metabolite_name S00025568 S00025569 S00025570 S00025571 S00025572 S00025573 S00025574 S00025575 S00025576 S00025577 S00025578 S00025579 S00025580 S00025581 1-METHYLADENOSINE (M+CL)- 3872 2499 3015 2947 2144 1786 1787 2444 2302 1-METHYLURIC ACID (2M-H)- 9819 11239 7712 7808 3108 2381 1-METHYLURIC ACID (M-H)- 129094 42829 38625 8843 161686 133950 147326 76583 170951 48423 54422 58104 1-METHYLXANTHINE (M-H)- 631267 21161 23443 3308 5955 557084 579198 206031 733189 30207 242052 350362 842843 16:0 LYSO PC (M+CL)- 19749 16453 15840 19226 14497 36465 36050 15435 12895 44690 43905 46589 19818 18648 16:0-18:0 PC (M+CL)- 14442 14343 8900 12063 20505 15892 14135 16354 14534 14983 11957 12357 16924 8639 18:0 LYSO-PE (M-H)- 8999959 867050 751180 380849 730637 810238 1067215 2-DEOXY-D-GLUCOSE (M+CL)- 21682 8620 1963 4751 57869 3396 654 28881 7220 12084 26925 1718 786 92130 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 531198 587132 581085 1130087 360160 502943 347589 489833 3083399 630243 205398 710508 648551 581538 2-HYDROXYBUTYRIC ACID (M-H)- 139521 168868 266789 627523 172239 296726 113288 425289 255107 143411 239986 293085 424885 111010 2-METHYLMALEIC ACID (M-H)- 21156 12706 32519 24777 5186 42511 14868 22635 66594 24886 11904 11361 24:0 SM (D18:1/24:0) (M+CL)- 1273412 1552542 2397635 6911213 195694 204665 196240 207046 238209 262146 391113 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 22305 37350 15869 11511 15655 21974 17858 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 200077 171266 297243 366565 92772 370238 297637 444348 270346 339148 204748 334996 185814 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 2105333 3213327 3407324 4225698 3799366 3264361 2166137 2663969 3344586 1759509 3905035 3292590 2835154 1843412 3-METHYLXANTHINE (M-H)- 630824 99007 158228 204598 1111 556833 578913 169363 732981 61554 241973 350258 842255 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 2688757 4733050 4860324 5959610 4978358 4117889 2889528 4370131 3658898 2372537 5523247 4574641 4688088 2925346 4-PYRIDOXIC ACID (M-H)- 167092 69933 80108 288866 347341 64290 333651 77543 97634 108179 443475 306942 192568 85236 5-HYDROXY OMEPRAZOLE (M-H)- 42987 23358 ACETAMINOPHEN (TN TYLENOL) (M-H)- 51715 ADIPIC ACID (M-H)- 39243 29204 37746 62654 25509 36339 90209 33125 37034 26315 104893 25805 49769 39165 ARACHIDONIC ACID (M-H)- 1783818 2050652 21653312 254586704 1609570 311928 225535 259771 394915 339114 1212459 554227 AZELAIC ACID (M-H)- 13890 13634 13176 18145 16694 335392 11609 12379 27307 12547 28889 17421 12661 11664 CHOLIC ACID (M-H)- 6062 3983 2308 37344 25220 24840 1710 CIS-11-EICOSENOIC ACID (M-H)- 19411 22074 97920 86737 76552 33219 16510 3023 1032 1587 4105 3179 12782 8518 CITRAMALIC ACID (M-H)- 95801 45863 26497 81590 42308 147161 32425 56812 35912 202448 62185 43113 28359 CITRIC ACID (M-H)- 2235964 1887933 1810542 1759606 1685619 40983 2223393 1778230 2367852 3725230 3504557 3023461 3314008 2752488 CORTISOL (M+CL)- 78426 49128 30619 50354 29111 81860 16736 30610 53510 24979 25375 64253 41710 30233 CORTISONE (M+CL)- 20064 24424 10980 11624 16768 27036 15891 35050 10185 7160 18073 12566 15343 DEHYDROEPIANDROSTERONE SULFATE (M-H)- 517676 790904 1521235 1635875 428340 1921093 76111 465548 241755 572063 79107 267842 714839 1030372 DEOXYADENOSINE (M+CL)- 13522 21132 25953 45976 13846 21209 10024 37231 22085 19866 13391 30769 36463 14378 DEOXYCHOLIC ACID (2M-H)- 3454 1897 1680 1968 6269 2889 2733 DEOXYCHOLIC ACID (M+CL)- 18561 13022 1346 12197 5714 6710 13120 25823 6194 5276 2704 16919 6949 18636 DEOXYCHOLIC ACID (M-H)- 48555 35473 3180 33321 18321 20621 35422 69049 17311 15343 6621 46404 19163 46552 DEOXYURIDINE (M+CL)- 44825 87221 51099 71526 111668 153950 102650 80462 60446 54689 76264 75334 87024 73631 DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)- 35638 25212 22084 95561 27117 19652 42333 17409 13189 19218 21239 18778 22356 36550 DOCOSAHEXAENOIC ACID (M-H)- 1881438 3325228 3495245 790045 261226 569331 402559 364191 1156002 418444 EPIBRASSINOLIDE [ISTD] (M+CL)- 406901 388915 448948 444477 432900 393048 420025 384164 371205 394047 390628 379730 394709 400629 GALACTARIC ACID (M-H)- 7590 10435 9471 10192 9985 10330 GLUCONIC ACID (M-H)- 5223 4451 5107 4065 3962 2678 2963 4968 9023 5217 2012 9515 5934 6911 GLUCOSE (M+CL)- 591315 722689 831843 676231 685356 1231678 370314 666707 701284 746681 232309 669312 708559 767110 GLYCOCHOLIC ACID (M-H)- 11924 11735 20944 5802 12218 14689 11741 14702 16687 10998 1213 34259 38809 256524 HIPPURIC ACID (M-H)- 140384 79530 41141 22778 256113 54534 194965 311531 2719288 117274 266015 189693 57697 24716 HYODEOXYCHOLIC ACID (M-H)- 190518 88086 275784 272228 247116 193196 134941 80647 28294 55983 73154 56928 114084 113781 IBUPROFEN (M-H)- 36323 382483 14263 IBUPROFEN CARBOXYLIC ACID (M-H)- 1689 5032 206531 457492 58954 ISOCITRIC ACID (M-H)- 19435742 103716248 59247456 26541320 17417600 9652640 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 51573 72430 71761 69079 69380 61057 50826 57529 44660 69506 75161 63580 73541 68163 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 69023 72345 70215 65769 65223 56681 57241 83673 96352 84762 91958 89820 81808 74400 LINOLEIC ACID (M-H)- 830606 519891 1421896 793276 795705 262255 200027 95495 82386 56339 151683 158794 302100 226628 MALIC ACID (M-H)- 138658 82394 90200 74548 70942 4532 67848 55349 75169 58119 28022 63525 83983 66943 METHYLMALONIC ACID (M-H)- 67455 56036 53364 73019 97667 23978 56098 80602 23692 59494 72024 66054 66302 86328 MYRISTIC ACID (M-H)- 36591 63636 505176 73748 24949 7723 1701 3926 6846 5478 17353 19011 MYRISTOLEIC ACID (M-H)- 1918 2001 3094 2014 1568 3767 7132 31493 13483 13132 8299 N-ACETYL-D-GLUCOSAMINE (M+CL)- 6480 8840 17981 7847 10464 32837 2374 15024 6609 10309 10160 N-ACETYL-L-ALANINE (M-H)- 209869 188103 219346 209348 174931 222261 156608 222257 138631 170127 184084 173354 302722 113873 NERVONIC ACID (M-H)- 20571 89467 1730 1082 1157 2397 2099 4491 4119 OLEIC ACID (M-H)- 1518948 1209034 5387791 3386292 1951407 898190 682608 113297 33475 94771 256132 175677 503026 403031 OXALOACETIC ACID (M-H)-[-H2O] 16429 15714 17312 18398 19399 44665 25697 8759 18560 17653 8891 12963 4611 