metabolite_name S00027730 S00027731 S00027732 S00027733 S00027734 S00027735 S00027736 S00027737 S00027738 S00027739 16:0 LYSO PC (M+CL)- 100903 323960 422907 322868 232013 280299 154389 356620 255117 281082 16:0-18:0 PC (M+CL)- 5078 22449 35228 26310 21337 31979 15394 30803 20315 23938 18:0 LYSO-PE (M-H)- 34654 130255 200371 127211 94902 154927 68394 143186 86998 130562 2'-DEOXYINOSINE (M-H)- 8444 3045 1004 3261 7812 2-DEOXY-D-GLUCOSE (M+CL)- 368473 485186 197052 474303 298715 451947 524230 159030 685607 118102 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 280045 204346 485483 302484 191066 344770 216737 240855 223046 177686 2-HYDROXYBUTYRIC ACID (M-H)- 47168 42778 38017 26442 43124 23148 23946 24:0 SM (D18:1/24:0) (M+CL)- 22163 36473 38106 46953 33293 42289 27758 44863 37270 45424 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 93255 95880 118729 120015 189519 139086 164071 99392 68416 86036 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 11545 22338 33801 26625 21483 11386 33355 13793 23029 3-METHOXYTYROSINE (M-H)- 11553 5233 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 1738117 1286719 1838524 1743515 1557782 1524677 1869190 1617640 1618461 1527796 3-UREIDOPROPIONIC ACID (M-H)- 27137 16496 33281 40711 33234 40698 25463 44190 30304 35531 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 3752547 2700079 3688966 3714236 3470508 3337796 3651153 3371592 3430750 3045422 4-NITROPHENOL (M-H)- 5854 4-PYRIDOXIC ACID (M-H)- 8087 5802 6445 7205 2381 3415 2015 3153 5'-METHYLTHIOADENOSINE (M+CL)- 40008 85369 120895 89180 53387 75071 41734 90672 46871 70321 5-AMINOPENTANOIC ACID (M-H)- 18436 49602 51248 41556 34363 29709 33566 37761 36085 42508 5-HYDROXYTRYPTOPHAN (M-H)- 16786 13993 19272 16854 15625 18574 15626 5-METHYLTETRAHYDROFOLIC ACID (M-H)- 5977 1819 6116 5807 4293 4056 5-OXOPROLINE (M-H)- 1045861 893908 711623 771611 817116 1066980 1192064 868855 1176560 923073 ADENOSINE (M+CL)- 147072 116558 152877 232178 273547 296349 195471 125386 102190 238129 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 13950 31203 48295 20951 46078 66927 22484 41905 ADIPIC ACID (M-H)- 22348 19957 10907 24221 15741 12715 26681 ALLANTOIN (M-H)- 14502 57228 11171 18050 39428 43422 33902 14028 75289 46666 ARACHIDIC ACID (M-H)- 15701 20729 21926 17920 23197 26234 19418 23048 25802 34472 ARACHIDONIC ACID (M-H)- 428268 838329 1184464 973687 906214 1150905 854612 1035127 799390 1383011 ASPARAGINE (M-H)- 15081 11925 6772 7612 20102 10035 5718 AZELAIC ACID (M-H)- 75554 71936 63355 93706 54589 126717 57996 42171 57046 120643 BEHENIC ACID (M-H)- 3743 7110 8582 7957 7294 12543 5899 8973 6968 10300 BILIVERDIN (M-H)- 9317 8921 6079 6102 BIOTIN (M+CL)- 16859 11307 11852 15280 4587 9519 BIOTIN (M-H)- 66896 127458 95124 99413 125260 44303 42179 73789 41323 58992 CHOLIC ACID (M-H)- 3030 3451 7808 8019 6034 4469 8532 2072 10520 1777 CIS-11-EICOSENOIC ACID (M-H)- 18893 19689 24739 20736 17574 36172 22395 24797 22069 28088 CIS-ACONITIC ACID (M-H)- 6055 81795 8996 6230 5419 7088 8274 4050 CITRIC ACID (M-H)- 254266 746710 1642494 1092856 614256 1691901 767987 801425 1394080 693602 CITRULLINE (M-H)- 3009 CORTICOSTERONE (M+CL)- 115114 46296 58180 38045 26464 45857 24909 67414 30209 22122 DECANOIC ACID (M-H)- 3673 DEHYDROASCORBIC ACID (M+CL)- 13912 15058 19137 2637 DEHYDROASCORBIC ACID (M-H)- 84668 85803 244983 178766 111301 95111 93581 137166 80328 DEOXYADENOSINE (M+CL)- 6743 4911 9504 6247 DEOXYCYTIDINE (M+CL)- 6416 47888 74632 39235 15939 29841 9022 39074 18346 23592 DEOXYURIDINE (M+CL)- 162177 685431 2297255 914859 448005 292519 273349 723183 214154 946959 DEOXYURIDINE (M-H)- 144804 226860 112216 58844 74621 39902 159744 63331 110123 DOCOSAHEXAENOIC ACID (M-H)- 1300280 2314102 3037476 2439559 2314443 2340150 1824014 2250332 2199531 2527647 DUMP (M-H)- 7603 17324 7080 8697 7088 4404 19727 4369 1441 EPIBRASSINOLIDE [ISTD] (M+CL)- 721078 733924 795088 773582 770943 750122 747497 764869 819850 803555 ERUCIC ACID (M-H)- 2765 7375 5797 12475 19701 9473 6208 6305 3967 5558 FUMARIC ACID (M-H)- 19102 21507 19934 20185 26581 25797 22202 26898 GALACTARIC ACID (M-H)- 21617 4341 GERANYLGERANYL DIPHOSPHATE (M-H)- 1186 1169 1490 1519 1659 3165 GLUCONIC ACID (M-H)- 10667 11073 16464 11674 20215 40312 30971 27266 106663 68758 GLUCOSE (M+CL)- 630223 281171 442829 1005287 1258294 2005834 2053350 604326 5618534 3561231 GLUTAMINE (M-H)- 26308 54578 73445 60294 50480 22482 21052 78141 41304 35776 GLUTARIC ACID (M-H)- 18230 17349 27077 19418 20699 17278 35740 23825 39368 GLUTATHIONE (OXIDIZED) (M-H)- 2827 1752 2723 8397 2579 4186 GLYCERIC ACID (M-H)- 31061 28844 32104 28804 33709 23593 34907 GLYCOCHOLIC ACID (M-H)- 3690 22423 17369 32096 8823 4007 5592 13669 6143 19027 GUANINE (M-H)- 3080 2440 GUANOSINE (M-H)- 7728 HEPTADECANOIC ACID (M-H)- 75764 76014 75707 73163 72900 78652 73225 79346 78723 84007 HEXACOSANOIC ACID (M-H)- 3450 4900 3959 4250 4268 6475 3956 5790 3958 6017 HIPPURIC ACID (M-H)- 95896 43044 99043 58023 40698 43321 39986 53306 HOMOVANILLIC ACID (2M-H)- 4937 4035 4348 4678 3980 HYODEOXYCHOLIC ACID (M-H)- 896524 387366 78651 98270 357167 346951 873825 375689 921432 346496 HYPOXANTHINE (M-H)- 34749 86677 30103 55644 50304 27818 11298 37566 INOSINE (M-H)- 28129 46354 85327 88915 142440 128911 48741 63636 29247 119960 INOSINE 5'-DIPHOSPHATE (M-H)- 66330 47422 80641 100207 97906 91114 76695 46582 98846 93328 ISOCITRIC ACID (M-H)- 1813185 1703267 876271 2139335 2316626 1560293 1793833 798828 2441201 2299329 ISOLEUCINE (M-H)- 473645 722504 1572641 1289216 895592 2138292 1457062 1764954 1136628 1128895 KYNURENIC ACID (M-H)- 13388 8690 18512 27947 18138 12693 7091 21064 30638 KYNURENINE (M-H)- 28979 100653 180599 105791 74066 85838 47652 100975 72518 66454 L-ARGININE (M-H)- 9989 18728 25824 15309 13882 13036 8360 16788 15099 11443 L-HISTIDINE (M-H)- 29575 62756 86151 56276 37755 44940 34975 71404 50535 45700 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 640877 617263 623314 642983 631666 633737 641117 625674 672935 639600 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 167202 163366 173389 176784 169781 163655 164624 171196 182048 178661 LAURIC ACID (M-H)- 18030 16304 19707 18641 18576 17927 19296 19517 20344 18253 LEUCINE (M-H)- 767486 689519 1747421 1177297 780988 2138121 1454964 3305467 962847 1070101 LIGNOCERIC ACID (M-H)- 13072 29695 28162 31035 29598 31467 26075 39321 32018 39170 LINOLEIC ACID (M-H)- 216826 224349 314466 358998 357429 380835 278664 265806 208845 329058 LYSINE (M-H)- 99436 137613 187700 161283 116815 138263 102373 149453 125157 133518 MALEIC ACID (M-H)- 20677 51524 28021 37734 38144 53877 71486 73091 52778 33936 MALIC ACID (M-H)- 59350 86113 151592 105717 183760 105270 86385 135464 96921 293178 MANDELIC ACID (M-H)- 8488 7228 11209 7634 METHIONINE (M-H)- 86467 125444 131512 81178 100820 96010 114080 111945 80805 METHYL BETA-D-GALACTOSIDE (M+CL)- 20741 29305 35587 19669 32128 28269 25169 38793 29728 17211 MEVALONIC ACID (M-H)- 65882 67848 51760 57949 51792 67068 58618 57793 56029 57391 MYRISTIC ACID (M-H)- 283094 293431 325330 303281 311673 316224 312104 325311 319776 335669 MYRISTOLEIC ACID (M-H)- 4433 N-ACETYL-D-GLUCOSAMINE (M+CL)- 301896 590814 85697 389283 420063 501678 390789 202148 706215 302422 N-ACETYL-L-ALANINE (M-H)- 55194 1850 21366 6856 N-ACETYL-L-LEUCINE (M-H)- 33992 36470 59774 44433 25112 31444 23133 53209 