UNK_1184.555@9.557 1184.555 9.557 UNK_120.0418@0.889 120.0418 0.889 UNK_1235.5918@7.479 1235.5918 7.479 UNK_126.0082@0.989 126.0082 0.989 UNK_129.0424@0.894 129.0424 0.894 UNK_131.9513@24.506 131.9513 24.506 UNK_132.042@2.453 132.042 2.453 UNK_132.0784@5.989 132.0784 5.989 UNK_133.9316@24.505 133.9316 24.505 UNK_136.037@0.745 136.037 0.745 UNK_138.0423@0.944 138.0423 0.944 UNK_1394.6606@9.403 1394.6606 9.403 UNK_146.0498@7.622 146.0498 7.622 UNK_148.0365@1.059 148.0365 1.059 UNK_150.0522@0.723 150.0522 0.723 UNK_154.0264@4.223 154.0264 4.223 UNK_162.0527@1.350 162.0527 1.35 UNK_166.0627@6.943 166.0627 6.943 UNK_169.074@2.436 169.074 2.436 UNK_1703.9261@16.206 1703.9261 16.206 UNK_175.9629@19.725 175.9629 19.725 UNK_178.048@0.930 178.048 0.93 UNK_1790.6375@8.414 1790.6375 8.414 UNK_180.0633@0.714 180.0633 0.714 UNK_182.0577@3.604 182.0577 3.604 UNK_1834.7094@10.317 1834.7094 10.317 UNK_1839.8405@10.408 1839.8405 10.408 UNK_1850.6793@10.313 1850.6793 10.313 UNK_188.0143@5.142 188.0143 5.142 UNK_188.0489@0.881 188.0489 0.881 UNK_190.0477@1.351 190.0477 1.351 UNK_190.0479@0.974 190.0479 0.974 UNK_192.0268@3.553 192.0268 3.553 UNK_194.0939@15.048 194.0939 15.048 UNK_200.0145@6.716 200.0145 6.716 UNK_202.0302@7.856 202.0302 7.856 UNK_202.045@0.991 202.045 0.991 UNK_204.0092@4.385 204.0092 4.385 UNK_204.0093@3.643 204.0093 3.643 UNK_206.0426@0.965 206.0426 0.965 UNK_206.0436@1.523 206.0436 1.523 UNK_213.0096@3.508 213.0096 3.508 UNK_213.0101@3.169 213.0101 3.169 UNK_214.0302@9.493 214.0302 9.493 UNK_214.1568@18.005 214.1568 18.005 UNK_216.0398@2.469 216.0398 2.469 UNK_216.0403@1.519 216.0403 1.519 UNK_216.04@3.657 216.04 3.657 UNK_217.9877@2.481 217.9877 2.481 UNK_218.0252@6.931 218.0252 6.931 UNK_219.1107@3.108 219.1107 3.108 UNK_222.954@24.541 222.954 24.541 UNK_226.0191@5.265 226.0191 5.265 UNK_227.941@5.264 227.941 5.264 UNK_230.1517@15.945 230.1517 15.945 UNK_231.0201@3.603 231.0201 3.603 UNK_232.0045@5.693 232.0045 5.693 UNK_233.0662@2.457 233.0662 2.457 UNK_234.1618@19.629 234.1618 19.629 UNK_240.0666@3.549 240.0666 3.549 UNK_240.1717@19.581 240.1717 19.581 UNK_241.0044@3.074 241.0044 3.074 UNK_242.1883@20.751 242.1883 20.751 UNK_243.0192@3.014 243.0192 3.014 UNK_243.0206@5.242 243.0206 5.242 UNK_244.0038@4.522 244.0038 4.522 UNK_246.1214@1.574 246.1214 1.574 UNK_249.0636@4.111 249.0636 4.111 UNK_250.193@22.100 250.193 22.1 UNK_251.1521@21.027 251.1521 21.027 UNK_252.0999@14.438 252.0999 14.438 UNK_254.1153@14.047 254.1153 14.047 UNK_254.1263@3.495 254.1263 3.495 UNK_255.9887@0.790 