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- 10630 698544 PALMITIC ACID (M-H)- 121373 114025 336483 178393 128595 61486 49106 7990 3270 11250 19879 14019 45233 46227 PALMITOLEIC ACID (M-H)- 353072 300695 380849 133651 23179 3037 13922 40435 23347 101682 91116 PANTOTHENIC ACID (M-H)- 17066 10374 9300 38081 16736 15371 18286 6002 12408 47828 32867 25777 11182 PHENYLALANINE (M-H)- 335078 692295 538395 546238 609374 640282 293989 458618 414414 251646 47272 346564 459906 348554 PHENYLPYRUVIC ACID (M-H)- 5857 8148 9494 3801 4941 1179 1137 1171 396 1395 PYRUVIC ACID (M-H)- 3958 49635 39049 72750 41843 18195 14403 110183 20380 7044 4024 23978 RIBITOL (M+CL)- 185200 161770 212759 187621 165682 169178 163375 145930 136169 160085 191896 101850 156611 147762 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 4231 4507 3849 5721 7847 5954 2305 4359 1800 7060 8702 4505 2936 SALICYLATE #2 (M-H)- 18203 148846 29103 8925 709408 87666 87379 2945322 17580 788517 24754 16122 19251 149877 SALICYLURIC ACID (M-H)- 5761 46661 4149 5710 137536 38933 4401 STEARIC ACID (M-H)- 184770 221712 761736 638477 537921 132257 63785 22675 12094 15913 23998 23395 60934 56284 SUCCINIC ACID (M-H)- 184935 161248 193229 183170 162076 161489 92912 143442 183079 151425 184026 74065 153470 143824 SUCROSE (M+CL)- 3622 2647 4962 2520 2997 1944 4347 4006 4378 3232 3352 SULFADIMETHOXINE (M-H)- 17795 23709 18744 15219 16622 13298 12894 12903 11443 13800 16462 11658 6837 7632 THEOPHYLLINE (M-H)- 50973 12300 33191 2188 5488 41004 62688 98418 209694 90285 59087 188373 92317 THYROXINE (M-H)- 5772 3682 4404 3890 3811 3109 5569 3923 3986 4130 5818 3555 5171 3591 TRANS-ACONITIC ACID (M-H)- 875042 859600 916636 1780286 1190335 3391714 1957160 2622574 1203703 3515377 1568590 1928719 968275 TRYPTOPHAN (2M-H)- 55323 157842 104346 113159 169031 130361 67289 102225 50147 113644 110041 90423 105663 105018 TRYPTOPHAN (M-H)- 336127 739039 555471 567397 749637 617223 380630 539977 313116 611914 599029 513459 571262 564685 TYROSINE (M-H)- 32185 61969 32419 22934 52503 48167 18119 40419 35489 38974 16983 39030 29659 41342 UNK_101.9412@22.590 436926 2476511 11406949 101339 188264 189301 216842 UNK_104.0475@1.559 17884 36129 121656 334246 111156 150341 39565 76516 78408 50600 552820 112279 217146 67313 UNK_112.0157@0.777 397375 35367 55369 32826 8886 56388 75678 68526 UNK_113.9929@22.924 36048 20912 53452 15674 11502 11830 24059 18017 7697 20696 44834 13606 45852 36996 UNK_116.0472@2.291 621992 848348 868382 1176045 979212 881605 541681 836142 866432 631013 870390 990316 937452 805609 UNK_117.9354@23.187 824383 328312 191212 121568 195380 219045 297271 UNK_117.9356@22.701 76390 145541 274545 209335 233622 205695 140820 64098 66765 42057 81661 100806 78706 77035 UNK_117.9356@22.922 461126 380566 665764 622045 574705 433851 358513 189432 103303 127388 173952 179980 261738 265203 UNK_117.9357@22.782 245064 353497 463884 614774 1089644 710434 1350268 1017052 641440 336528 553597 381512 381037 340332 UNK_117.9358@22.842 398440 366430 637546 787980 781686 561245 415043 221912 141981 174451 184989 202426 280814 214556 UNK_118.0263@1.111 68932 92421 112372 133589 125416 76312 147946 89262 77458 93533 94495 58468 66876 45748 UNK_118.0628@2.511 68331 97097 125680 190685 94560 76377 60130 162860 144421 51479 57284 85618 113821 69242 UNK_120.0414@0.900 23508 16961 36971 71053 19670 36294 7356 32667 15685 3662 12525 16087 24479 14646 UNK_121.0197@1.530 43663 75804 99808 64202 61849 75783 39986 48129 51187 37857 57784 65454 68459 46300 UNK_1237.4915@12.149 103581 UNK_1245.6018@10.509 63266 1203 UNK_1259.4738@12.150 57515 UNK_1267.5865@10.493 43272 1013 UNK_1281.4521@12.137 24258 UNK_130.0264@0.897 468708 327709 408139 422922 435978 15141 527403 198881 371975 224814 448293 304590 433374 295731 UNK_131.0577@1.260 52840 47737 62255 62975 85112 53921 81782 UNK_131.9512@24.677 129082 108535 89203 62743 101072 110460 100451 150494 302176 214707 295506 183089 270758 195058 UNK_131.9514@22.747 186505 152870 291100 306298 139793 162300 150851 160361 148223 144999 216024 163453 99249 282346 UNK_132.0418@2.492 72584 58217 98740 91136 94669 44442 123857 179348 286682 185442 162437 182723 101380 86850 UNK_136.0369@0.649 44417 40802 79744 61742 46557 178849 34366 39221 16816 97974 12115 43669 65117 75358 UNK_1395.5605@12.101 534868 42166 22940 UNK_1417.5417@12.108 197687 22389 13607 UNK_1433.5074@12.105 27477 4200 1666 UNK_1439.5192@12.097 17395 10239 UNK_144.0516@1.526 41657 44507 44461 38479 64633 24343 48827 33051 36280 35404 78050 71566 47427 32932 UNK_1448.4696@12.099 89632 10687 3836 UNK_145.9305@22.599 225690 216401 132452 108460 130439 174055 139654 252553 131346 269938 225945 UNK_146.0572@1.068 2204 5275 12650 7114 6717 13760 22761 96496 26973 25017 19329 UNK_146.0576@1.398 72066 380553 UNK_146.0579@2.077 43971 30731 14847 45623 33100 102050 11219 12971 20383 17756 6015 41979 20480 22862 UNK_146.05@7.693 51827 43875 48676 51771 53378 43729 63222 52313 49095 51125 53281 52655 50791 56874 UNK_1464.6497@9.431 222236 36830 33794 UNK_1470.452@12.109 38595 5563 3728 UNK_1486.6346@9.434 159306 30073 21361 UNK_1502.5977@9.444 18310 4739 3558 UNK_1508.6139@9.434 22520 16678 UNK_151.0624@2.486 5347 65077 UNK_152.0328@1.360 102727 213779 123236 79572 167365 249923 51975 129109 8786682 48619 UNK_152.0472@7.535 18000 95832 19853 52223 36899 10849 80050 UNK_1535.6873@9.126 7840 29360 16499 UNK_154.0264@4.612 230709 102514 667857 442216 119207 87889 831312 64469 179478 168209 88010 188886 92482 122101 UNK_1557.6696@9.127 6160 25163 14285 UNK_1579.6486@9.127 3006 9859 7261 UNK_158.094@12.264 27898 40603 30484 15873 35683 60771 30906 20884 73828 22530 24659 36698 18622 48088 UNK_160.0731@3.613 11113 14203 27817 57304 15183 39243 27965 10368 11859 14571 18589 38666 10116 UNK_160.1096@11.774 27707 8789 22293 20088 10393 11810 9107 11855 23598 23821 17412 18059 24124 9006 UNK_161.0513@1.850 3813097 4280183 5985563 4761232 3913008 3823955 4408232 3716747 4806617 3329037 3842476 5063793 4405299 4180580 UNK_162.1408@18.953 14144 138760 5966 UNK_166.0629@7.106 16189 19562 16541 20655 26479 34326 18491 21840 41034 17455 13720 22156 9862 26708 UNK_169.9966@5.812 254022 269722 279952 265828 266540 239010 220499 189001 233977 171378 141452 