33587 29046 N-ACETYL-L-PHENYLALANINE (M-H)- 38107 50031 73726 45145 32592 34796 27017 53088 30179 26709 N-ACETYLGLYCINE (M-H)- 10747 14101 10363 14191 13954 13667 10876 N-ACETYLNEURAMINIC ACID (M-H)- 4003 28097 14404 11116 19131 18333 11105 25765 14889 NERVONIC ACID (M-H)- 2322 7228 10409 8877 7448 14101 4209 9038 4981 9080 O-PHOSPHO-SERINE (2M-H)+ 2955 2113 3710 3981 3524 2035 3007 4756 O-SUCCINYL-L-HOMOSERINE (M-H)- 53616 44405 41663 44903 46402 49988 45057 48144 49151 48165 OLEIC ACID (M-H)- 604025 670824 851628 816425 781096 953707 764585 789812 683020 941323 ORNITHINE (M-H)- 8359 10149 10774 10167 8280 7477 13120 8937 12266 OROTIC ACID (M-H)- 18738 44113 90955 63963 39368 53666 39595 88463 51721 121469 OXALIC ACID (M-H)- 6399 30472 12024 27246 OXALOACETIC ACID (M-H)-[-H2O] 743645 799366 800428 823567 801224 781567 752800 754795 716649 754699 PALMITIC ACID (M-H)- 1210946 1247536 1275239 1230611 1324033 1258971 1406419 1392886 1484512 1555078 PALMITOLEIC ACID (M-H)- 90257 110659 146386 136861 136981 215050 113682 135986 97841 152872 PANTOTHENIC ACID (M+CL)- 793307 1365379 1411302 1021042 1376966 957471 660882 1082972 774806 1034868 PANTOTHENIC ACID (M-H)- 5751950 11400000 13600000 12300000 16700000 12300000 9916853 7953570 10900000 9635160 PHENYLALANINE (M-H)- 2180849 5970332 8660140 5821920 4677793 5031579 3701189 7303343 4963888 5167197 PHYTANIC ACID (M-H)- 11950 14681 15221 12872 13343 14993 16369 14419 17557 15912 PINITOL (M+CL)- 33203 43647 24191 14963 33036 33977 22111 40749 21803 PROTOPORPHYRIN (M-H)- 2281 2381 2054 1982 2982 2106 PTERIN (M-H)- 6919 8291 PYRUVIC ACID (M-H)- 107982 88638 12319 53018 43779 78366 39519 51698 47560 RAFFINOSE (M+CL)- 8046 8527 8893 18170 19026 32297 50566 5401 13916 9375 RIBOFLAVIN (M+CL)- 4343 4981 4156 4409 RIBOFLAVIN (M-H)- 4155 5040 2209 1660 4519 2515 5103 RIBOSE (M+CL)- 26550 24994 13322 20063 23182 21224 8517 27608 14859 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 9701 4521 10492 3117 SALICYLATE #2 (M-H)- 190463 156338 212236 204253 197029 150495 235767 225772 212251 204200 SEBACIC ACID (M-H)- 6533 8351 5371 5214 8961 SERINE (M-H)- 4598 11213 16182 8495 6002 5931 3529 11472 8442 5494 STACHYOSE (M+CL)- 2524 1451 1627 3038 9167 3635 4552 1179 1980 3036 STEARIC ACID (M-H)- 1328307 1361588 1414871 1298847 1291845 1384608 1491442 1510806 1635487 1679074 SUBERIC ACID (M-H)- 24569 25489 17132 23881 13667 39481 18221 16192 18847 37828 SUCCINIC ACID (M-H)- 191336 373303 468991 307654 291770 394030 296519 521903 356982 513760 SUCROSE (M+CL)- 40663 45822 10558 44848 61352 78206 97193 20523 56610 28760 TAURINE (M-H)- 13940 19990 27377 22943 19550 15947 12786 13934 17515 15437 THYMIDINE (M+CL)- 54340 454443 894264 332096 133398 262003 87763 511347 203767 363754 THYMIDINE (M-H)- 9962 72980 134117 44534 22586 39725 11631 71081 27294 53414 TRANS-ACONITIC ACID (M-H)- 50685 41006 223255 82267 51533 35283 30847 88662 38655 TRICARBALLYLIC ACID (M-H)-[-H2O] 11556 14852 13930 TRICOSANOIC ACID (M-H)- 3192 3626 3464 3231 4566 2589 3968 3094 4412 TRIDECANOIC ACID (M-H)- 3227 3288 3740 4014 3590 9070 9304 9561 TRYPTOPHAN (M-H)- 1842890 3243252 4698464 2945901 2623377 2863857 2429416 3588680 2937065 2778358 TYROSINE (M-H)- 808717 1910175 2434198 1721660 1295824 1604464 1330886 2038366 1640581 1390882 UNK_102.0325@0.6866251 26298 30229 15851 8264 27412 13560 38845 21102 30316 26793 UNK_104.0472@1.3967783 43433 15798 44666 41454 38456 154212 18636 38072 18086 UNK_106.0274@0.6770001 89493 103520 70947 50632 63665 79959 90276 58255 88017 68652 UNK_115.9959@0.49241683 33710 27177 26029 31161 29942 32061 33277 30882 36900 28985 UNK_116.0473@2.175614 1207087 894673 1245381 1189033 1182778 1138747 1156888 1052602 1047375 1022781 UNK_118.0264@1.0663847 261823 362928 472685 336968 345209 388078 309468 555305 349762 500156 UNK_118.0627@2.5012476 56159 12386 21780 24873 10566 16248 24725 22709 20314 78690 UNK_118.063@2.880162 20541 13104 64587 44208 29621 34376 58014 84428 56087 15415 UNK_120.0417@0.7950003 91468 60043 116426 93460 66930 132396 56426 95589 66877 105150 UNK_120.0431@0.6627001 68853 93841 59319 81078 29095 84344 105633 50498 90138 35745 UNK_129.0426@0.8419232 3069877 2428856 1947474 2507769 2588274 2880080 2968613 2527526 3189771 2610813 UNK_131.0579@1.2216923 102981 79751 94639 101581 84116 85649 72940 97075 77797 81003 UNK_131.0583@1.0046664 30863 20383 18197 15765 32080 UNK_132.0421@1.7856257 32652 22211 51026 35724 42090 25275 46949 41372 59156 UNK_132.0421@2.4298997 23006 41420 129718 54728 19710 25425 25020 53844 36398 42359 UNK_132.0784@6.1150455 104329 83512 278612 52397 107789 168009 46421 39110 69916 25890 UNK_132.0784@6.354863 130342 114704 251090 56532 163970 175018 35867 42042 87087 28469 UNK_132.0786@5.4818554 32283 30205 37142 28508 31455 32947 26935 32007 31480 31327 UNK_134.0571@1.4140997 26135 25345 23428 36218 16673 22126 21922 21636 21687 22744 UNK_135.9013@24.6092 40637 92290 97131 76995 77588 69593 51111 92478 48256 91981 UNK_136.0365@0.68466675 247272 820636 187173 293006 648245 70292 442742 147578 1301197 1038334 UNK_142.0038@0.6802003 51873 42197 34888 23807 28270 36976 30390 32255 39342 UNK_1422.514@8.517 14486 14806 15041 14832 13751 15011 13739 14029 14738 14584 UNK_146.0498@7.641884 32922 37776 36761 36101 35778 36662 34458 36025 35954 38438 UNK_146.0581@2.0644152 24032 20438 24019 39336 25481 29825 21673 27696 21941 26144 UNK_146.0584@1.7629995 55732 39547 36569 58432 50278 47213 37974 34746 39113 43497 UNK_147.9495@0.96900034 108902 15826 47076 61378 110166 84283 34789 42304 34252 103852 UNK_147.9898@0.7963334 299330 526955 429060 462233 301082 447852 293499 443840 292626 440778 UNK_148.051@2.4522288 22154 57398 83570 55523 46014 27031 38521 69095 48823 47258 UNK_148.0727@1.3520001 64089 99043 98528 84806 54873 75724 62301 122399 77961 69421 UNK_149.9565@0.48446164 40785 37834 34698 38555 38652 42760 40865 38978 41695 40874 UNK_1490.5011@8.518155 10402 9317 9564 10183 10299 9923 9663 10074 9984 9941 UNK_1490.7592@8.348087 7784 15486 33583 19056 12640 17435 8389 15307 11530 11028 UNK_150.0512@0.72183365 89856 84193 45745 39256 47730 122474 87984 2743 83109 23982 UNK_151.9922@0.9682868 14943 7517 30721 29361 38245 23983 8992 26076 10345 51211 UNK_152.0325@0.9394002 11284 17268 22526 25469 7231 21393 6997 34886 10981 35509 UNK_154.026@4.3958144 76018 100196 113889 111752 56885 75153 58799 100861 71372 108428 UNK_156.0166@0.82627296 97496 150881 170906 79153 87170 122183 94708 90499 UNK_156.018@0.65866685 53573 93429 61297 80141 24009 69564 58725 54641 82462 34078 UNK_159.9854@0.4909232 314012 239047 225638 291602 279502 310419 309301 284246 370114 281386 UNK_160.1094@11.731343 13824 14653 13638 11309 18975 17062 14741 14684 23473 UNK_160.1097@15.803971 440991 161627 805882 70482 205104 UNK_161.0507@1.8285815 337425 196620 520510 406431 791961 178831 401849 149101 305075 UNK_161.8491@0.47060007 40470 37090 31113 43637 50951 46666 43702 36097 31772 48720 UNK_162.0517@1.3501669 39790 51494 160141 75417 42711 62361 24737 106012 51176 66296 UNK_166.0395@2.8271048 84168 128937 85511 65193 88360 55630 93538 55148 90546 UNK_166.0398@7.4442115 37834 37714 37707 37242 36590 38143 37086 38514 38241 36143 UNK_166.0625@7.0399933 103502 54200 139993 72527 77016 66691 50548 83782 50785 45816 UNK_167.9865@0.9778574 57940 31054 153617 79640 86239 55618 27562 115029 27108 116942 