255.9887 0.79 UNK_258.1835@19.058 258.1835 19.058 UNK_262.0468@3.540 262.0468 3.54 UNK_263.9176@5.263 263.9176 5.263 UNK_265.1677@21.787 265.1677 21.787 UNK_266.1552@20.635 266.1552 20.635 UNK_268.2403@22.765 268.2403 22.765 UNK_270.0527@13.011 270.0527 13.011 UNK_270.0741@4.142 270.0741 4.142 UNK_272.0779@3.553 272.0779 3.553 UNK_272.2345@21.561 272.2345 21.561 UNK_272.2351@22.253 272.2351 22.253 UNK_272.235@21.305 272.235 21.305 UNK_272.235@21.370 272.235 21.37 UNK_274.019@5.262 274.019 5.262 UNK_275.9408@10.711 275.9408 10.711 UNK_276.2087@22.269 276.2087 22.269 UNK_277.0823@1.358 277.0823 1.358 UNK_277.1679@21.428 277.1679 21.428 UNK_284.2714@23.324 284.2714 23.324 UNK_286.2146@21.084 286.2146 21.084 UNK_286.924@1.825 286.924 1.825 UNK_290.9517@2.469 290.9517 2.469 UNK_294.1831@17.277 294.1831 17.277 UNK_294.2556@22.040 294.2556 22.04 UNK_294.255@22.240 294.255 22.24 UNK_296.2352@21.447 296.2352 21.447 UNK_296.2357@22.103 296.2357 22.103 UNK_296.2723@23.104 296.2723 23.104 UNK_298.2506@21.780 298.2506 21.78 UNK_298.2507@22.029 298.2507 22.029 UNK_298.2512@22.214 298.2512 22.214 UNK_298.2868@23.324 298.2868 23.324 UNK_300.0519@5.261 300.0519 5.261 UNK_300.1026@21.733 300.1026 21.733 UNK_300.2662@22.733 300.2662 22.733 UNK_300.2662@22.803 300.2662 22.803 UNK_300.2663@22.071 300.2663 22.071 UNK_301.0252@1.584 301.0252 1.584 UNK_303.9965@5.262 303.9965 5.262 UNK_306.2564@22.848 306.2564 22.848 UNK_309.1054@0.889 309.1054 0.889 UNK_310.1782@17.188 310.1782 17.188 UNK_310.1814@21.530 310.1814 21.53 UNK_310.2141@20.007 310.2141 20.007 UNK_310.2146@20.251 310.2146 20.251 UNK_310.214@21.003 310.214 21.003 UNK_311.1052@1.537 311.1052 1.537 UNK_312.2299@20.027 312.2299 20.027 UNK_314.2454@20.580 314.2454 20.58 UNK_314.246@20.191 314.246 20.191 UNK_314.246@22.013 314.246 22.013 UNK_316.2174@22.719 316.2174 22.719 UNK_316.2405@22.656 316.2405 22.656 UNK_316.2613@21.089 316.2613 21.089 UNK_318.2185@21.264 318.2185 21.264 UNK_319.0372@10.332 319.0372 10.332 UNK_322.0513@9.603 322.0513 9.603 UNK_322.2487@22.345 322.2487 22.345 UNK_322.2843@22.556 322.2843 22.556 UNK_324.2301@20.886 324.2301 20.886 UNK_326.1923@22.556 326.1923 22.556 UNK_326.1929@22.679 326.1929 22.679 UNK_328.2608@22.521 328.2608 22.521 UNK_328.2612@22.269 328.2612 22.269 UNK_329.9629@3.624 329.9629 3.624 UNK_329.963@3.488 329.963 3.488 UNK_330.1827@18.796 330.1827 18.796 UNK_330.2403@17.558 330.2403 17.558 UNK_330.2408@17.394 330.2408 17.394 UNK_330.2562@22.801 330.2562 22.801 UNK_331.103@4.636 331.103 4.636 