204732 158963 205521 UNK_173.9987@3.519 97974 139145 21686 36433 49974 110517 27973 104154 6060 UNK_173.9989@3.157 6015190 7581040 986154 474297 1321565 1593195 6720037 268406 808920 1010484 296742 3047564 614799 51457 UNK_174.0163@0.901 2098812 1472596 1937646 1946727 1887408 54235 2539793 1580779 2814087 1748105 3133024 2340227 2499531 1571523 UNK_176.032@0.931 133057 165382 28233 80395 185260 40613 180880 1423698 UNK_178.0406@2.464 79826 140009 134686 98527 173538 101092 114570 95054 135117 72521 27837 160359 125413 104797 UNK_178.041@1.526 219387 539438 435671 239724 656551 172596 447047 385513 345071 432613 938645 736919 539183 521147 UNK_178.1358@13.128 1534 53432 107123 60510 UNK_180.0601@2.465 39409 35805 34483 74808 58878 80240 31076 37615 52639 15952 45328 23121 20567 UNK_180.0632@0.664 14580 10649 18218 11747 18074 16993 10329 13999 14586 16492 4236 16620 16583 24497 UNK_182.9989@3.251 1840 4660 11652 29599 269831 23478 12903 UNK_188.0146@5.582 6539297 1975974 13405364 3625438 5828772 15590170 15792443 18197652 14133162 24851532 20308500 35353384 12487941 2043921 UNK_188.0214@4.428 50393 64707 70796 77215 79064 63998 54006 54160 66870 52180 75239 65496 61176 45003 UNK_188.0353@1.849 89724 105149 165158 197812 220878 76150 146335 181496 86639 166054 274694 168782 299341 113095 UNK_188.0496@0.844 59240 62848 38755 46500 67373 70115 71273 21483 20146 25353 25094 33677 32841 40762 UNK_188.1411@16.400 22877 9234 24710 28617 9153 17008 10889 12839 13082 14650 14364 15376 31746 9792 UNK_189.994@2.557 751490 397207 470828 116919 1019379 393159 179280 952309 510165 177499 520456 286405 574957 739770 UNK_190.0476@1.372 448671 190690 430521 523683 353663 264562 529778 354025 143434 442523 538412 601554 446076 271778 UNK_190.048@1.000 66408 10641 55879 39862 29828 78259 21991 21624 54827 62445 44566 40904 UNK_190.0836@3.583 4253 8339 7224 5670 3416 108714 7677 7297 17336 4440 6771 6160 4813 8270 UNK_192.115@13.104 123978 236656 40841 UNK_192.8677@22.916 100350 185564 119150 32535 283049 113652 36309 30473 133821 101803 87949 85656 61833 89116 UNK_192.8677@23.198 194376 193072 194425 108576 145289 111916 121665 82064 117169 64418 107321 84404 104647 129774 UNK_192.8678@22.742 47817 50640 65697 27283 46424 36632 53098 73808 66913 83346 76821 116917 62348 UNK_196.0031@5.335 56710 62262 57447 51400 55190 35003 45477 41171 49744 47060 52315 40534 52148 56956 UNK_196.8183@3.157 872304 1119555 45210 24350 62810 102034 917726 107342 50767 136728 466721 13226 UNK_196.8184@4.833 209370 236310 251711 258347 292115 206537 224585 228255 604151 148666 218161 179537 199345 164077 UNK_197.0278@1.837 381163 395675 468008 421962 352952 330539 443146 397251 437350 392656 423811 446322 417945 410354 UNK_198.05@4.435 25564 30985 31112 31283 31698 28963 26591 29013 36729 29979 38486 36038 34492 26969 UNK_198.0746@1.526 747732 235074 298388 164225 623208 949641 248041 463004 498456 494841 632958 1118000 UNK_198.0749@2.403 81164 32341 31060 3220 34720 95936 138069 97692 10289 41787 90176 130650 UNK_198.0887@9.382 7349 9793 32285 22080 9093 7373 13182 16080 12645 6207 16882 9566 25109 15282 UNK_200.0145@7.230 196299 294091 46690 86435 454210 79140 62754 61357 264134 31291 6771 76427 23671 48804 UNK_200.0327@3.527 21097 12947 12906 14303 14264 7362 10451 19242 2827 38365 25840 49525 37298 UNK_201.0556@2.468 40232 30919 30530 35972 32436 20060 30995 27049 20696 25273 32493 22002 UNK_202.03@8.427 4328 12972 7794 72724 14917 23432 12622 33411 76900 314308 17746 18764 UNK_204.0091@5.173 25262 6328 11820 54954 8510 6392 46927 13549 11786 166690 25023 33475 UNK_204.0094@4.759 272130 50953 197762 89949 71772 156762 225474 440526 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UNK_919.5553@24.244 8546 13923 5929 11381 6353 18474 5241 37672 78876 82206 74540 63840 31640 15489 UNK_919.5663@25.647 21291 10962 7003 13166 18717 15204 28076 36647 48049 38025 36534 70415 41221 45442 UNK_920.2349@0.735 116893 177247 117806 148981 176734 83231 189550 179280 145154 50081 165237 145954 UNK_920.6353@22.714 18640 13241 23690 12109 12572 9929 12456 13799 8339 9264 15149 9720 22642 19696 UNK_921.5697@24.486 6544 9875 8956 6679 4149 15505 5450 66570 UNK_921.682@27.316 13765881 3156273 1618392 999141 UNK_922.5265@24.190 2685 2919 3926 2812 1771 7806 2952 9492 6051 10852 15804 4559 10041 2845 UNK_923.5751@24.727 6113 6121 3956 3308 3536 3230 125426 122438 20375 UNK_923.5852@24.955 5203 7952 3181 4452 3128 4474 3733 UNK_923.6976@28.567 2664831 1878027 UNK_924.5003@23.644 1681 1255 923 1356 683 2388 2046 3641 2747 3958 3340 1906 3275 1131 UNK_924.6538@25.788 166295 139554 140948 160491 109748 169916 105380 314998 328084 376739 434083 306619 331589 224433 UNK_925.5253@22.580 36219 35987 84389 146733 1137290 2708746 32983 5722 21189 12965 18853 25381 25131 UNK_925.6003@25.295 52675 49349 52434 84867 65913 85407 88175 184537 249494 316209 257123 267467 116035 197717 UNK_926.6707@26.776 170813 589353 611510 231852 490313 533933 472950 421875 372581 355581 58543 465794 399593 547637 UNK_927.5767@25.554 5824 8925 6953 3218 8346 6316 6615 270399 UNK_927.6201@25.932 281498 286772 188543 251820 545438 587282 564421 500765 430117 200957 329711 186460 293423 UNK_928.6864@27.840 1724577 883475 5070631 40507560 4395946 1300565 1280319 996182 913617 933426 674971 1000295 UNK_930.6126@26.158 156540 126024 139765 161873 283384 227207 196259 212067 261489 90737 211948 297999 155972 239212 UNK_932.6305@27.065 189144 232799 228423 276552 357831 286887 276446 174752 167106 176800 133873 165043 154674 184225 UNK_932.6581@22.910 74589 15291 42341 69817 20103 28973 14266 19621 5511 13461 38453 13092 UNK_933.6323@23.819 12397 16392 38202 20705 44812 59137 20514 4238 2502 3957 7441 3885 8503 6991 UNK_934.5998@25.456 18901 40984 33916 25408 10116 27676 44218 27654 39908 17012 UNK_934.6656@22.843 72680 52705 106570 89016 74804 77555 45477 56538 16555 1854 32971 47412 UNK_934.69@23.180 37754 46362 79101 135556 455684 424219 82204 13006 9248 11029 5307 15461 9159 15879 UNK_935.5066@23.878 7790 8214 5780 8475 5499 6469 6811 7949 6509 10250 8170 8193 9241 6663 UNK_936.2081@0.746 13838 18359 11348 15076 22697 53625 21795 24165 18106 86758 21987 19332 15951 UNK_936.4596@23.637 7081 7040 2833 5823 