UNK_168.0296@0.6621254 32372 157224 95829 43625 18161 44003 28758 41372 42178 46261 UNK_169.9964@5.5171924 371927 396244 416687 690866 339102 439078 436563 594954 694742 681938 UNK_172.034@1.4015996 56725 51019 68680 60342 38428 29262 51671 157553 54352 UNK_173.9985@2.9925342 309171 446980 697593 377203 287459 436785 439218 236684 396829 289892 UNK_1738.8071@10.401341 4441 8162 20732 13091 9472 11961 4025 10272 6741 8634 UNK_176.0333@0.7096671 235519 180952 415126 74326 152621 74664 144592 236794 139291 159765 UNK_1790.6353@8.517539 37171 36029 37487 36536 35845 35989 36170 37134 39525 38196 UNK_181.9798@0.53507704 132548 145822 136082 136915 143730 133169 140759 133030 126982 132613 UNK_186.0501@3.4525483 46170 33416 55644 40902 33967 45685 43296 36403 38648 34599 UNK_187.0008@1.1673846 115898 73029 51019 71085 78432 86605 106065 67296 108604 79020 UNK_188.014@5.3792734 175606 71510 106640 107032 89193 52414 37337 41561 80183 38512 UNK_188.0212@4.304829 90830 79463 95577 93213 75435 89540 93699 92442 97288 90040 UNK_188.0213@4.7172513 157475 131268 143052 161110 143221 156309 151774 150257 159213 143887 UNK_188.0492@0.81530774 386302 502476 641386 558662 485006 515995 343898 605411 414638 565913 UNK_188.0495@0.96190923 396457 87876 58899 590965 19615 26938 492202 72317 62445 33154 UNK_188.998@0.84318197 64076 43835 33395 48425 56861 54531 59862 43574 61445 48187 UNK_189.0995@2.4136333 20635 32428 50877 41028 29527 29678 21811 36467 31184 23447 UNK_189.9934@2.4761515 469266 897167 1238604 1103679 618739 926408 718272 767891 815652 837594 UNK_1890.0139@13.565562 12766 7161 3784 2095 UNK_193.0736@5.6053853 42603 26291 84887 22467 20486 14211 12055 14797 13357 12163 UNK_194.0946@15.161774 60360 58101 48583 61301 66405 62528 63781 49306 61832 60863 UNK_196.003@5.2892385 115099 113215 122053 122562 122790 119010 112782 118093 123456 121106 UNK_196.8176@0.70719975 843034 547260 202570 405430 693863 357554 969750 300927 642464 680690 UNK_197.0296@1.1689167 45843 31773 21413 31856 38180 40514 49927 28746 48273 37505 UNK_198.05@4.31106 180426 140354 185668 184235 170216 164722 184454 172701 145469 159282 UNK_198.05@4.7244387 316558 256725 313599 319650 308061 295723 304326 292727 297426 282700 UNK_199.0813@1.4153332 179487 336565 399904 352548 292994 318920 272889 390202 331490 331695 UNK_200.0766@0.5405386 20827 26316 22908 24794 24977 24735 18669 27174 24243 29134 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18086 36975 47550 38046 32038 38939 21892 43581 39574 32316 UNK_846.6377@25.709072 16728 39572 47559 45067 38034 35093 24187 33732 35822 40079 UNK_847.5554@24.677921 26595 78514 108394 98282 81488 106250 54051 90737 69057 84971 UNK_847.6042@24.22286 12173 6180 6450 6785 6441 6570 4011 UNK_847.6692@27.199284 18695 20812 33392 25567 29397 27538 19689 26656 26632 27532 UNK_848.6538@26.487535 40529 54865 100449 90342 52995 62543 41386 73696 64969 71147 UNK_849.6319@24.598642 1938 8821 3165 7053 4999 3645 UNK_849.6628@22.83244 5958 5344 5537 4746 6410 6113 6306 6112 6019 6949 UNK_850.2352@8.477171 5621 5318 4919 5512 5199 5972 4804 5257 5909 5716 UNK_850.2361@8.561921 7239 6326 6923 5512 7573 7289 8664 7874 7102 7314 UNK_850.4396@23.177526 4812 5321 4664 5136 5430 4905 5466 5407 6272 5571 UNK_850.6209@24.394537 6272 13622 27146 16520 18574 11069 20409 20348 16230 UNK_851.5681@24.27274 18554 66837 137535 76474 61523 111220 29234 71837 50383 85962 UNK_851.568@24.101501 17490 44212 29040 28785 53148 11499 35337 18091 38986 UNK_851.6063@22.664011 12639 65332 107939 65308 44505 57013 26361 70480 45049 58481 UNK_852.404@22.681137 1592 3400 3835 3544 2938 3011 2872 3074 3246 4561 UNK_853.584@24.466875 17465 81486 141116 95650 89945 141615 52692 133565 83843 123295 UNK_853.6629@25.372343 4194 10521 18685 11918 10353 12955 5663 12661 10374 8522 UNK_855.2693@22.084126 3232 7450 8523 6692 6219 7538 4492 8000 7618 8457 UNK_855.6805@26.068796 6910 19060 25668 17893 17012 20266 14585 27591 19959 13481 UNK_855.6@25.00099 108402 437274 700414 478804 364618 411777 275735 536702 419787 449120 UNK_856.4552@23.176403 5937 6316 6142 5944 6569 5695 6753 7028 6482 6465 UNK_856.6663@25.70738 70724 123584 183376 156764 129757 139177 92950 141194 107635 124833 UNK_857.6156@25.355177 17230 60514 53805 45701 46355 69122 30531 52001 16182 50435 UNK_857.616@25.528927 21787 27901 8404 9995 UNK_857.6954@27.201284 6907 16350 13879 21169 19979 19804 13231 20364 18112 22034 UNK_858.681@26.150822 18665 16611 9482 17351 11486 UNK_858.6838@26.486172 144991 324846 330982 320732 257719 343302 206368 368704 286711 320415 UNK_859.5478@24.378035 17991 22198 31521 37222 21246 38864 15324 25299 23991 33815 UNK_859.5972@25.316235 5598 22748 27796 21150 16966 27395 12720 29004 18185 22927 UNK_860.6984@27.05243 12033 21609 21917 16531 14622 23030 5926 29563 16192 20634 UNK_860.6986@27.799799 53056 105640 117915 140181 112966 152328 109724 142083 120890 156139 UNK_862.5541@24.594717 7770 6997 7873 7923 6490 7926 4590 7627 5885 7024 UNK_863.5456@24.817312 14780 37792 47723 41885 39472 50204 29878 47192 32664 46543 UNK_865.516@24.679552 19005 22820 16364 26965 13686 21845 15636 UNK_868.5068@24.025766 7180 16460 23779 19121 17801 9537 19941 16154 UNK_869.2695@3.5691538 8199 30389 47640 25277 20471 24928 18800 34833 26992 24307 UNK_869.5735@24.902548 9892 17321 12187 8162 11618 4895 9350 6735 9957 UNK_871.5553@24.396603 14822 46918 77645 63404 62680 77987 27864 58630 44594 69450 UNK_872.6228@25.334703 7940 14744 19534 15278 13821 18095 10828 15830 14295 16504 UNK_873.5717@24.816008 41095 118931 157085 134026 123520 180042 85909 140080 113825 150179 UNK_874.6539@22.829708 18140 20056 19060 17714 19135 21710 20225 20733 22177 24447 UNK_875.5631@24.048864 4284 16278 41294 24642 22065 39402 12820 28629 18002 34642 UNK_875.5866@25.450556 4976 20546 28684 23545 19194 26765 11262 23962 18230 21734 UNK_876.2869@3.5702844 13942 37447 55764 32077 27283 31405 24807 44397 31785 31237 UNK_876.5152@23.706942 6012 10665 6439 4252 6529 2076 7969 5088 6182 UNK_877.4822@24.522713 2270 8693 14908 9918 9911 12189 5530 12386 10119 10608 UNK_877.5823@24.391684 2089 8669 23281 10959 9089 21874 6057 12990 9343 12059 UNK_878.5325@24.025936 26025 49631 68564 53107 46413 50617 32316 56464 46981 51892 UNK_879.4964@24.746584 4553 4815 6479 7197 3332 5614 3647 5219 UNK_879.603@24.903961 14437 45700 89262 55083 38727 57878 22656 44077 34142 48657 UNK_880.5465@24.243185 4346 8378 12708 8893 7953 8169 5949 11402 9928 9930 UNK_880.6711@22.831633 5462 6442 6880 6494 7107 7241 6931 7414 7745 9693 UNK_881.4972@24.104836 2714 10732 13510 13458 9905 15083 5756 14805 9307 12401 UNK_881.6111@25.127449 2481 12295 23336 17368 21452 13068 8340 28758 12463 17145 UNK_881.6126@25.361324 6698 13124 8100 5193 7079 4696 7351 4974 UNK_883.4951@24.524462 8035 11353 6858 8692 8145 4194 9838 8677 7354 UNK_884.5476@24.02664 19856 37160 48411 39838 34347 36472 25059 42595 32723 38526 UNK_885.5271@24.341951 21221 18656 24110 UNK_889.5603@25.07162 4523 18664 18157 18583 23962 35716 16477 16331 20689 30983 UNK_890.762@23.173866 6749 7406 7070 5879 7256 8386 6805 7958 10604 12375 UNK_891.5293@24.817312 6776 17485 13078 19241 19603 31056 12988 19646 15206 21964 UNK_891.5769@25.636763 12778 15156 13337 9917 20546 7575 16412 12679 13674 UNK_892.629@22.828377 4872 4592 4564 4081 5229 4704 5694 4982 6093 6343 UNK_895.5556@24.343092 15707 