UNK_332.2562@18.697 332.2562 18.697 UNK_333.1049@3.863 333.1049 3.863 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UNK_817.5781@18.502 817.5781 18.502 UNK_817.5825@25.052 817.5825 25.052 UNK_819.5296@24.436 819.5296 24.436 UNK_819.5955@25.595 819.5955 25.595 UNK_819.6304@24.499 819.6304 24.499 UNK_820.5695@24.008 820.5695 24.008 UNK_822.6388@22.840 822.6388 22.84 UNK_823.5413@24.028 823.5413 24.028 UNK_825.2505@22.017 825.2505 22.017 UNK_825.5524@24.298 825.5524 24.298 UNK_827.4762@22.977 827.4762 22.977 UNK_827.5679@24.425 827.5679 24.425 UNK_827.5696@24.590 827.5696 24.59 UNK_827.6042@22.709 827.6042 22.709 UNK_829.5837@24.822 829.5837 24.822 UNK_829.6667@25.627 829.6667 25.627 UNK_831.2705@22.014 831.2705 22.014 UNK_831.5346@22.684 831.5346 22.684 UNK_831.6006@25.405 831.6006 25.405 UNK_833.2859@22.536 833.2859 22.536 UNK_835.3018@22.802 835.3018 22.802 UNK_835.5374@24.845 835.5374 24.845 UNK_837.502@22.915 837.502 22.915 UNK_837.5517@24.269 837.5517 24.269 UNK_837.5851@24.986 837.5851 24.986 UNK_839.603@25.140 839.603 25.14 UNK_841.5395@24.527 841.5395 24.527 UNK_841.5831@24.941 841.5831 24.941 UNK_841.62@25.921 841.62 25.921 UNK_841.6636@25.468 841.6636 25.468 UNK_842.3778@22.751 842.3778 22.751 UNK_843.6787@26.124 843.6787 26.124 UNK_844.5872@24.976 844.5872 24.976 UNK_844.6669@26.702 844.6669 26.702 UNK_845.5413@24.515 845.5413 24.515 UNK_845.6141@25.919 845.6141 25.919 UNK_845.6518@25.747 845.6518 25.747 UNK_846.4092@22.956 846.4092 22.956 UNK_847.5121@23.677 847.5121 23.677 UNK_848.6556@27.027 848.6556 27.027 UNK_849.2431@22.036 849.2431 22.036 UNK_849.5977@26.337 849.5977 26.337 UNK_850.2139@8.434 850.2139 8.434 UNK_850.4413@23.167 850.4413 23.167 UNK_851.5681@24.335 851.5681 24.335 UNK_851.5698@24.523 851.5698 24.523 UNK_851.6024@22.707 851.6024 22.707 UNK_852.4255@22.943 852.4255 22.943 UNK_853.5835@24.743 853.5835 24.743 UNK_853.6211@22.805 853.6211 22.805 UNK_855.2665@22.055 855.2665 22.055 UNK_855.601@25.282 855.601 25.282 UNK_855.6744@25.741 855.6744 25.741 UNK_856.4598@23.164 856.4598 23.164 UNK_857.6154@25.724 857.6154 25.724 UNK_858.2346@9.549 858.2346 9.549 UNK_858.5281@24.514 858.5281 24.514 UNK_858.6831@27.025 858.6831 27.025 UNK_859.6331@26.384 859.6331 26.384 UNK_860.1994@8.426 860.1994 8.426 UNK_863.595@25.067 863.595 25.067 UNK_865.5831@24.850 865.5831 24.85 UNK_867.5953@24.535 867.5953 24.535 UNK_867.5966@25.087 867.5966 25.087 UNK_869.24@22.242 869.24 22.242 UNK_869.5074@22.691 869.5074 22.691 UNK_869.5375@24.268 869.5375 24.268 UNK_869.5379@24.328 