5107 8322 7542 10084 11484 13384 15452 12717 12475 5370 UNK_937.513@24.165 2351 2669 3772 3632 1861 3953 2784 UNK_937.5146@24.257 6230 7062 4753 2925 5271 8878 3669 9955 11088 7658 8578 6607 4774 4308 UNK_937.6386@26.706 40208 64416 185558 296227 1091583 31587882 551107 13270 19244 21076 21275 12667 19226 18560 UNK_938.6622@26.265 28432 26710 54803 47999 41964 59500 19276 8804 8370 11281 23725 14569 26047 17008 UNK_939.5302@24.492 5652 6258 9482 11731 3793 13331 8777 5122 4575 9094 10919 4531 11748 9527 UNK_940.6849@26.943 55519 92717 147998 112435 117497 65928 70732 66287 70734 81461 128029 84670 222733 76251 UNK_941.5439@24.961 4094 3028 3259 3346 2538 3836 2032 UNK_942.2164@0.741 54634 64472 47712 55435 63112 65849 61498 69438 59532 42796 63753 60395 57604 UNK_942.6132@25.778 73557 59029 85464 68807 69990 86295 58604 76219 84262 87872 112482 73470 109732 72016 UNK_942.7003@28.442 125447 277649 1185682 455035 219289 100091 UNK_943.5619@25.307 50116 48682 25885 39650 46849 46895 48031 70974 70036 85860 62094 76426 74689 67706 UNK_943.6432@27.245 219361 1722466 86660 36703 28737 23966 19323 23710 60263 86724 UNK_944.5046@23.726 327 1454 398 876 667 314 1198 123878 UNK_944.6443@22.707 26224 22170 41640 54254 44888 27934 21212 12642 8689 10316 14524 6436 24895 11635 UNK_945.6615@22.926 11425 11201 14686 8255 9815 5538 7287 6973 4955 5809 8669 4235 10159 UNK_946.648@27.825 456609 629028 6096309 2272124 329290 304628 215645 203632 176268 151157 265850 UNK_947.5785@23.369 18933 37053 50031 33011 64596 40143 37167 37759 15865 29432 43248 20312 37501 31546 UNK_947.5857@24.915 8645 11055 5212 5973 4150 9000 5845 84594 UNK_948.6083@25.891 34349 38507 35693 62796 58603 40489 46614 36510 31975 23245 18438 28761 20592 21763 UNK_948.6187@22.279 61780 48034 83235 144301 103690 54838 88849 25332 17503 21854 19394 21603 22448 32137 UNK_949.596@25.201 55796 74293 81020 120497 52972 57456 78270 78640 61534 88167 70131 60794 45543 40185 UNK_949.5989@25.424 2267 2272 536 2349 8088 7860 3185 UNK_954.6114@25.901 45581 45481 21085 67489 18752 29813 28047 51681 38574 27343 59816 24437 40563 UNK_955.6802@22.643 3344 5116 9835 5538 6689 4088 4037 7357 1548 4350 2483 UNK_956.9794@0.591 65008 24333 52631 66472 90849 110898 79833 100226 79484 65513 60106 50873 69880 52443 UNK_957.5264@24.170 2118 3556 1180 1615 2305 4463 1737 4970 6840 4847 2724 4361 2266 2726 UNK_958.1876@0.744 23747 29756 18995 24652 33081 59232 34940 38725 30529 88235 36849 32130 29003 UNK_958.6443@26.940 24301 34817 50184 42110 65872 81148 51891 56254 52032 39805 56129 37956 65863 23057 UNK_958.6703@22.876 17260 27848 14138 100667 61735 87118 37717 92400 116139 6331 45216 50573 22152 UNK_960.6054@25.528 10785 11909 12310 11469 6145 10564 8781 18864 22103 28015 38363 21486 29838 17089 UNK_961.5214@23.960 7396 7641 5270 4605 5834 9895 5779 10477 16982 14850 11087 7085 5328 UNK_963.6511@26.911 104739 129033 326340 403312 1204106 5148548 16015260 25331 21337 38055 56489 25640 46805 44341 UNK_965.5468@24.915 7001 7869 5027 5550 5642 7470 6433 11880 9942 11756 10006 7471 8444 6519 UNK_966.6212@25.525 6411 6863 5065 6334 3010 6493 4173 17193 30204 28819 36576 27272 33857 11378 UNK_967.5648@25.203 32928 40659 45337 49730 57578 67733 47135 50595 50434 59310 52588 32873 34858 20890 UNK_967.6806@22.701 59242 36943 110411 69242 64865 70075 8167 15184 9838 UNK_968.6358@26.318 23250 27540 14732 19572 13783 29077 42595 65956 85317 59406 45161 55702 36071 32174 UNK_971.5766@25.551 12256 8580 15051 15879 13565 37568 5538 UNK_972.618@22.138 64897 132483 1549874 13665 16563 4884 9044 20347 9373 22555 UNK_973.5976@23.455 81048 290937 41534 14640 20291 39032 15561 39516 36383 UNK_974.6332@22.307 28893 29256 23932 47736 124231 158659 426382 163949 137229 45442 32305 48948 19626 23173 UNK_975.6089@23.691 9880 20233 9055 14373 15453 19021 11354 16300 14128 22631 17322 11256 20321 21265 UNK_976.6399@27.068 91616 122537 105750 142342 116488 88700 86932 60351 40596 37913 43498 54962 41059 67075 UNK_977.6816@22.322 715 1750 2237 1822 1894 2176 1218 821 3129 1045 1498 UNK_978.5709@22.007 109471 7413 18603 UNK_978.5847@25.539 4177 6932 10499 15803 5335 9801 5531 10247 10811 10708 15262 9674 13224 4591 UNK_979.4976@23.939 7461 8693 6055 6804 6092 8673 6393 11066 11046 13752 9629 8998 8570 6281 UNK_980.6357@26.179 160935 177020 208119 295308 226518 319627 284325 327029 262563 265575 103286 199263 154230 108568 UNK_982.651@27.104 13810 177119 105946 153504 107734 107718 102131 139015 139137 131837 97311 120009 118622 121706 UNK_985.688@22.385 12565 239414 53065 53637 23674 5348 UNK_986.6223@25.791 23063 20885 30603 21036 15761 27469 17805 34868 46627 44991 43255 34775 39248 29642 UNK_989.6671@27.322 212010 1008675 527708 155683 UNK_989.683@22.701 67936 1480429 UNK_990.6565@27.846 118812 170567 146109 152803 105856 114708 126002 30378 32396 31176 30332 40801 37933 57870 UNK_991.6834@28.568 938080 968249 UNK_992.6358@25.810 15723 13383 10920 13227 7958 16958 10236 313360 1199854 116779 45750 UNK_992.6519@22.690 131437 760154 100404 37862 70021 24519 UNK_995.6613@22.722 6320 27922 31334 30713 12330 21505 15978 3811 6905 15579 40492 27661 UNK_996.6173@21.972 227043 67085 113650 12893 41542 UNK_996.6185@22.119 113485 117073 103850 133959 264471 103214 201582 59181 98065 28932 53036 107475 46898 82148 UNK_996.6681@19.932 219983 188227 237950 240527 219719 186234 215716 189848 182892 201454 204678 200730 210690 215164 UNK_996.6705@27.866 163180 254027 862145 1800345 3784706 4072159 1253226 547756 423607 275916 233785 315233 277925 222243 UNK_998.6337@22.312 22937 18665 20202 51888 76169 67972 70190 16583 11745 11434 7544 23094 12488 16572 URIC ACID (M-H)- 1603566 1755934 1386702 1707436 1582693 1651663 1192640 1632712 1245060 1432633 785874 1114695 1297313 1679687 URIDINE (M+CL)- 3137207 5376756 5288411 4320724 4659748 2735655 2983165 4341873 1049430 4450638 1558782 2318525 4888274 4366741 URIDINE (M-H)- 135628 1517407 232815 48636 53250 57288 131060 125594 XANTHINE (M-H)- 106959 225985 134385 95270 183399 276657 60186 140166 142883 57573 124089 118545 121436 XANTHOSINE (M-H)- 1635 1734 2462 1419 2331 1215 333169 ZEATIN [ISTD] (M+CL)- 539032 508488 510134 511685 542977 414301 496262 445901 498481 489449 578330 