67521 116986 86441 76618 94229 41218 93142 73251 94929 UNK_896.5064@24.025751 2900 7866 10690 7023 6506 7647 4634 9153 7158 7226 UNK_896.7788@23.173153 2700 3910 3211 2804 3042 3887 2946 3932 4705 5887 UNK_897.5066@24.971975 1855 5463 9601 8764 8174 18123 5819 8466 13642 UNK_897.5736@24.60739 9063 63734 97860 81906 66164 99480 23051 78807 55217 99555 UNK_897.5966@23.702545 2505 7744 14102 9488 7427 6937 3840 10604 7400 8929 UNK_899.5037@24.679466 2173 7717 10249 9102 8172 8839 5626 8386 7359 8948 UNK_899.5871@25.071566 10866 64731 100963 80629 66735 95028 39523 76540 60233 75730 UNK_90.0321@0.8264617 2489192 3487008 4897610 3284837 2749996 2822338 2124212 4008210 2360416 2955770 UNK_90.0324@0.94999945 461951 363574 631597 507662 291740 492876 939213 1117146 657610 504480 UNK_900.6553@26.359861 13424 25551 31981 29855 24477 31598 19114 29622 24298 28219 UNK_901.6022@25.636955 8720 31040 45029 33836 29227 49987 20136 37510 28279 37599 UNK_902.5664@24.595718 2432 6150 8377 7007 6268 5954 4848 5339 7699 UNK_903.523@24.979387 2324 8862 7838 12940 11123 19139 8730 11319 8419 16943 UNK_905.5091@25.232954 3168 10228 18110 15595 9342 15820 5595 14019 10125 11454 UNK_907.5114@24.23127 3262 16270 22406 18607 17663 28287 11713 20396 16249 21175 UNK_907.5994@24.604753 4450 28654 52389 38383 26138 42078 8530 40717 22805 34357 UNK_907.6239@23.702278 2305 7532 14063 9980 7734 6462 4028 12492 8126 8695 UNK_908.7345@23.176174 11789 13165 12342 10248 12872 13571 13627 14198 16252 18915 UNK_909.5251@24.677769 12282 34293 43237 40751 32809 40883 21132 38736 31050 37609 UNK_911.5285@25.236225 9499 12756 7094 7409 8366 4441 8006 8644 8654 UNK_912.2108@8.563074 5366 6242 5243 5324 6295 6078 6753 6327 7124 6175 UNK_912.5771@24.581705 4052 13618 14865 12517 13897 11810 10440 16232 15183 13223 UNK_913.5268@24.227743 1122 23614 38445 32152 29380 42969 16333 34078 23761 33532 UNK_913.5585@25.001465 9696 24906 34102 37253 26573 20820 19643 36983 21393 34211 UNK_914.5889@23.163538 1457 4984 1745 5979 5686 6931 3609 3328 3867 4980 UNK_914.6244@25.706675 5402 12190 14657 13688 12349 10273 6819 15519 11954 11945 UNK_915.5427@24.67923 10898 32498 37416 37265 28940 35290 19201 32639 26575 34079 UNK_915.6113@25.941048 17197 30734 40347 28071 23724 36612 21416 36324 26936 31313 UNK_916.6413@26.486137 17814 37971 35281 30158 19763 21950 27915 32967 25346 42458 UNK_917.5448@25.070759 3148 10586 19425 14820 11580 15243 5787 13133 10191 13039 UNK_918.617@26.361034 9499 19617 27647 23391 22199 24882 15207 23902 19547 25007 UNK_919.5533@24.273087 4200 12000 30173 17356 12860 23151 5930 14143 10106 18081 UNK_919.5611@25.635077 2720 9860 11349 9665 7321 13762 6039 12328 8785 10158 UNK_919.5907@22.663141 1679 7488 10836 7320 4689 6296 2891 7969 5235 6923 UNK_921.4757@24.611794 4364 6495 8333 6316 8819 3485 6537 3278 4357 UNK_921.5693@24.469238 2463 16526 34335 27958 21438 37756 9816 30227 20069 29256 UNK_923.5863@25.001295 23147 104508 151374 110149 88451 98311 60916 117743 95769 105367 UNK_924.6548@25.70623 14489 35526 54985 40644 33233 40493 20987 40624 31683 34711 UNK_925.5171@24.817118 5380 18530 22525 24906 22053 17805 12438 22853 16742 22178 UNK_926.6705@26.48694 37883 73817 90114 67817 58544 77634 42883 86207 59984 70704 UNK_928.6859@27.801264 13856 26317 25658 32167 26542 33401 24187 32882 23681 36471 UNK_931.5315@24.8167 4333 18568 22691 19670 19426 22570 14750 22791 17773 22145 UNK_933.5235@24.39669 6048 18793 28367 24041 23907 27055 10221 21667 15306 27624 UNK_933.7573@23.17643 5620 5267 5540 4185 5346 5570 5721 5532 6419 6555 UNK_935.5406@24.816162 15903 45106 56515 51136 47976 66251 33758 54831 43300 56703 UNK_936.3709@3.2728074 33353 54162 64310 36362 23615 40636 27534 29858 30278 48537 UNK_936.4921@24.027395 6206 12621 14983 11630 10744 7969 13011 10559 12391 UNK_936.6248@22.830873 5441 5448 5755 5222 6087 6190 6453 6868 7091 7527 UNK_937.559@25.449179 7456 11514 9613 7196 11778 4454 9060 6339 8039 UNK_939.5432@24.398607 5339 18350 30280 25392 23043 33357 11858 22433 18036 26952 UNK_939.6068@25.367147 18393 28630 19407 19161 21664 20405 18057 UNK_941.5432@24.999634 19216 27185 20761 21662 UNK_941.5573@24.815775 20281 34180 45486 42245 58639 73622 42752 42851 56324 67615 UNK_941.6274@26.071497 18490 46705 61880 31955 35062 50385 25831 54165 37962 39334 UNK_942.3887@3.2714486 10530 32635 24297 11048 20988 13184 6353 10212 8899 18039 UNK_942.6152@25.707542 6870 14601 22230 16863 15330 16098 9023 17290 13620 13455 UNK_942.6393@22.830555 9180 10090 9816 9317 10596 10456 11315 10862 11857 12165 UNK_943.6411@27.199013 18569 30367 29928 36493 35036 35672 24066 37171 30501 34140 UNK_944.6298@26.48875 20300 38767 44814 21537 33678 14247 15876 24932 35029 23445 UNK_945.4668@24.523643 8773 12973 8146 9099 10371 4642 10884 8782 9498 UNK_946.518@24.026934 18878 33863 44609 36741 32543 34212 24256 38743 34438 34720 UNK_947.4971@24.342724 9985 15790 7174 12025 11994 12785 UNK_947.5884@24.902754 2909 11641 23243 12984 9998 13901 5828 11486 8376 12278 UNK_948.5333@24.241772 3701 9891 11388 10307 7467 7011 7811 11954 7800 8766 UNK_948.618@22.262562 4658 28598 50265 27326 15206 30258 8040 30593 15116 26762 UNK_948.6627@22.833506 3179 4839 6063 4475 5007 4960 4674 5039 5604 6347 UNK_949.4819@24.106737 1611 9283 12079 11707 9267 13604 4817 11336 8165 11046 UNK_952.5354@24.027395 8002 13871 16163 14268 13918 13593 10130 15386 14495 14039 UNK_953.513@24.342752 10275 15420 13428 9395 10043 7827 11127 11972 UNK_956.9825@0.6602498 46285 47736 46789 47270 76731 65476 37078 43492 108882 48316 UNK_957.5243@24.344015 8750 31812 51890 37891 34806 42710 18664 33174 30903 38466 UNK_957.5422@25.075144 6452 11292 9619 3380 9291 4889 9627 8168 6751 UNK_958.7499@23.173866 7945 9026 9005 7396 8705 9650 7835 9443 12232 14264 UNK_961.5564@25.071756 6646 26099 39693 33493 28252 38215 16632 32086 25093 32485 UNK_962.6271@26.362183 9847 14294 17864 15283 12095 15796 11038 16432 13168 15244 UNK_963.5412@24.342636 6224 23623 38065 28087 25799 26708 14743 30917 25995 30012 UNK_963.5733@25.634941 2656 12906 17835 12893 10811 19651 8075 15404 11402 14980 UNK_965.4949@24.972277 5168 7983 7657 8129 14087 6431 7355 4267 10483 UNK_967.4934@24.678143 5284 14507 16854 14583 11428 15692 10067 16576 13253 15900 UNK_967.5731@25.073591 7307 21876 35643 28069 23187 35909 15772 30980 23241 30335 UNK_968.644@26.360981 6639 11474 14095 12428 10318 13022 9112 12859 11103 13980 UNK_969.5886@25.637758 2642 10725 16766 12867 10713 19374 8228 13791 11091 14230 UNK_973.4985@25.23377 1829 8083 11707 7379 7704 9282 5086 8738 8061 9134 UNK_974.5501@24.578773 6500 11703 13967 10792 11704 10969 9984 12637 12086 12506 UNK_974.6338@22.276222 6391 11203 5513 2740 5273 1599 6836 3045 4937 UNK_975.4973@24.232605 2920 18208 27554 25066 22800 30772 12798 23124 18525 25059 UNK_975.5288@25.00427 12108 17333 11292 10134 12036 7249 13775 9167 12889 UNK_977.5131@24.678001 10631 30502 37006 36751 30757 43131 21702 35554 29122 35217 UNK_978.5689@22.110474 4833 7760 3621 2945 5159 1466 2040 UNK_981.5187@24.264668 14038 27853 16882 15378 26323 8855 11569 14069 21294 UNK_981.5435@25.003462 4240 17781 19296 15993 12581 8390 10421 17000 14219 14869 UNK_983.5315@24.67965 5144 11272 15156 14277 12504 8275 8888 14456 12494 12466 UNK_983.5393@24.469072 6797 15352 9652 8465 15260 3192 9883 6344 8012 UNK_984.6283@26.486671 7539 16882 27711 17437 