869.5379 24.328 UNK_869.5718@25.201 869.5718 25.201 UNK_869.612@25.635 869.612 25.635 UNK_869.6134@25.764 869.6134 25.764 UNK_871.5537@24.736 871.5537 24.736 UNK_873.5501@23.995 873.5501 23.995 UNK_874.5498@21.557 874.5498 21.557 UNK_874.6533@22.851 874.6533 22.851 UNK_875.2545@22.286 875.2545 22.286 UNK_876.286@3.557 876.286 3.557 UNK_877.5775@24.520 877.5775 24.52 UNK_877.5836@24.630 877.5836 24.63 UNK_878.5314@24.354 878.5314 24.354 UNK_878.6671@22.726 878.6671 22.726 UNK_879.5843@20.194 879.5843 20.194 UNK_879.5959@24.891 879.5959 24.891 UNK_879.6008@25.197 879.6008 25.197 UNK_88.016@0.961 88.016 0.961 UNK_88.0527@2.439 88.0527 2.439 UNK_881.5324@24.333 881.5324 24.333 UNK_881.6141@25.494 881.6141 25.494 UNK_882.5336@23.992 882.5336 23.992 UNK_883.6303@26.020 883.6303 26.02 UNK_885.5672@25.056 885.5672 25.056 UNK_891.5231@24.039 891.5231 24.039 UNK_891.5299@25.134 891.5299 25.134 UNK_891.5709@26.055 891.5709 26.055 UNK_893.2371@22.013 893.2371 22.013 UNK_893.5215@22.679 893.5215 22.679 UNK_893.5384@24.297 893.5384 24.297 UNK_893.5424@24.217 893.5424 24.217 UNK_893.6121@25.643 893.6121 25.643 UNK_896.5088@18.302 896.5088 18.302 UNK_896.6374@22.726 896.6374 22.726 UNK_899.2553@22.011 899.2553 22.011 UNK_899.5867@25.460 899.5867 25.46 UNK_90.0319@0.884 90.0319 0.884 UNK_90.0322@0.997 90.0322 0.997 UNK_902.6652@22.716 902.6652 22.716 UNK_906.5644@24.980 906.5644 24.98 UNK_907.6101@25.648 907.6101 25.648 UNK_907.6189@25.808 907.6189 25.808 UNK_909.5614@22.858 909.5614 22.858 UNK_909.5657@24.945 909.5657 24.945 UNK_911.5063@24.248 911.5063 24.248 UNK_911.509@24.172 911.509 24.172 UNK_912.2078@8.434 912.2078 8.434 UNK_912.5684@24.976 912.5684 24.976 UNK_912.651@26.702 912.651 26.702 UNK_913.5145@24.438 913.5145 24.438 UNK_913.5178@24.581 913.5178 24.581 UNK_914.3972@22.964 914.3972 22.964 UNK_914.591@23.180 914.591 23.18 UNK_915.5282@24.829 915.5282 24.829 UNK_915.5774@22.862 915.5774 22.862 UNK_916.6052@23.213 916.6052 23.213 UNK_917.5377@24.109 917.5377 24.109 UNK_917.6309@24.526 917.6309 24.526 UNK_919.5477@24.334 919.5477 24.334 UNK_919.556@24.514 919.556 24.514 UNK_919.561@26.057 919.561 26.057 UNK_920.6333@22.718 920.6333 22.718 UNK_921.5675@24.758 921.5675 24.758 UNK_923.5866@25.323 923.5866 25.323 UNK_923.6374@22.719 923.6374 22.719 UNK_923.6517@25.747 923.6517 25.747 UNK_925.6014@25.727 925.6014 25.727 UNK_926.6637@22.707 926.6637 22.707 UNK_926.6701@27.024 926.6701 27.024 UNK_929.4943@24.097 929.4943 24.097 UNK_929.5324@22.513 929.5324 22.513 UNK_929.626@26.133 929.626 