507903 561462 524727 ZEATIN [ISTD] (M-H)- 203536 170644 184460 192657 180255 154352 167204 154376 178567 177578 180137 185701 211061 193986 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-METHYLADENOSINE (M+CL)- 281.1122 2.997 27476 1-METHYLURIC ACID (2M-H)- 182.0452 2.192 69726 1-METHYLURIC ACID (M-H)- 182.0436 2.184 69726 1-METHYLXANTHINE (M-H)- 166.0497 2.493 80220 16:0 LYSO PC (M+CL)- 495.3354 22.225 460602 16:0-18:0 PC (M+CL)- 761.6043 25.469 18631368 18:0 LYSO-PE (M-H)- 481.3198 22.659 9547068 2-DEOXY-D-GLUCOSE (M+CL)- 164.0691 0.692 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 118.063 3.497 853180 2-HYDROXYBUTYRIC ACID (M-H)- 104.0476 1.765 11266 2-METHYLMALEIC ACID (M-H)- 130.0267 1.845 643798 24:0 SM (D18:1/24:0) (M+CL)- 814.6935 27.832 44260127 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 182.0576 3.822 440177 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 162.0521 1.523 1662 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0633 4.432 440877 3-METHYLXANTHINE (M-H)- 166.0499 2.429 70639 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0633 4.836 70 4-PYRIDOXIC ACID (M-H)- 183.0531 1.862 6723 5-HYDROXY OMEPRAZOLE (M-H)- 361.1108 12.32 119560 ACETAMINOPHEN (TN TYLENOL) (M-H)- 151.0629 3.072 1983 ADIPIC ACID (M-H)- 146.0581 3.593 196 ARACHIDONIC ACID (M-H)- 304.2417 22.705 444899 AZELAIC ACID (M-H)- 188.1048 10.82 2266 CHOLIC ACID (M-H)- 408.2881 20.486 221493 CIS-11-EICOSENOIC ACID (M-H)- 310.2879 23.265 5282768 CITRAMALIC ACID (M-H)- 148.037 1.401 441696 CITRIC ACID (M-H)- 192.0271 1.021 311 CORTISOL (M+CL)- 362.2108 13.924 5754 CORTISONE (M+CL)- 360.1946 13.503 222786 DEHYDROEPIANDROSTERONE SULFATE (M-H)- 368.1673 15.47 12594 DEOXYADENOSINE (M+CL)- 251.1011 1.783 13730 DEOXYCHOLIC ACID (2M-H)- 392.2912 21.749 222528 DEOXYCHOLIC ACID (M+CL)- 392.2934 21.752 222528 DEOXYCHOLIC ACID (M-H)- 392.2939 21.753 222528 DEOXYURIDINE (M+CL)- 228.0743 1.55 13712 DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)- 691.5161 24.649 445468 DOCOSAHEXAENOIC ACID (M-H)- 328.242 22.698 445580 EPIBRASSINOLIDE [ISTD] (M+CL)- 480.3466 19.934 115196 GALACTARIC ACID (M-H)- 210.0373 0.793 3037582 GLUCONIC ACID (M-H)- 196.0581 0.652 10690 GLUCOSE (M+CL)- 180.0642 0.645 5793 GLYCOCHOLIC ACID (M-H)- 465.3101 18.994 10140 HIPPURIC ACID (M-H)- 179.0583 4.826 464 HYODEOXYCHOLIC ACID (M-H)- 392.2969 22.862 5283820 IBUPROFEN (M-H)- 206.1307 18.951 114864 IBUPROFEN CARBOXYLIC ACID (M-H)- 236.1052 13.084 10444113 ISOCITRIC ACID (M-H)- 192.0266 0.771 5318532 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 206.0845 3.565 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 138.0445 5.33 227 LINOLEIC ACID (M-H)- 280.2416 22.719 5280450 MALIC ACID (M-H)- 134.0208 0.802 222656 METHYLMALONIC ACID (M-H)- 118.0263 1.497 487 MYRISTIC ACID (M-H)- 228.2091 22.454 11005 MYRISTOLEIC ACID (M-H)- 226.1934 22.073 5281119 N-ACETYL-D-GLUCOSAMINE (M+CL)- 221.0918 0.649 446101 N-ACETYL-L-ALANINE (M-H)- 131.0578 1.489 88064 NERVONIC ACID (M-H)- 366.3512 24.203 5281120 OLEIC ACID (M-H)- 282.2572 22.922 445639 OXALOACETIC ACID (M-H)-[-H2O] 132.0034 0.534 970 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- 327.0965 2.245 83944 PALMITIC ACID (M-H)- 256.2413 22.842 985 PALMITOLEIC ACID (M-H)- 254.2253 22.581 445638 PANTOTHENIC ACID (M-H)- 219.1108 3.295 6613 PHENYLALANINE (M-H)- 165.0786 2.468 6140 PHENYLPYRUVIC ACID (M-H)- 164.0468 5.483 997 PYRUVIC ACID (M-H)- 88.0161 0.73 1060 RIBITOL (M+CL)- 152.0667 0.638 94154 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 384.1183 1.49 439155 SALICYLATE #2 (M-H)- 138.0316 8.295 338 SALICYLURIC ACID (M-H)- 195.053 6.266 10253 STEARIC ACID (M-H)- 284.2726 23.187 5281 SUCCINIC ACID (M-H)- 118.0263 1.31 1110 SUCROSE (M+CL)- 342.1182 0.649 5988 SULFADIMETHOXINE (M-H)- 310.0742 9.376 5323 THEOPHYLLINE (M-H)- 180.0646 4.438 2153 THYROXINE (M-H)- 776.686 16.238 5819 TRANS-ACONITIC ACID (M-H)- 174.0163 1.198 444212 TRYPTOPHAN (2M-H)- 204.088 3.565 6305 TRYPTOPHAN (M-H)- 204.0901 3.565 6305 TYROSINE (M-H)- 181.0727 1.29 6057 UNK_101.9412@22.590 101.9412 22.59 UNK_104.0475@1.559 104.0475 1.559 UNK_112.0157@0.777 112.0157 0.777 UNK_113.9929@22.924 113.9929 22.924 UNK_116.0472@2.291 116.0472 2.291 UNK_117.9354@23.187 117.9354 23.187 UNK_117.9356@22.701 117.9356 22.701 UNK_117.9356@22.922 117.9356 22.922 UNK_117.9357@22.782 117.9357 22.782 UNK_117.9358@22.842 117.9358 22.842 UNK_118.0263@1.111 118.0263 1.111 UNK_118.0628@2.511 118.0628 2.511 UNK_120.0414@0.900 120.0414 0.9 UNK_121.0197@1.530 121.0197 1.53 UNK_1237.4915@12.149 1237.4915 12.149 UNK_1245.6018@10.509 1245.6018 10.509 UNK_1259.4738@12.150 1259.4738 12.15 UNK_1267.5865@10.493 1267.5865 10.493 UNK_1281.4521@12.137 1281.4521 12.137 UNK_130.0264@0.897 130.0264 0.897 UNK_131.0577@1.260 131.0577 1.26 UNK_131.9512@24.677 131.9512 24.677 UNK_131.9514@22.747 131.9514 22.747 UNK_132.0418@2.492 132.0418 2.492 UNK_136.0369@0.649 136.0369 0.649 UNK_1395.5605@12.101 1395.5605 12.101 UNK_1417.5417@12.108 1417.5417 12.108 UNK_1433.5074@12.105 1433.5074 12.105 UNK_1439.5192@12.097 1439.5192 12.097 UNK_144.0516@1.526 144.0516 1.526 UNK_1448.4696@12.099 1448.4696 12.099 UNK_145.9305@22.599 145.9305 22.599 UNK_146.0572@1.068 146.0572 1.068 UNK_146.0576@1.398 146.0576 1.398 UNK_146.0579@2.077 146.0579 2.077 UNK_146.05@7.693 146.05 7.693 UNK_1464.6497@9.431 1464.6497 9.431 UNK_1470.452@12.109 1470.452 12.109 UNK_1486.6346@9.434 1486.6346 9.434 UNK_1502.5977@9.444 1502.5977 9.444 UNK_1508.6139@9.434 1508.6139 9.434 UNK_151.0624@2.486 151.0624 2.486 UNK_152.0328@1.360 152.0328 1.36 UNK_152.0472@7.535 152.0472 7.535 UNK_1535.6873@9.126 1535.6873 9.126 UNK_154.0264@4.612 154.0264 4.612 UNK_1557.6696@9.127 1557.6696 9.127 UNK_1579.6486@9.127 1579.6486 9.127 UNK_158.094@12.264 158.094 12.264 UNK_160.0731@3.613 160.0731 3.613 UNK_160.1096@11.774 160.1096 11.774 UNK_161.0513@1.850 161.0513 1.85 UNK_162.1408@18.953 162.1408 18.953 UNK_166.0629@7.106 166.0629 7.106 UNK_169.9966@5.812 169.9966 5.812 UNK_173.9987@3.519 173.9987 3.519 UNK_173.9989@3.157 173.9989 3.157 UNK_174.0163@0.901 174.0163 0.901 UNK_176.032@0.931 176.032 0.931 UNK_178.0406@2.464 178.0406 2.464 UNK_178.041@1.526 178.041 1.526 UNK_178.1358@13.128 178.1358 13.128 UNK_180.0601@2.465 