12821 21008 11113 12143 11461 16668 UNK_985.5561@25.00303 11315 41943 64883 48279 38508 45529 27048 50355 41070 44765 UNK_986.6244@25.705164 7444 16281 26505 15132 16878 20388 10244 18834 15302 17997 UNK_988.6402@26.487404 17725 41740 30745 41537 18990 44835 28015 29028 37920 28004 UNK_989.5562@24.471962 7187 13256 8802 7697 12850 11342 6371 10477 UNK_991.573@25.001759 8614 34469 44925 34885 29523 29416 21531 37340 33475 34309 UNK_992.6426@25.706995 6111 13272 21465 15116 13832 14843 8689 14450 11185 13261 UNK_993.5022@24.818977 7567 18235 23562 22870 19208 21923 13365 19068 15738 20824 UNK_994.3277@3.2709973 6499 19513 15981 5748 14565 7757 3770 14605 4608 9368 UNK_994.6567@26.48847 11016 33377 41079 32827 27331 35753 22290 36948 28758 33177 UNK_996.6185@22.121706 1748 23515 38809 19271 6289 14275 2397 25430 8429 11437 UNK_996.6652@19.54854 12463 12852 14809 13387 13436 12389 13396 14618 15556 14448 UNK_996.6671@19.889658 206522 202758 233789 223409 226146 215323 210372 226152 245141 238503 URIC ACID (M-H)- 42488 85652 27861 40266 56324 57495 31554 134545 44763 54026 URIDINE (M+CL)- 379997 2564724 3253967 1739212 1071755 1970482 676096 2862815 1121093 2327155 URIDINE (M-H)- 72705 280717 321272 226008 166353 260235 79640 236656 151907 187914 VALINE (M-H)- 10103 32809 72631 35836 33082 47166 37395 44515 25503 39253 XANTHINE (M-H)- 92579 167228 277101 216030 204490 187360 123497 238390 164407 284915 XANTHOSINE (M-H)- 4445 7539 4825 ZEATIN [ISTD] (M+CL)- 409196 411419 431048 439349 428365 424573 428413 418433 428341 451312 ZEATIN [ISTD] (M-H)- 249001 259299 255911 253241 61273 271048 268627 263177 264661 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 16:0 LYSO PC (M+CL)- 495.3329 22.254 460602 16:0-18:0 PC (M+CL)- 761.5939 25.454 18631368 18:0 LYSO-PE (M-H)- 481.3173 22.651 9547068 2'-DEOXYINOSINE (M-H)- 252.0833 2.058 65058 2-DEOXY-D-GLUCOSE (M+CL)- 164.0692 0.662 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 118.0629 3.496 853180 2-HYDROXYBUTYRIC ACID (M-H)- 104.0475 1.748 11266 24:0 SM (D18:1/24:0) (M+CL)- 814.6969 27.806 44260127 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 182.0574 3.807 440177 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 162.051 1.603 1662 3-METHOXYTYROSINE (M-H)- 211.0833 1.972 9307 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0631 4.301 440877 3-UREIDOPROPIONIC ACID (M-H)- 132.0512 0.867 111 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0631 4.704 70 4-NITROPHENOL (M-H)- 139.0268 6.988 980 4-PYRIDOXIC ACID (M-H)- 183.0517 1.848 6723 5'-METHYLTHIOADENOSINE (M+CL)- 297.089 4.471 439176 5-AMINOPENTANOIC ACID (M-H)- 117.0781 0.714 138 5-HYDROXYTRYPTOPHAN (M-H)- 220.0848 1.753 439280 5-METHYLTETRAHYDROFOLIC ACID (M-H)- 459.1853 3.666 9825434 5-OXOPROLINE (M-H)- 129.0424 1.171 7405 ADENOSINE (M+CL)- 267.0949 1.754 60961 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 347.06 0.905 6083 ADIPIC ACID (M-H)- 146.0596 3.555 196 ALLANTOIN (M-H)- 158.0435 0.639 439714 ARACHIDIC ACID (M-H)- 312.3021 23.594 10467 ARACHIDONIC ACID (M-H)- 304.2408 22.693 444899 ASPARAGINE (M-H)- 132.0543 0.619 6267 AZELAIC ACID (M-H)- 188.1044 10.769 2266 BEHENIC ACID (M-H)- 340.3339 24.112 8215 BILIVERDIN (M-H)- 582.2537 18.689 5280353 BIOTIN (M+CL)- 244.0888 6.272 11966127 BIOTIN (M-H)- 244.0878 6.27 11966127 CHOLIC ACID (M-H)- 408.2866 20.449 221493 CIS-11-EICOSENOIC ACID (M-H)- 310.2869 23.253 5282768 CIS-ACONITIC ACID (M-H)- 174.0166 1.449 643757 CITRIC ACID (M-H)- 192.0269 1.008 311 CITRULLINE (M-H)- 175.0981 0.627 9750 CORTICOSTERONE (M+CL)- 346.2142 15.464 5753 DECANOIC ACID (M-H)- 172.1457 19.894 2969 DEHYDROASCORBIC ACID (M+CL)- 174.0178 0.658 440667 DEHYDROASCORBIC ACID (M-H)- 174.016 0.832 440667 DEOXYADENOSINE (M+CL)- 251.1006 1.774 13730 DEOXYCYTIDINE (M+CL)- 227.0886 0.92 13711 DEOXYURIDINE (M+CL)- 228.0751 1.592 13712 DEOXYURIDINE (M-H)- 228.0739 1.562 13712 DOCOSAHEXAENOIC ACID (M-H)- 328.2407 22.673 445580 DUMP (M-H)- 308.0428 0.978 65063 EPIBRASSINOLIDE [ISTD] (M+CL)- 480.3457 19.891 115196 ERUCIC ACID (M-H)- 338.3182 23.663 5281116 FUMARIC ACID (M-H)- 116.0108 1.221 444972 GALACTARIC ACID (M-H)- 210.0395 0.637 3037582 GERANYLGERANYL DIPHOSPHATE (M-H)- 450.1908 23.225 447277 GLUCONIC ACID (M-H)- 196.057 0.655 10690 GLUCOSE (M+CL)- 180.064 0.626 5793 GLUTAMINE (M-H)- 146.0686 0.596 5961 GLUTARIC ACID (M-H)- 132.0423 2.041 743 GLUTATHIONE (OXIDIZED) (M-H)- 612.152 1.35 65359 GLYCERIC ACID (M-H)- 106.0265 0.798 439194 GLYCOCHOLIC ACID (M-H)- 465.3087 18.975 10140 GUANINE (M-H)- 151.0489 0.766 764 GUANOSINE (M-H)- 283.0914 1.806 6802 HEPTADECANOIC ACID (M-H)- 270.2556 22.998 10465 HEXACOSANOIC ACID (M-H)- 396.3968 25.771 10469 HIPPURIC ACID (M-H)- 179.0579 4.792 464 HOMOVANILLIC ACID (2M-H)- 182.0586 5.728 1738 HYODEOXYCHOLIC ACID (M-H)- 392.2955 22.874 5283820 HYPOXANTHINE (M-H)- 136.0369 1.037 790 INOSINE (M-H)- 268.0806 1.802 6021 INOSINE 5'-DIPHOSPHATE (M-H)- 428.0169 0.71 6831 ISOCITRIC ACID (M-H)- 192.0267 0.707 5318532 ISOLEUCINE (M-H)- 131.0943 1.465 6306 KYNURENIC ACID (M-H)- 189.0411 4.874 3845 KYNURENINE (M-H)- 208.0825 2.16 161166 L-ARGININE (M-H)- 174.1108 0.596 6322 L-HISTIDINE (M-H)- 155.0689 0.582 6274 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 206.0841 3.573 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 138.0445 5.292 227 LAURIC ACID (M-H)- 200.1773 21.764 3893 LEUCINE (M-H)- 131.0945 1.523 6106 LIGNOCERIC ACID (M-H)- 368.3655 24.813 11197 LINOLEIC ACID (M-H)- 280.2405 22.709 5280450 LYSINE (M-H)- 146.1045 0.562 5962 MALEIC ACID (M-H)- 116.0115 0.946 444266 MALIC ACID (M-H)- 134.0212 0.78 222656 MANDELIC ACID (M-H)- 152.0469 5.634 11914 METHIONINE (M-H)- 149.0502 0.921 6137 METHYL BETA-D-GALACTOSIDE (M+CL)- 194.0781 0.862 94214 MEVALONIC ACID (M-H)- 148.0724 1.567 439230 MYRISTIC ACID (M-H)- 228.2088 22.442 11005 MYRISTOLEIC ACID (M-H)- 226.1932 22.085 5281119 N-ACETYL-D-GLUCOSAMINE (M+CL)- 221.0912 0.65 446101 N-ACETYL-L-ALANINE (M-H)- 131.0575 1.456 88064 N-ACETYL-L-LEUCINE (M-H)- 173.1047 7.156 75619 N-ACETYL-L-PHENYLALANINE (M-H)- 207.0884 7.698 74839 N-ACETYLGLYCINE (M-H)- 117.0416 0.892 1097 N-ACETYLNEURAMINIC ACID (M-H)- 309.1051 0.663 444885 NERVONIC ACID (M-H)- 366.3493 24.188 5281120 O-PHOSPHO-SERINE (2M-H)+ 185.0107 0.718 68841 O-SUCCINYL-L-HOMOSERINE (M-H)- 219.0733 0.836 439406 OLEIC ACID (M-H)- 282.2565 22.91 445639 ORNITHINE (M-H)- 132.0888 0.564 6262 OROTIC ACID (M-H)- 156.0161 0.834 967 OXALIC ACID (M-H)- 89.9962 0.603 971 OXALOACETIC ACID (M-H)-[-H2O] 132.0035 0.541 970 PALMITIC ACID (M-H)- 256.2406 22.833 985 PALMITOLEIC ACID (M-H)- 254.2245 22.568 445638 PANTOTHENIC ACID (M+CL)- 219.1105 3.276 6613 PANTOTHENIC ACID (M-H)- 219.1108 3.274 6613 PHENYLALANINE (M-H)- 165.0789 2.47 6140 PHYTANIC ACID (M-H)- 312.3012 23.26 10380830 PINITOL (M+CL)- 194.0817 0.658 164619 PROTOPORPHYRIN (M-H)- 562.2571 22.926 4971 PTERIN (M-H)- 163.0481 1.519 73000 PYRUVIC ACID (M-H)- 88.0164 0.691 1060 RAFFINOSE (M+CL)- 504.1698 0.655 439242 RIBOFLAVIN (M+CL)- 376.1379 7.62 493570 RIBOFLAVIN (M-H)- 376.1369 7.622 493570 RIBOSE (M+CL)- 150.0531 0.644 5779 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 384.1159 1.474 439155 SALICYLATE #2 (M-H)- 138.0315 8.188 338 SEBACIC ACID (M-H)- 202.1201 13.008 5192 SERINE (M-H)- 105.0428 0.597 617 STACHYOSE (M+CL)- 666.218 0.661 439531 STEARIC ACID (M-H)- 284.272 23.185 5281 SUBERIC ACID (M-H)- 