26.133 UNK_931.5099@24.269 931.5099 24.269 UNK_931.5115@24.320 931.5115 24.32 UNK_933.5259@24.740 933.5259 24.74 UNK_933.5624@22.726 933.5624 22.726 UNK_935.5039@24.097 935.5039 24.097 UNK_935.579@22.904 935.579 22.904 UNK_937.513@24.523 937.513 24.523 UNK_937.5172@24.267 937.5172 24.267 UNK_937.5908@25.776 937.5908 25.776 UNK_939.5388@24.757 939.5388 24.757 UNK_939.5784@22.727 939.5784 22.727 UNK_941.546@25.312 941.546 25.312 UNK_941.5567@25.119 941.5567 25.119 UNK_941.62@25.750 941.62 25.75 UNK_941.7081@22.853 941.7081 22.853 UNK_942.6354@22.714 942.6354 22.714 UNK_943.7003@22.853 943.7003 22.853 UNK_944.6278@27.028 944.6278 27.028 UNK_945.5702@24.627 945.5702 24.627 UNK_946.4974@9.288 946.4974 9.288 UNK_946.5171@24.361 946.5171 24.361 UNK_947.5498@25.058 947.5498 25.058 UNK_947.5862@25.205 947.5862 25.205 UNK_948.6173@22.267 948.6173 22.267 UNK_950.5226@23.997 950.5226 23.997 UNK_951.6107@26.013 951.6107 26.013 UNK_952.5826@23.216 952.5826 23.216 UNK_953.5309@22.498 953.5309 22.498 UNK_955.511@24.281 955.511 24.281 UNK_957.6866@22.854 957.6866 22.854 UNK_960.6895@19.722 960.6895 19.722 UNK_961.5249@24.280 961.5249 24.28 UNK_961.5566@25.465 961.5566 25.465 UNK_963.5376@24.436 963.5376 24.436 UNK_963.5421@24.619 963.5421 24.619 UNK_963.6011@22.714 963.6011 22.714 UNK_965.5447@25.201 965.5447 25.201 UNK_967.5708@25.504 967.5708 25.504 UNK_968.5139@20.237 968.5139 20.237 UNK_971.5372@24.949 971.5372 24.949 UNK_973.4893@24.171 973.4893 24.171 UNK_974.5408@24.981 974.5408 24.981 UNK_974.6253@26.699 974.6253 26.699 UNK_977.5215@25.067 977.5215 25.067 UNK_977.5492@22.870 977.5492 22.87 UNK_981.5231@24.332 981.5231 24.332 UNK_981.5244@24.512 981.5244 24.512 UNK_983.5382@24.760 983.5382 24.76 UNK_984.6186@22.681 984.6186 22.681 UNK_985.5561@25.326 985.5561 25.326 UNK_987.5707@25.728 987.5707 25.728 UNK_988.6397@27.027 988.6397 27.027 UNK_989.4788@22.443 989.4788 22.443 UNK_989.5513@24.819 989.5513 24.819 UNK_989.5599@24.887 989.5599 24.887 UNK_991.5722@25.333 991.5722 25.333 UNK_992.6375@26.203 992.6375 26.203 UNK_994.6572@27.029 994.6572 27.029 UNK_995.6554@24.446 995.6554 24.446 UNK_996.6662@19.382 996.6662 19.382 UNK_996.6678@19.723 996.6678 19.723 UNK_997.5189@22.520 997.5189 22.52 UNK_998.664@22.691 998.664 22.691 URIC ACID (M-H)- 168.0281 1.027 1175 URIDINE (M+CL)- 244.0699 1.346 6029 URIDINE (M-H)- 244.0695 1.371 6029 URSODIOL (M+HCOO)- 392.292 21.635 31401 XANTHOSINE (M-H)- 284.0766 2.259 64959 ZEATIN [ISTD] (M+CL)- 219.112 3.865 449093 ZEATIN [ISTD] (M-H)- 219.112 3.867 449093