180.0601 2.465 UNK_180.0632@0.664 180.0632 0.664 UNK_182.9989@3.251 182.9989 3.251 UNK_188.0146@5.582 188.0146 5.582 UNK_188.0214@4.428 188.0214 4.428 UNK_188.0353@1.849 188.0353 1.849 UNK_188.0496@0.844 188.0496 0.844 UNK_188.1411@16.400 188.1411 16.4 UNK_189.994@2.557 189.994 2.557 UNK_190.0476@1.372 190.0476 1.372 UNK_190.048@1.000 190.048 1 UNK_190.0836@3.583 190.0836 3.583 UNK_192.115@13.104 192.115 13.104 UNK_192.8677@22.916 192.8677 22.916 UNK_192.8677@23.198 192.8677 23.198 UNK_192.8678@22.742 192.8678 22.742 UNK_196.0031@5.335 196.0031 5.335 UNK_196.8183@3.157 196.8183 3.157 UNK_196.8184@4.833 196.8184 4.833 UNK_197.0278@1.837 197.0278 1.837 UNK_198.05@4.435 198.05 4.435 UNK_198.0746@1.526 198.0746 1.526 UNK_198.0749@2.403 198.0749 2.403 UNK_198.0887@9.382 198.0887 9.382 UNK_200.0145@7.230 200.0145 7.23 UNK_200.0327@3.527 200.0327 3.527 UNK_201.0556@2.468 201.0556 2.468 UNK_202.03@8.427 202.03 8.427 UNK_204.0091@5.173 204.0091 5.173 UNK_204.0094@4.759 204.0094 4.759 UNK_204.0095@3.995 204.0095 3.995 UNK_204.0096@4.683 204.0096 4.683 UNK_204.0566@1.505 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326.9421 16.452 UNK_327.096@1.858 327.096 1.858 UNK_328.1351@22.458 328.1351 22.458 UNK_328.2619@22.546 328.2619 22.546 UNK_328.2684@22.922 328.2684 22.922 UNK_329.1065@21.786 329.1065 21.786 UNK_329.9383@7.451 329.9383 7.451 UNK_329.9631@3.620 329.9631 3.62 UNK_330.0354@4.612 330.0354 4.612 UNK_330.0743@1.429 330.0743 1.429 UNK_330.1576@23.251 330.1576 23.251 UNK_330.2575@22.850 330.2575 22.85 UNK_330.278@23.187 330.278 23.187 UNK_330.973@18.650 330.973 18.65 UNK_331.0637@13.247 331.0637 13.247 UNK_331.1038@4.827 331.1038 4.827 UNK_332.0683@4.266 332.0683 4.266 UNK_332.0994@5.245 332.0994 5.245 UNK_332.2731@22.954 332.2731 22.954 UNK_332.9423@2.925 332.9423 2.925 UNK_332.9889@19.880 332.9889 19.88 UNK_333.085@2.495 333.085 2.495 UNK_333.1057@3.840 333.1057 3.84 UNK_334.2119@21.648 334.2119 21.648 UNK_335.1259@1.516 335.1259 1.516 UNK_335.2603@22.459 335.2603 22.459 UNK_335.9056@8.464 335.9056 8.464 UNK_336.0876@18.961 336.0876 18.961 UNK_336.1198@18.764 336.1198 18.764 UNK_339.9012@4.825 339.9012 4.825 UNK_340.0679@4.836 340.0679 4.836 UNK_340.2084@24.668 340.2084 24.668 UNK_340.2182@22.713 340.2182 22.713 UNK_340.2241@22.436 340.2241 22.436 UNK_340.24@22.517 340.24 22.517 UNK_340.2618@22.153 340.2618 22.153 UNK_341.0082@3.580 341.0082 3.58 UNK_341.115@1.840 341.115 1.84 UNK_342.0817@8.315 342.0817 8.315 UNK_342.1675@15.807 342.1675 15.807 UNK_342.2775@22.395 342.2775 22.395 UNK_343.1589@22.457 343.1589 22.457 UNK_343.2729@22.309 343.2729 22.309 UNK_344.0854@1.851 344.0854 1.851 UNK_344.992@19.851 344.992 19.851 UNK_345.0028@2.464 345.0028 2.464 UNK_345.0031@3.572 345.0031 3.572 UNK_345.0936@22.055 345.0936 22.055 UNK_345.1432@2.468 345.1432 2.468 UNK_346.0996@1.341 346.0996 1.341 UNK_346.1424@7.468 346.1424 7.468 UNK_346.1427@6.673 346.1427 6.673 UNK_346.1428@8.578 346.1428 8.578 UNK_346.2136@22.518 346.2136 22.518 UNK_346.2149@22.121 346.2149 22.121 UNK_347.1001@3.618 347.1001 3.618 UNK_347.1096@22.459 347.1096 22.459 UNK_348.1006@4.847 348.1006 4.847 UNK_348.1011@4.425 348.1011 4.425 UNK_348.1175@1.373 348.1175 1.373 UNK_348.1584@8.992 348.1584 8.992 UNK_348.2289@22.730 348.2289 22.73 UNK_348.8573@5.580 348.8573 5.58 UNK_349.0074@18.954 349.0074 18.954 UNK_350.0211@4.848 350.0211 4.848 UNK_350.0229@4.427 350.0229 4.427 UNK_350.2446@22.924 350.2446 22.924 UNK_350.9174@4.420 350.9174 4.42 UNK_350.9174@4.840 350.9174 4.84 UNK_352.0139@2.467 352.0139 2.467 UNK_352.1573@22.585 352.1573 22.585 UNK_352.2598@23.194 352.2598 23.194 UNK_353.0563@3.478 353.0563 3.478 UNK_353.0941@12.559 353.0941 12.559 UNK_353.0942@12.816 353.0942 12.816 UNK_353.9871@1.780 353.9871 1.78 UNK_354.1513@22.587 354.1513 22.587 UNK_354.1723@22.843 354.1723 22.843 UNK_354.2085@22.423 354.2085 22.423 UNK_354.2211@21.963 354.2211 21.963 UNK_354.9727@18.408 354.9727 18.408 UNK_355.1222@22.070 355.1222 22.07 UNK_355.1236@22.128 355.1236 22.128 UNK_355.1586@22.436 355.1586 22.436 UNK_356.0441@2.584 356.0441 2.584 UNK_356.167@22.842 356.167 22.842 UNK_356.2751@22.920 356.2751 22.92 UNK_356.9898@20.299 356.9898 20.299 UNK_357.0695@21.786 357.0695 21.786 UNK_357.1395@22.455 357.1395 22.455 UNK_358.0644@1.364 358.0644 1.364 UNK_358.8986@5.324 358.8986 5.324 UNK_359.0056@21.057 359.0056 21.057 UNK_359.005@21.327 359.005 21.327 UNK_360.0557@1.007 360.0557 1.007 UNK_360.0582@1.846 360.0582 1.846 UNK_360.9711@13.105 360.9711 13.105 UNK_361.0213@21.785 361.0213 21.785 UNK_361.1243@22.614 361.1243 22.614 UNK_361.2755@22.578 361.2755 22.578 UNK_362.0972@1.322 362.0972 1.322 UNK_363.0223@18.955 363.0223 18.955 UNK_363.2923@22.824 363.2923 22.824 UNK_364.2181@22.707 364.2181 22.707 UNK_364.2608@22.066 364.2608 22.066 UNK_364.966@15.764 364.966 15.764 UNK_365.0932@1.374 365.0932 1.374 UNK_366.111@22.449 366.111 22.449 UNK_366.1338@23.249 366.1338 23.249 UNK_366.2349@22.864 366.2349 22.864 UNK_366.2775@22.313 366.2775 22.313 UNK_366.2779@22.249 366.2779 22.249 UNK_366.9735@18.957 366.9735 18.957 UNK_367.0115@21.152 367.0115 21.152 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UNK_413.9749@18.413 413.9749 18.413 UNK_414.1304@8.581 414.1304 8.581 UNK_414.2093@16.033 414.2093 16.033 UNK_414.2289@23.188 414.2289 23.188 UNK_414.2679@22.516 414.2679 22.516 UNK_414.3316@22.727 414.3316 22.727 UNK_414.3363@22.813 414.3363 22.813 UNK_414.3701@22.915 414.3701 22.915 UNK_415.0706@22.594 415.0706 22.594 UNK_415.1452@22.454 415.1452 22.454 UNK_415.1733@23.088 415.1733 23.088 UNK_416.1461@8.993 416.1461 8.993 UNK_416.2142@22.738 416.2142 22.738 UNK_416.2947@22.572 416.2947 22.572 UNK_417.0852@22.860 417.0852 22.86 UNK_418.1467@22.742 418.1467 22.742 UNK_418.2328@22.927 418.2328 22.927 UNK_418.3098@22.572 418.3098 22.572 UNK_418.31@22.727 418.31 22.727 UNK_419.0495@17.484 419.0495 17.484 UNK_419.1468@1.488 419.1468 1.488 UNK_419.9032@0.488 419.9032 0.488 UNK_420.0551@2.468 420.0551 2.468 UNK_420.1216@2.468 420.1216 2.468 UNK_420.2468@23.188 420.2468 23.188 UNK_420.3255@22.717 420.3255 22.717 UNK_420.3286@22.833 420.3286 22.833 UNK_420.938@5.577 420.938 5.577 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UNK_428.9745@18.774 428.9745 18.774 UNK_429.189@23.266 