174.0887 8.27 10457 SUCCINIC ACID (M-H)- 118.0264 1.298 1110 SUCROSE (M+CL)- 342.1177 0.651 5988 TAURINE (M-H)- 125.0146 0.586 1123 THYMIDINE (M+CL)- 242.0901 2.743 5789 THYMIDINE (M-H)- 242.09 2.739 5789 TRANS-ACONITIC ACID (M-H)- 174.0162 1.121 444212 TRICARBALLYLIC ACID (M-H)-[-H2O] 176.0294 1.366 14925 TRICOSANOIC ACID (M-H)- 354.3494 24.429 17085 TRIDECANOIC ACID (M-H)- 214.1926 22.152 12530 TRYPTOPHAN (M-H)- 204.0873 3.573 6305 TYROSINE (M-H)- 181.0734 1.286 6057 UNK_102.0325@0.6866251 102.0318 0.685 UNK_104.0472@1.3967783 104.0472 1.399 UNK_106.0274@0.6770001 106.0268 0.679 UNK_115.9959@0.49241683 115.996 0.493 UNK_116.0473@2.175614 116.0473 2.163 UNK_118.0264@1.0663847 118.0263 1.062 UNK_118.0627@2.5012476 118.0629 2.502 UNK_118.063@2.880162 118.063 2.877 UNK_120.0417@0.7950003 120.0418 0.789 UNK_120.0431@0.6627001 120.0433 0.66 UNK_129.0426@0.8419232 129.0423 0.84 UNK_131.0579@1.2216923 131.0578 1.219 UNK_131.0583@1.0046664 131.0574 1.001 UNK_132.0421@1.7856257 132.0421 1.772 UNK_132.0421@2.4298997 132.0421 2.419 UNK_132.0784@6.1150455 132.0784 6.121 UNK_132.0784@6.354863 132.0785 6.359 UNK_132.0786@5.4818554 132.0787 5.486 UNK_134.0571@1.4140997 134.057 1.415 UNK_135.9013@24.6092 135.9012 24.622 UNK_136.0365@0.68466675 136.0374 0.658 UNK_142.0038@0.6802003 142.0029 0.682 UNK_1422.514@8.517 1422.5138 8.516 UNK_146.0498@7.641884 146.0497 7.64 UNK_146.0581@2.0644152 146.0583 2.065 UNK_146.0584@1.7629995 146.0585 1.756 UNK_147.9495@0.96900034 147.9496 0.962 UNK_147.9898@0.7963334 147.99 0.793 UNK_148.051@2.4522288 148.0515 2.468 UNK_148.0727@1.3520001 148.0726 1.344 UNK_149.9565@0.48446164 149.9564 0.483 UNK_1490.5011@8.518155 1490.4991 8.521 UNK_1490.7592@8.348087 1490.7585 8.345 UNK_150.0512@0.72183365 150.053 0.676 UNK_151.9922@0.9682868 151.9923 0.97 UNK_152.0325@0.9394002 152.0323 0.951 UNK_154.026@4.3958144 154.0258 4.396 UNK_156.0166@0.82627296 156.0164 0.857 UNK_156.018@0.65866685 156.018 0.658 UNK_159.9854@0.4909232 159.9853 0.492 UNK_160.1094@11.731343 160.1093 11.732 UNK_160.1097@15.803971 160.1096 15.806 UNK_161.0507@1.8285815 161.0507 1.837 UNK_161.8491@0.47060007 161.8489 0.468 UNK_162.0517@1.3501669 162.0515 1.348 UNK_166.0395@2.8271048 166.0398 2.82 UNK_166.0398@7.4442115 166.0403 7.471 UNK_166.0625@7.0399933 166.0624 7.04 UNK_167.9865@0.9778574 167.9862 0.981 UNK_168.0296@0.6621254 168.0277 0.661 UNK_169.9964@5.5171924 169.9964 5.515 UNK_172.034@1.4015996 172.0341 1.391 UNK_173.9985@2.9925342 173.9985 2.992 UNK_1738.8071@10.401341 1738.8079 10.404 UNK_176.0333@0.7096671 176.0344 0.686 UNK_1790.6353@8.517539 1790.6355 8.517 UNK_181.9798@0.53507704 181.9799 0.538 UNK_186.0501@3.4525483 186.05 3.485 UNK_187.0008@1.1673846 187.0009 1.172 UNK_188.014@5.3792734 188.0141 5.377 UNK_188.0212@4.304829 188.0211 4.302 UNK_188.0213@4.7172513 188.0216 4.708 UNK_188.0492@0.81530774 188.0489 0.813 UNK_188.0495@0.96190923 188.0493 0.984 UNK_188.998@0.84318197 188.998 0.843 UNK_189.0995@2.4136333 189.0993 2.412 UNK_189.9934@2.4761515 189.9934 2.477 UNK_1890.0139@13.565562 1890.0146 13.562 UNK_193.0736@5.6053853 193.0737 5.609 UNK_194.0946@15.161774 194.0943 15.153 UNK_196.003@5.2892385 196.0032 5.293 UNK_196.8176@0.70719975 196.818 0.705 UNK_197.0296@1.1689167 197.0301 1.17 UNK_198.05@4.31106 198.0499 4.303 UNK_198.05@4.7244387 198.0499 4.707 UNK_199.0813@1.4153332 199.0815 1.503 UNK_200.0766@0.5405386 200.0763 0.544 UNK_201.0552@2.4504268 201.055 2.463 UNK_202.0025@0.9666258 202.0024 0.961 UNK_202.0298@8.159417 202.0298 8.152 UNK_202.0454@0.9393078 202.0454 0.949 UNK_202.045@0.8102309 202.0449 0.806 UNK_203.1156@3.575895 203.1155 3.583 UNK_203.1156@8.2273855 203.1152 8.222 UNK_204.0091@3.810066 204.0092 3.81 UNK_204.0092@3.9925678 204.0093 3.992 UNK_205.0941@1.2762307 205.0942 1.275 UNK_205.0944@1.5538334 205.0943 1.555 UNK_206.0319@5.287736 206.0319 5.293 UNK_206.0424@1.5493996 206.0423 1.549 UNK_207.009@0.757143 207.0084 0.759 UNK_208.0584@0.6567504 208.0593 0.656 UNK_209.9839@0.7999 209.9825 0.811 UNK_210.0788@0.670778 210.0798 0.664 UNK_211.0824@2.4591675 211.0822 2.467 UNK_213.0092@3.3053007 213.0092 3.307 UNK_213.0094@3.5602372 213.0093 3.556 UNK_213.9863@5.5171924 213.9863 5.515 UNK_214.009@1.0188566 214.0077 1.014 UNK_214.0928@0.5460001 214.0927 0.556 UNK_217.9442@0.49127263 217.9446 0.505 UNK_219.1109@3.0782187 219.1109 3.08 UNK_222.0193@0.8307999 222.0197 0.917 UNK_222.1253@15.108169 222.1252 15.104 UNK_223.0372@2.4580894 223.0372 2.462 UNK_223.995@1.3927002 223.9951 1.391 UNK_224.1042@13.359123 224.1044 13.362 UNK_226.1558@14.63068 226.1557 14.629 UNK_227.973@0.5113078 227.973 0.508 UNK_229.038@1.8299994 229.038 1.837 UNK_229.1673@14.204007 229.1672 14.207 UNK_230.0398@1.0626924 230.0396 1.058 UNK_230.0759@1.403818 230.076 1.39 UNK_232.9717@0.81525016 232.9714 0.882 UNK_233.0661@2.4564593 233.0662 2.466 UNK_233.1259@4.9650764 233.126 4.982 UNK_234.1617@19.718716 234.1617 19.719 UNK_235.1045@1.455923 235.1044 1.45 UNK_236.0793@2.473664 236.0798 2.504 UNK_236.1773@21.816977 236.1772 21.819 UNK_237.0996@8.723912 237.0995 8.726 UNK_239.0326@1.2766154 239.0335 1.286 UNK_240.135@16.95924 240.1345 16.96 UNK_240.1513@8.518154 240.1513 8.519 UNK_241.052@1.1661425 241.0506 1.168 UNK_241.0564@0.8345385 241.0556 0.832 UNK_242.0623@3.5677605 242.0622 3.571 UNK_242.2241@22.646091 242.2245 22.609 UNK_243.1832@15.856024 243.1832 15.856 UNK_244.0686@0.89707696 244.0686 0.901 UNK_244.2041@21.81552 244.2041 21.818 UNK_244.9324@0.96862566 244.9318 0.968 UNK_244.9662@0.84600013 244.9664 0.847 UNK_245.9715@0.49033356 245.9715 0.49 UNK_246.1213@2.1361656 246.1211 2.121 UNK_246.1214@2.4519978 246.1211 2.453 UNK_248.9911@1.1719996 248.991 1.172 UNK_249.0608@1.2678994 249.0605 1.272 UNK_249.9853@1.0195998 249.9853 1.013 UNK_249.985@0.7138334 249.9851 0.705 UNK_250.0938@3.569982 250.0932 3.57 UNK_250.095@6.458277 250.0951 6.465 UNK_250.1201@15.556674 250.1199 15.552 UNK_250.1562@21.930107 250.1575 21.932 UNK_250.193@22.113085 250.1929 22.109 UNK_251.152@21.105164 251.1519 21.109 UNK_252.0999@14.543652 252.1001 14.542 UNK_252.1002@15.360915 252.1017 15.364 UNK_252.2083@22.354017 252.2083 22.324 UNK_254.0577@11.700524 254.0579 11.702 UNK_254.0993@1.4716362 254.0995 1.478 UNK_254.1514@14.905924 254.1513 14.911 UNK_255.087@3.552453 255.087 3.53 UNK_256.0864@17.211872 256.0863 17.209 UNK_256.9668@1.455091 256.9667 1.464 UNK_258.0355@1.0649997 258.036 1.066 UNK_260.0206@4.310291 260.0206 4.3 UNK_260.0206@4.7146864 260.0205 4.709 UNK_260.1369@4.571613 260.1369 4.577 UNK_261.0308@0.73871404 261.0307 0.733 UNK_261.0358@1.3467493 261.0342 1.347 UNK_261.0649@0.9192222 261.0653 0.921 UNK_261.0663@2.454998 261.0664 2.469 UNK_262.0483@3.5668373 262.0484 3.576 UNK_262.1101@5.2267165 262.11 5.229 UNK_263.937@0.489 263.9373 0.493 UNK_264.0511@1.4664267 264.0511 1.454 UNK_265.1173@3.864066 265.1172 3.862 UNK_268.0025@5.2897134 268.0025 5.286 UNK_268.0768@0.7450002 268.0761 0.778 UNK_268.1214@16.582224 268.1211 16.585 UNK_268.1214@18.464718 268.1215 18.466 UNK_268.1225@16.365955 268.1228 16.363 UNK_268.2393@22.898266 268.2388 22.899 UNK_268.2398@22.752897 268.2396 22.754 UNK_270.0175@8.15631 270.0173 8.154 UNK_270.0511@0.9674295 270.0515 0.964 UNK_270.0656@0.6604003 270.0653 0.656 UNK_270.0941@0.80438465 270.0946 0.8 UNK_270.0942@0.98136353 270.0939 0.981 UNK_270.2192@21.48292 270.219 21.485 UNK_270.2192@22.056183 270.219 22.054 UNK_270.2193@21.131865 