429.189 23.266 UNK_430.0829@2.469 430.0829 2.469 UNK_430.163@3.565 430.163 3.565 UNK_430.1696@22.754 430.1696 22.754 UNK_430.1886@22.941 430.1886 22.941 UNK_430.203@23.191 430.203 23.191 UNK_430.3093@22.685 430.3093 22.685 UNK_430.3095@21.918 430.3095 21.918 UNK_431.1012@23.007 431.1012 23.007 UNK_432.1586@4.841 432.1586 4.841 UNK_432.1589@4.426 432.1589 4.426 UNK_432.1798@16.535 432.1798 16.535 UNK_432.2018@23.189 432.2018 23.189 UNK_432.324@21.781 432.324 21.781 UNK_432.3257@22.647 432.3257 22.647 UNK_432.3488@22.884 432.3488 22.884 UNK_433.9879@4.826 433.9879 4.826 UNK_434.1992@23.189 434.1992 23.189 UNK_434.272@22.829 434.272 22.829 UNK_434.3397@22.733 434.3397 22.733 UNK_434.3422@22.861 434.3422 22.861 UNK_435.0214@15.781 435.0214 15.781 UNK_435.1204@22.517 435.1204 22.517 UNK_436.1548@15.507 436.1548 15.507 UNK_436.3281@22.563 436.3281 22.563 UNK_436.3553@22.862 436.3553 22.862 UNK_436.3571@22.913 436.3571 22.913 UNK_437.0366@18.957 437.0366 18.957 UNK_437.0942@21.653 437.0942 21.653 UNK_437.133@22.737 437.133 22.737 UNK_438.0631@13.423 438.0631 13.423 UNK_438.1704@16.114 438.1704 16.114 UNK_438.1704@17.354 438.1704 17.354 UNK_438.2989@20.624 438.2989 20.624 UNK_438.2992@21.663 438.2992 21.663 UNK_438.2995@19.409 438.2995 19.409 UNK_439.0322@19.885 439.0322 19.885 UNK_439.0693@22.519 439.0693 22.519 UNK_439.0826@3.531 439.0826 3.531 UNK_439.1485@22.943 439.1485 22.943 UNK_439.2175@23.284 439.2175 23.284 UNK_440.3575@22.706 440.3575 22.706 UNK_440.3612@22.875 440.3612 22.875 UNK_440.3811@22.838 440.3811 22.838 UNK_440.3868@23.807 440.3868 23.807 UNK_440.3878@23.171 440.3878 23.171 UNK_441.0014@18.954 441.0014 18.954 UNK_441.0856@22.743 441.0856 22.743 UNK_441.1598@22.583 441.1598 22.583 UNK_441.1647@23.187 441.1647 23.187 UNK_441.232@23.609 441.232 23.609 UNK_442.3655@22.466 442.3655 22.466 UNK_442.4036@22.951 442.4036 22.951 UNK_442.9804@13.123 442.9804 13.123 UNK_442.9906@20.292 442.9906 20.292 UNK_443.0962@7.899 443.0962 7.899 UNK_443.1755@22.843 443.1755 22.843 UNK_444.1299@22.461 444.1299 22.461 UNK_444.1374@8.320 444.1374 8.32 UNK_444.228@13.788 444.228 13.788 UNK_444.2736@20.313 444.2736 20.313 UNK_444.3257@22.718 444.3257 22.718 UNK_445.1153@23.197 445.1153 23.197 UNK_446.0681@8.579 446.0681 8.579 UNK_446.1287@2.468 446.1287 2.468 UNK_446.3424@22.839 446.3424 22.839 UNK_446.3506@22.906 446.3506 22.906 UNK_447.1533@22.719 447.1533 22.719 UNK_447.2374@21.757 447.2374 21.757 UNK_448.0023@3.496 448.0023 3.496 UNK_448.2838@21.580 448.2838 21.58 UNK_448.3194@22.423 448.3194 22.423 UNK_448.3568@22.853 448.3568 22.853 UNK_448.3576@22.933 448.3576 22.933 UNK_448.3688@23.183 448.3688 23.183 UNK_449.1596@22.804 449.1596 22.804 UNK_449.1747@22.963 449.1747 22.963 UNK_449.3151@20.406 449.3151 20.406 UNK_449.3152@20.778 449.3152 20.778 UNK_449.3161@17.837 449.3161 17.837 UNK_450.1065@1.789 450.1065 1.789 UNK_450.1819@18.499 450.1819 18.499 UNK_450.2634@21.792 450.2634 21.792 UNK_450.3315@22.516 450.3315 22.516 UNK_450.333@22.576 450.333 22.576 UNK_450.3722@22.947 450.3722 22.947 UNK_450.9487@15.825 450.9487 15.825 UNK_451.1743@22.965 451.1743 22.965 UNK_451.192@23.190 451.192 23.19 UNK_451.2668@21.838 451.2668 21.838 UNK_452.1495@13.016 452.1495 13.016 UNK_452.3523@22.721 452.3523 22.721 UNK_452.3883@23.163 452.3883 23.163 UNK_453.2871@22.162 453.2871 22.162 UNK_453.2875@22.278 453.2875 22.278 UNK_454.3301@21.787 454.3301 21.787 UNK_454.3301@21.896 454.3301 21.896 UNK_454.3666@22.802 454.3666 22.802 UNK_454.4033@23.298 454.4033 23.298 UNK_455.0261@17.484 455.0261 17.484 UNK_455.1444@23.186 455.1444 23.186 UNK_455.1729@22.518 455.1729 22.518 UNK_455.2094@22.924 455.2094 22.924 UNK_455.9712@5.585 455.9712 5.585 UNK_456.2564@21.314 456.2564 21.314 UNK_456.3323@22.783 456.3323 22.783 UNK_456.3732@22.460 456.3732 22.46 UNK_456.937@13.250 456.937 13.25 UNK_456.997@13.131 456.997 13.131 UNK_457.1821@22.727 457.1821 22.727 UNK_458.2196@23.249 458.2196 23.249 UNK_458.3567@22.403 458.3567 22.403 UNK_458.3611@22.516 458.3611 22.516 UNK_459.2017@22.924 459.2017 22.924 UNK_460.1541@4.426 460.1541 4.426 UNK_460.2108@18.500 460.2108 18.5 UNK_460.2811@21.754 460.2811 21.754 UNK_460.2813@21.704 460.2813 21.704 UNK_460.3174@22.664 460.3174 22.664 UNK_460.3555@22.845 460.3555 22.845 UNK_460.3677@23.174 460.3677 23.174 UNK_461.1376@22.723 461.1376 22.723 UNK_462.0623@8.611 462.0623 8.611 UNK_463.1785@23.182 463.1785 23.182 UNK_463.1856@13.195 463.1856 13.195 UNK_463.2482@1.548 463.2482 1.548 UNK_463.9767@3.500 463.9767 3.5 UNK_464.3152@21.729 464.3152 21.729 UNK_464.3874@23.188 464.3874 23.188 UNK_465.044@8.580 465.044 8.58 UNK_465.9991@5.582 465.9991 5.582 UNK_466.2018@17.553 466.2018 17.553 UNK_466.258@18.153 466.258 18.153 UNK_466.3666@22.711 466.3666 22.711 UNK_466.3682@22.907 466.3682 22.907 UNK_467.1047@5.781 467.1047 5.781 UNK_467.1761@22.724 467.1761 22.724 UNK_468.2029@22.250 468.2029 22.25 UNK_468.3833@22.864 468.3833 22.864 UNK_469.1164@23.029 469.1164 23.029 UNK_469.1918@22.923 469.1918 22.923 UNK_469.2647@24.131 469.2647 24.131 UNK_470.1445@22.596 470.1445 22.596 UNK_470.2355@17.322 470.2355 17.322 UNK_470.2356@17.806 470.2356 17.806 UNK_470.388@22.624 470.388 22.624 UNK_471.1316@23.264 471.1316 23.264 UNK_471.1662@22.723 471.1662 22.723 UNK_471.2056@23.186 471.2056 23.186 UNK_472.0186@8.572 472.0186 8.572 UNK_472.0821@8.637 472.0821 8.637 UNK_472.1575@22.841 472.1575 22.841 UNK_472.2508@19.552 472.2508 19.552 UNK_472.3552@22.866 472.3552 22.866 UNK_473.188@22.931 473.188 22.931 UNK_474.1016@8.993 474.1016 8.993 UNK_474.2026@3.838 474.2026 3.838 UNK_474.3712@23.177 474.3712 23.177 UNK_474.373@22.950 474.373 22.95 UNK_475.2003@23.196 475.2003 23.196 UNK_475.2174@22.540 475.2174 22.54 UNK_476.0979@8.583 476.0979 8.583 UNK_476.313@21.900 476.313 21.9 UNK_476.3555@22.723 476.3555 22.723 UNK_476.3588@22.835 476.3588 22.835 UNK_476.3909@23.168 476.3909 23.168 UNK_477.2879@22.109 477.2879 22.109 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25.326 UNK_872.6987@26.941 872.6987 26.941 UNK_873.5712@24.861 873.5712 24.861 UNK_874.478@23.634 874.478 23.634 UNK_874.6738@25.955 874.6738 25.955 UNK_874.7146@28.441 874.7146 28.441 UNK_875.4776@25.260 875.4776 25.26 UNK_875.5683@24.076 875.5683 24.076 UNK_875.5887@25.473 875.5887 