270.2197 21.133 UNK_271.214@18.558628 271.2135 18.56 UNK_271.9669@0.7118999 271.9668 0.705 UNK_271.968@1.0246663 271.9685 1.014 UNK_272.0773@3.5665298 272.0774 3.575 UNK_272.2348@21.610819 272.2349 21.613 UNK_272.2348@22.258099 272.2349 22.259 UNK_272.2349@21.861563 272.235 21.865 UNK_272.2351@21.363373 272.2351 21.363 UNK_272.2352@22.42734 272.2352 22.428 UNK_273.1573@12.232186 273.1578 12.237 UNK_273.1938@16.165882 273.1937 16.165 UNK_273.966@0.49390015 273.966 0.499 UNK_274.0797@1.5409081 274.0799 1.568 UNK_274.1937@22.115889 274.1939 22.117 UNK_274.2158@22.44026 274.2158 22.441 UNK_276.072@2.0984967 276.0716 2.158 UNK_276.1723@20.111036 276.1722 20.111 UNK_276.2088@22.390831 276.2083 22.392 UNK_277.0773@1.2855551 277.0799 1.292 UNK_278.0933@2.0037253 278.0936 1.997 UNK_278.1515@15.350399 278.1515 15.351 UNK_278.1537@20.097908 278.1535 20.1 UNK_278.1879@19.838829 278.188 19.84 UNK_278.2243@22.509846 278.2244 22.51 UNK_280.9987@1.8289982 280.9988 1.834 UNK_282.0524@0.90166634 282.0506 0.904 UNK_282.0801@0.538154 282.0802 0.541 UNK_282.1079@4.7073617 282.1078 4.705 UNK_282.1088@4.301137 282.1104 4.303 UNK_283.1056@19.295042 283.1046 19.298 UNK_284.116@23.224232 284.1165 23.228 UNK_284.1404@6.6024 284.1398 6.603 UNK_284.1417@8.515662 284.1418 8.519 UNK_284.1705@1.464876 284.1704 1.491 UNK_284.2536@22.67154 284.2534 22.675 UNK_285.0222@2.454425 285.0221 2.427 UNK_285.1319@4.1321383 285.1319 4.138 UNK_286.168@22.441336 286.1679 22.442 UNK_286.9231@1.8244532 286.9233 1.831 UNK_288.0956@2.7336888 288.0956 2.742 UNK_289.9434@0.47738472 289.9437 0.476 UNK_290.0746@1.3368176 290.0749 1.34 UNK_290.1133@15.108091 290.1137 15.109 UNK_291.008@1.8308556 291.0078 1.837 UNK_292.1309@14.697518 292.1306 14.699 UNK_292.2166@22.83094 292.2158 22.832 UNK_294.0614@0.6515001 294.0615 0.652 UNK_294.0616@2.1695971 294.0616 2.182 UNK_294.0625@1.4417502 294.0627 1.443 UNK_294.1209@5.0268283 294.1211 5.031 UNK_294.1463@14.546037 294.1464 14.544 UNK_294.1465@15.449447 294.1464 15.45 UNK_294.1828@17.690216 294.1828 17.689 UNK_294.183@17.424747 294.183 17.423 UNK_294.2189@21.872488 294.2184 21.875 UNK_295.1912@16.166191 295.1912 16.17 UNK_295.9606@0.5175386 295.9608 0.515 UNK_296.1062@2.1683345 296.1064 2.152 UNK_296.1964@22.44041 296.1964 22.442 UNK_296.2353@22.279438 296.2339 22.286 UNK_297.1068@2.5023308 297.1066 2.507 UNK_298.0714@5.2879667 298.0715 5.289 UNK_298.105@9.267878 298.1051 9.266 UNK_298.2499@22.552347 298.2493 22.561 UNK_298.2502@22.049656 298.2503 22.041 UNK_298.286@23.370584 298.2858 23.332 UNK_299.0142@0.8342728 299.0131 0.827 UNK_300.0775@3.5659065 300.0778 3.579 UNK_300.1035@21.762308 300.1029 21.765 UNK_300.2654@22.787039 300.2657 22.801 UNK_300.2662@22.109682 300.2661 22.106 UNK_301.0219@1.2739999 301.0219 1.284 UNK_302.2249@22.489544 302.2251 22.493 UNK_302.2454@22.834475 302.2456 22.833 UNK_304.0395@1.0124544 304.0399 1.006 UNK_304.0864@0.94299996 304.087 0.95 UNK_305.22@16.16573 305.2198 16.166 UNK_306.2564@22.877075 306.2564 22.879 UNK_306.9487@1.172167 306.9478 1.173 UNK_307.1011@1.2942849 307.1009 1.297 UNK_308.1259@15.803847 308.1259 15.805 UNK_308.2108@22.42905 308.2106 22.428 UNK_308.2715@23.014475 308.2716 23.017 UNK_309.1048@1.1687692 309.1037 1.171 UNK_309.1055@0.8387694 309.105 0.832 UNK_310.1165@2.7943811 310.1166 2.794 UNK_310.116@2.4061658 310.1161 2.395 UNK_310.1778@17.321312 310.1778 17.32 UNK_310.2105@22.635345 310.2103 22.624 UNK_311.1705@15.855913 311.1709 15.855 UNK_311.9764@1.0234443 311.9765 1.017 UNK_313.1019@1.7409971 313.1022 1.753 UNK_314.0583@0.816077 314.0586 0.806 UNK_314.0586@0.9440912 314.059 0.972 UNK_314.1264@15.468131 314.1263 15.471 UNK_314.1264@15.657525 314.1266 15.659 UNK_314.1265@14.062259 314.1266 14.069 UNK_314.1271@14.482638 314.1275 14.482 UNK_314.1981@22.834167 314.1975 22.831 UNK_314.2787@22.30367 314.2783 22.298 UNK_316.1037@5.025369 316.1036 5.029 UNK_316.2174@22.70538 316.2175 22.708 UNK_316.2614@21.190517 316.2613 21.192 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0.517 UNK_565.2006@2.4541652 565.2006 2.458 UNK_565.3389@22.078941 565.3393 22.077 UNK_565.3398@21.946613 565.3398 21.949 UNK_565.9189@0.7120003 565.919 0.71 UNK_567.2547@24.607653 567.2548 24.61 UNK_567.3544@22.27471 567.3547 22.277 UNK_567.3547@22.37867 567.3542 22.381 UNK_567.9113@0.5215714 567.912 0.519 UNK_569.2727@22.110159 569.2733 22.11 UNK_569.272@21.995943 569.2726 21.999 UNK_569.3699@22.558825 569.3695 22.561 UNK_569.3705@22.647478 569.3709 22.65 UNK_570.1539@8.511155 570.1538 8.505 UNK_570.1727@22.694843 570.1725 22.697 UNK_570.1914@7.6078377 570.1914 7.609 UNK_571.2656@21.567043 571.2658 21.57 UNK_571.4738@24.000952 571.4739 24.004 UNK_572.5043@25.02437 572.5039 25.028 UNK_573.0256@0.83633363 573.0278 0.837 UNK_573.49@24.374998 573.4898 24.378 UNK_574.4969@22.642523 574.4966 22.65 UNK_574.4975@22.443026 574.4972 22.447 UNK_575.2279@25.299385 575.2275 25.302 UNK_575.5038@24.604881 575.5035 24.609 UNK_577.2932@21.764198 577.2934 21.763 UNK_578.293@1.4969984 578.2926 1.495 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UNK_587.3227@21.763617 587.3228 21.764 UNK_587.5045@24.69412 587.5051 24.695 UNK_587.8976@0.71172756 587.8987 0.71 UNK_588.1536@22.678812 588.1529 22.674 UNK_588.4173@23.424294 588.4174 23.426 UNK_588.5154@22.819326 588.5155 22.815 UNK_589.3386@21.970602 589.3391 21.973 UNK_589.339@22.088093 589.3389 22.09 UNK_589.4844@24.0852 589.4854 24.09 UNK_589.906@0.5330002 589.906 0.532 UNK_590.1604@22.803944 590.1631 22.87 UNK_590.161@3.235112 590.1606 3.26 UNK_590.5247@23.175785 590.5247 23.177 UNK_591.1516@2.4574594 591.1522 2.473 UNK_591.2269@24.510134 591.2268 24.513 UNK_591.3524@22.29224 591.3531 22.294 UNK_591.3533@22.366367 591.3534 22.366 UNK_593.2731@22.004107 593.273 22.003 UNK_593.2742@22.111162 593.2749 22.112 UNK_593.3687@22.512228 593.3695 22.514 UNK_593.4139@22.83025 593.4132 22.834 UNK_594.1532@2.456831 594.1536 2.469 UNK_594.1722@22.67093 594.1724 22.67 UNK_594.4857@23.029644 594.4861 23.032 UNK_595.2883@22.341557 595.2879 22.343 UNK_595.3095@21.973171 595.3083 21.973 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UNK_746.4473@22.673006 746.4469 22.675 UNK_746.558@23.706472 746.5586 23.708 UNK_747.5205@24.524004 747.5208 24.527 UNK_748.3823@22.671928 748.3848 22.672 UNK_748.5753@24.02601 748.5749 24.028 UNK_749.5223@23.770746 749.5228 23.769 UNK_749.5365@24.904501 749.5369 24.911 UNK_749.5372@24.747349 749.5372 24.749 UNK_750.5891@24.241833 750.5878 24.244 UNK_751.5371@24.10536 751.5373 24.108 UNK_751.5515@25.35619 751.5515 25.359 UNK_751.5518@25.162981 751.5519 25.165 UNK_753.2367@3.2672431 753.237 3.269 UNK_753.5523@23.650974 753.5516 23.652 UNK_753.5578@27.340464 753.5574 27.343 UNK_755.2695@22.380032 755.2694 22.376 UNK_755.4929@22.7346 755.4914 22.738 UNK_756.4211@23.177588 756.4217 23.189 UNK_759.2537@3.267083 759.2531 3.274 UNK_761.5577@23.997847 761.5501 24.01 UNK_762.5518@23.524115 762.5508 23.528 UNK_763.2648@3.2579012 763.265 3.273 UNK_763.2807@22.071085 763.2759 22.072 UNK_763.5224@24.254095 763.5179 24.255 UNK_763.5666@25.00943 763.5679 25.01 UNK_763.5672@24.603516 763.5668 24.61 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24.017 UNK_822.6393@26.359709 822.6398 26.364 UNK_823.5879@25.636621 823.5878 25.64 UNK_824.6398@22.830467 824.6411 22.833 UNK_825.5522@23.965902 825.5517 23.967 UNK_827.4757@22.969736 827.4752 22.976 UNK_827.5612@25.566244 