25.473 UNK_876.2849@3.564 876.2849 3.564 UNK_876.6875@25.817 876.6875 25.817 UNK_877.1572@8.582 877.1572 8.582 UNK_877.5852@24.245 877.5852 24.245 UNK_877.5871@24.444 877.5871 24.444 UNK_879.5929@23.368 879.5929 23.368 UNK_879.5979@24.669 879.5979 24.669 UNK_879.6005@24.911 879.6005 24.911 UNK_88.0153@0.735 88.0153 0.735 UNK_881.5334@24.105 881.5334 24.105 UNK_881.6158@25.375 881.6158 25.375 UNK_881.616@25.186 881.616 25.186 UNK_882.2991@3.564 882.2991 3.564 UNK_882.533@23.712 882.533 23.712 UNK_883.6316@25.662 883.6316 25.662 UNK_884.5551@23.963 884.5551 23.963 UNK_889.5286@24.463 889.5286 24.463 UNK_892.5024@23.726 892.5024 23.726 UNK_893.5384@23.963 893.5384 23.963 UNK_893.54@24.015 893.54 24.015 UNK_893.5579@25.477 893.5579 25.477 UNK_893.6077@23.530 893.6077 23.53 UNK_893.6508@26.030 893.6508 26.03 UNK_893.6513@26.612 893.6513 26.612 UNK_895.4544@24.560 895.4544 24.56 UNK_895.5553@24.170 895.5553 24.17 UNK_895.5786@23.453 895.5786 23.453 UNK_895.6665@26.908 895.6665 26.908 UNK_896.3966@23.132 896.3966 23.132 UNK_896.636@22.729 896.636 22.729 UNK_897.4905@22.446 897.4905 22.446 UNK_897.5874@23.688 897.5874 23.688 UNK_897.6504@25.983 897.6504 25.983 UNK_897.6797@27.487 897.6797 27.487 UNK_897.6827@28.381 897.6827 28.381 UNK_898.5783@23.453 898.5783 23.453 UNK_898.6373@25.529 898.6373 25.529 UNK_899.5243@24.735 899.5243 24.735 UNK_899.5672@23.979 899.5672 23.979 UNK_899.5875@25.175 899.5875 25.175 UNK_90.0317@0.852 90.0317 0.852 UNK_90.0319@0.958 90.0319 0.958 UNK_900.5037@23.749 900.5037 23.749 UNK_900.6544@26.344 900.6544 26.344 UNK_901.6028@25.652 901.6028 25.652 UNK_902.6652@26.929 902.6652 26.929 UNK_902.6825@22.923 902.6825 22.923 UNK_903.5283@24.709 903.5283 24.709 UNK_904.553@24.189 904.553 24.189 UNK_904.6019@25.886 904.6019 25.886 UNK_904.6396@27.096 904.6396 27.096 UNK_905.4974@23.918 905.4974 23.918 UNK_905.5347@25.248 905.5347 25.248 UNK_905.574@24.686 905.574 24.686 UNK_905.6075@23.454 905.6075 23.454 UNK_905.6645@22.923 905.6645 22.923 UNK_907.5183@24.215 907.5183 24.215 UNK_907.5434@22.583 907.5434 22.583 UNK_907.5914@24.906 907.5914 24.906 UNK_907.6193@25.549 907.6193 25.549 UNK_907.6247@23.708 907.6247 23.708 UNK_908.7288@23.187 908.7288 23.187 UNK_909.634@25.974 909.634 25.974 UNK_912.4083@23.249 912.4083 23.249 UNK_912.6539@26.160 912.6539 26.16 UNK_913.5104@24.285 913.5104 24.285 UNK_913.518@24.218 913.518 24.218 UNK_914.6517@22.834 914.6517 22.834 UNK_914.6684@27.068 914.6684 27.068 UNK_915.5284@24.552 915.5284 24.552 UNK_916.4884@23.361 916.4884 23.361 UNK_917.5447@23.928 917.5447 23.928 UNK_917.5464@25.154 917.5464 25.154 UNK_918.4882@23.635 918.4882 23.635 UNK_918.614@26.358 918.614 26.358 UNK_918.656@27.861 918.656 27.861 UNK_919.5542@24.145 919.5542 24.145 UNK_919.5553@24.244 919.5553 24.244 UNK_919.5663@25.647 919.5663 25.647 UNK_920.2349@0.735 920.2349 0.735 UNK_920.6353@22.714 920.6353 22.714 UNK_921.5697@24.486 921.5697 24.486 UNK_921.682@27.316 921.682 27.316 UNK_922.5265@24.190 922.5265 24.19 UNK_923.5751@24.727 923.5751 24.727 UNK_923.5852@24.955 923.5852 24.955 UNK_923.6976@28.567 923.6976 28.567 UNK_924.5003@23.644 924.5003 23.644 UNK_924.6538@25.788 924.6538 25.788 UNK_925.5253@22.580 925.5253 22.58 UNK_925.6003@25.295 925.6003 25.295 UNK_926.6707@26.776 926.6707 26.776 UNK_927.5767@25.554 927.5767 25.554 UNK_927.6201@25.932 927.6201 25.932 UNK_928.6864@27.840 928.6864 27.84 UNK_930.6126@26.158 930.6126 26.158 UNK_932.6305@27.065 932.6305 27.065 UNK_932.6581@22.910 932.6581 22.91 UNK_933.6323@23.819 933.6323 23.819 UNK_934.5998@25.456 934.5998 25.456 UNK_934.6656@22.843 934.6656 22.843 UNK_934.69@23.180 934.69 23.18 UNK_935.5066@23.878 935.5066 23.878 UNK_936.2081@0.746 936.2081 0.746 UNK_936.4596@23.637 936.4596 23.637 UNK_937.513@24.165 937.513 24.165 UNK_937.5146@24.257 937.5146 24.257 UNK_937.6386@26.706 937.6386 26.706 UNK_938.6622@26.265 938.6622 26.265 UNK_939.5302@24.492 939.5302 24.492 UNK_940.6849@26.943 940.6849 26.943 UNK_941.5439@24.961 941.5439 24.961 UNK_942.2164@0.741 942.2164 0.741 UNK_942.6132@25.778 942.6132 25.778 UNK_942.7003@28.442 942.7003 28.442 UNK_943.5619@25.307 943.5619 25.307 UNK_943.6432@27.245 943.6432 27.245 UNK_944.5046@23.726 944.5046 23.726 UNK_944.6443@22.707 944.6443 22.707 UNK_945.6615@22.926 945.6615 22.926 UNK_946.648@27.825 946.648 27.825 UNK_947.5785@23.369 947.5785 23.369 UNK_947.5857@24.915 947.5857 24.915 UNK_948.6083@25.891 948.6083 25.891 UNK_948.6187@22.279 948.6187 22.279 UNK_949.596@25.201 949.596 25.201 UNK_949.5989@25.424 949.5989 25.424 UNK_954.6114@25.901 954.6114 25.901 UNK_955.6802@22.643 955.6802 22.643 UNK_956.9794@0.591 956.9794 0.591 UNK_957.5264@24.170 957.5264 24.17 UNK_958.1876@0.744 958.1876 0.744 UNK_958.6443@26.940 958.6443 26.94 UNK_958.6703@22.876 958.6703 22.876 UNK_960.6054@25.528 960.6054 25.528 UNK_961.5214@23.960 961.5214 23.96 UNK_963.6511@26.911 963.6511 26.911 UNK_965.5468@24.915 965.5468 24.915 UNK_966.6212@25.525 966.6212 25.525 UNK_967.5648@25.203 967.5648 25.203 UNK_967.6806@22.701 967.6806 22.701 UNK_968.6358@26.318 968.6358 26.318 UNK_971.5766@25.551 971.5766 25.551 UNK_972.618@22.138 972.618 22.138 UNK_973.5976@23.455 973.5976 23.455 UNK_974.6332@22.307 974.6332 22.307 UNK_975.6089@23.691 975.6089 23.691 UNK_976.6399@27.068 976.6399 27.068 UNK_977.6816@22.322 977.6816 22.322 UNK_978.5709@22.007 978.5709 22.007 UNK_978.5847@25.539 978.5847 25.539 UNK_979.4976@23.939 979.4976 23.939 UNK_980.6357@26.179 980.6357 26.179 UNK_982.651@27.104 982.651 27.104 UNK_985.688@22.385 985.688 22.385 UNK_986.6223@25.791 986.6223 25.791 UNK_989.6671@27.322 989.6671 27.322 UNK_989.683@22.701 989.683 22.701 UNK_990.6565@27.846 990.6565 27.846 UNK_991.6834@28.568 991.6834 28.568 UNK_992.6358@25.810 992.6358 25.81 UNK_992.6519@22.690 992.6519 22.69 UNK_995.6613@22.722 995.6613 22.722 UNK_996.6173@21.972 996.6173 21.972 UNK_996.6185@22.119 996.6185 22.119 UNK_996.6681@19.932 996.6681 19.932 UNK_996.6705@27.866 996.6705 27.866 UNK_998.6337@22.312 998.6337 22.312 URIC ACID (M-H)- 168.028 0.95 1175 URIDINE (M+CL)- 244.0704 1.329 6029 URIDINE (M-H)- 244.0699 1.352 6029 XANTHINE (M-H)- 152.0331 1.27 1188 XANTHOSINE (M-H)- 284.077 2.394 64959 ZEATIN [ISTD] (M+CL)- 219.1127 3.839 449093 ZEATIN [ISTD] (M-H)- 219.1123 3.839 449093