827.5616 25.575 UNK_827.5661@24.153322 827.565 24.146 UNK_827.5678@24.343016 827.5682 24.346 UNK_827.6026@22.68149 827.5999 22.686 UNK_829.5221@23.872742 829.5222 23.875 UNK_829.5834@24.732855 829.5842 24.736 UNK_829.5835@24.53205 829.5818 24.531 UNK_829.6651@25.94141 829.6657 25.945 UNK_830.6514@25.583315 830.6503 25.582 UNK_831.6@25.072567 831.5994 25.074 UNK_832.235@8.5163355 832.2335 8.519 UNK_832.5196@23.873241 832.5207 23.876 UNK_832.6672@26.359936 832.6669 26.365 UNK_833.2855@22.379429 833.285 22.379 UNK_833.5205@24.455124 833.5262 24.46 UNK_833.6147@25.636497 833.6155 25.638 UNK_834.5218@24.031242 834.5214 24.036 UNK_834.5617@24.581583 834.5625 24.589 UNK_835.3018@22.643827 835.3028 22.647 UNK_835.5127@24.232754 835.5111 24.23 UNK_835.5348@24.975752 835.5353 24.98 UNK_835.5386@22.64841 835.5384 22.652 UNK_837.5421@24.677801 837.5459 24.683 UNK_837.5793@24.223686 837.5794 24.226 UNK_839.6026@24.892893 839.603 24.895 UNK_839.603@24.599918 839.5996 24.603 UNK_840.3182@3.569154 840.3179 3.568 UNK_841.5404@24.272835 841.5426 24.276 UNK_841.6219@25.56556 841.6215 25.569 UNK_842.5735@24.160982 842.5631 24.166 UNK_843.5383@25.233925 843.5392 25.235 UNK_843.5551@24.465492 843.556 24.465 UNK_843.5971@22.091015 843.5967 22.086 UNK_843.6351@25.372435 843.6326 25.373 UNK_844.2241@8.519078 844.2243 8.537 UNK_844.5913@24.58528 844.5892 24.585 UNK_845.5403@24.231606 845.5396 24.224 UNK_845.5701@25.002834 845.5704 25.005 UNK_845.6547@26.071333 845.6533 26.074 UNK_846.6377@25.709072 846.6391 25.713 UNK_847.5554@24.677921 847.556 24.68 UNK_847.6042@24.22286 847.5959 24.228 UNK_847.6692@27.199284 847.671 27.201 UNK_848.6538@26.487535 848.6548 26.49 UNK_849.6319@24.598642 849.6328 24.602 UNK_849.6628@22.83244 849.6611 22.832 UNK_850.2352@8.477171 850.2346 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UNK_868.5068@24.025766 868.5103 24.027 UNK_869.2695@3.5691538 869.2699 3.571 UNK_869.5735@24.902548 869.5741 24.906 UNK_871.5553@24.396603 871.5548 24.397 UNK_872.6228@25.334703 872.6237 25.336 UNK_873.5717@24.816008 873.5713 24.817 UNK_874.6539@22.829708 874.6537 22.831 UNK_875.5631@24.048864 875.5646 24.052 UNK_875.5866@25.450556 875.5848 25.449 UNK_876.2869@3.5702844 876.2898 3.573 UNK_876.5152@23.706942 876.5149 23.707 UNK_877.4822@24.522713 877.4829 24.525 UNK_877.5823@24.391684 877.5818 24.395 UNK_878.5325@24.025936 878.5323 24.026 UNK_879.4964@24.746584 879.493 24.75 UNK_879.603@24.903961 879.6031 24.906 UNK_880.5465@24.243185 880.5446 24.243 UNK_880.6711@22.831633 880.672 22.834 UNK_881.4972@24.104836 881.4996 24.109 UNK_881.6111@25.127449 881.6075 25.13 UNK_881.6126@25.361324 881.6175 25.364 UNK_883.4951@24.524462 883.4956 24.527 UNK_884.5476@24.02664 884.5478 24.026 UNK_885.5271@24.341951 885.527 24.342 UNK_889.5603@25.07162 889.5536 25.075 UNK_890.762@23.173866 890.7616 23.177 UNK_891.5293@24.817312 891.53 24.819 UNK_891.5769@25.636763 891.5784 25.642 UNK_892.629@22.828377 892.6278 22.831 UNK_895.5556@24.343092 895.5557 24.347 UNK_896.5064@24.025751 896.5031 24.026 UNK_896.7788@23.173153 896.7808 23.176 UNK_897.5066@24.971975 897.5066 24.973 UNK_897.5736@24.60739 897.5713 24.615 UNK_897.5966@23.702545 897.5981 23.704 UNK_899.5037@24.679466 899.5051 24.683 UNK_899.5871@25.071566 899.5851 25.073 UNK_90.0321@0.8264617 90.032 0.815 UNK_90.0324@0.94999945 90.032 0.952 UNK_900.6553@26.359861 900.6546 26.363 UNK_901.6022@25.636955 901.6021 25.642 UNK_902.5664@24.595718 902.5642 24.605 UNK_903.523@24.979387 903.5251 24.983 UNK_905.5091@25.232954 905.5134 25.237 UNK_907.5114@24.23127 907.512 24.224 UNK_907.5994@24.604753 907.5986 24.61 UNK_907.6239@23.702278 907.625 23.704 UNK_908.7345@23.176174 908.736 23.178 UNK_909.5251@24.677769 909.5249 24.68 UNK_911.5285@25.236225 911.5283 25.239 UNK_912.2108@8.563074 912.2115 8.563 UNK_912.5771@24.581705 912.5755 24.581 UNK_913.5268@24.227743 913.519 24.225 UNK_913.5585@25.001465 913.5671 25.009 UNK_914.5889@23.163538 914.5877 23.169 UNK_914.6244@25.706675 914.6256 25.71 UNK_915.5427@24.67923 915.5414 24.679 UNK_915.6113@25.941048 915.6107 25.948 UNK_916.6413@26.486137 916.6398 26.492 UNK_917.5448@25.070759 917.5424 25.077 UNK_918.617@26.361034 918.6258 26.365 UNK_919.5533@24.273087 919.5534 24.277 UNK_919.5611@25.635077 919.5616 25.644 UNK_919.5907@22.663141 919.5922 22.665 UNK_921.4757@24.611794 921.477 24.614 UNK_921.5693@24.469238 921.5651 24.473 UNK_923.5863@25.001295 923.5864 25.006 UNK_924.6548@25.70623 924.654 25.705 UNK_925.5171@24.817118 925.519 24.823 UNK_926.6705@26.48694 926.6708 26.486 UNK_928.6859@27.801264 928.6848 27.799 UNK_931.5315@24.8167 931.5304 24.826 UNK_933.5235@24.39669 933.5247 24.399 UNK_933.7573@23.17643 933.7565 23.18 UNK_935.5406@24.816162 935.5406 24.818 UNK_936.3709@3.2728074 936.3709 3.275 UNK_936.4921@24.027395 936.4938 24.03 UNK_936.6248@22.830873 936.6248 22.832 UNK_937.559@25.449179 937.5615 25.451 UNK_939.5432@24.398607 939.54 24.402 UNK_939.6068@25.367147 939.6053 25.369 UNK_941.5432@24.999634 941.5446 25.001 UNK_941.5573@24.815775 941.5529 24.819 UNK_941.6274@26.071497 941.6263 26.074 UNK_942.3887@3.2714486 942.3881 3.278 UNK_942.6152@25.707542 942.6155 25.707 UNK_942.6393@22.830555 942.6398 22.831 UNK_943.6411@27.199013 943.6417 27.203 UNK_944.6298@26.48875 944.6307 26.491 UNK_945.4668@24.523643 945.4675 24.526 UNK_946.518@24.026934 946.5173 24.026 UNK_947.4971@24.342724 947.5012 24.344 UNK_947.5884@24.902754 947.5863 24.904 UNK_948.5333@24.241772 948.5199 24.248 UNK_948.618@22.262562 948.6182 22.266 UNK_948.6627@22.833506 948.661 22.835 UNK_949.4819@24.106737 949.4886 24.107 UNK_952.5354@24.027395 952.5342 24.029 UNK_953.513@24.342752 953.5147 24.346 UNK_956.9825@0.6602498 956.9826 0.641 UNK_957.5243@24.344015 957.5251 24.344 UNK_957.5422@25.075144 957.5416 25.074 UNK_958.7499@23.173866 958.7501 23.177 UNK_961.5564@25.071756 961.5534 25.073 UNK_962.6271@26.362183 962.6294 26.365 UNK_963.5412@24.342636 963.5385 24.346 UNK_963.5733@25.634941 963.5725 25.637 UNK_965.4949@24.972277 965.4956 24.974 UNK_967.4934@24.678143 967.4984 24.678 UNK_967.5731@25.073591 967.5678 25.078 UNK_968.644@26.360981 968.6423 26.363 UNK_969.5886@25.637758 969.5906 25.644 UNK_973.4985@25.23377 973.4996 25.236 UNK_974.5501@24.578773 974.5438 24.58 UNK_974.6338@22.276222 974.6347 22.279 UNK_975.4973@24.232605 975.4997 24.226 UNK_975.5288@25.00427 975.5292 25.009 UNK_977.5131@24.678001 977.5151 24.68 UNK_978.5689@22.110474 978.5686 22.11 UNK_981.5187@24.264668 981.5211 24.273 UNK_981.5435@25.003462 981.5432 25.012 UNK_983.5315@24.67965 983.5293 24.684 UNK_983.5393@24.469072 983.5387 24.469 UNK_984.6283@26.486671 984.6263 26.484 UNK_985.5561@25.00303 985.5557 25.008 UNK_986.6244@25.705164 986.6233 25.706 UNK_988.6402@26.487404 988.6402 26.49 UNK_989.5562@24.471962 989.5573 24.473 UNK_991.573@25.001759 991.574 25.006 UNK_992.6426@25.706995 992.6414 25.711 UNK_993.5022@24.818977 993.5045 24.82 UNK_994.3277@3.2709973 994.3266 3.276 UNK_994.6567@26.48847 994.6578 26.489 UNK_996.6185@22.121706 996.6183 22.124 UNK_996.6652@19.54854 996.6641 19.548 UNK_996.6671@19.889658 996.6671 19.891 URIC ACID (M-H)- 168.0279 0.986 1175 URIDINE (M+CL)- 244.0696 1.315 6029 URIDINE (M-H)- 244.0695 1.351 6029 VALINE (M-H)- 117.0783 0.871 6287 XANTHINE (M-H)- 152.0329 1.245 1188 XANTHOSINE (M-H)- 284.0773 2.272 64959 ZEATIN [ISTD] (M+CL)- 219.1118 3.863 449093 ZEATIN [ISTD] (M-H)- 219.1118 3.86 449093