metabolite_name S00019605 S00019606 S00019607 S00019608 S00019609 S00019610 S00019611 S00019612 S00019613 S00019614 S00019615 S00019616 S00019617 S00019618 S00019619 S00019620 S00019621 S00019622 S00019624 S00019625 S00019626 S00019627 S00019628 S00019629 S00019630 S00019631 S00019632 S00019633 S00019634 S00019635 S00019636 S00019637 S00019638 S00019639 S00019640 S00019641 S00019642 S00019643 1-METHYLXANTHINE (M+H)+ 496670 410864 773298 1142186 746727 1243963 1238375 1510885 1159395 816132 1037665 2299049 3183432 1709754 1925521 1604712 1378127 2183353 2732232 3022360 1232785 1173897 927698 1021370 1168979 546616 1528289 1515963 472408 1-OLEOYL-RAC-GLYCEROL (M+H)+ 32137 52444 26011 26975 61793 34381 18492 26509 17149 13866 95434 37198 43615 37054 117618 178528 5359 9539 11863 12194 22901 29291 38284 70170 35202 15391 32990 30287 19136 54886 1-OLEOYL-RAC-GLYCEROL (M+H)+[-H2O] 31130 40673 14390 40262 25074 56260 32782 12972 25843 15693 6888 7495 62998 33739 29789 36114 101703 179929 7544 12849 8845 12024 7024 18559 19883 2109 10568 13058 17913 26234 15427 5350 19708 21546 10949 27457 4709 1-OLEOYL-RAC-GLYCEROL (M+NA)+ 90445 162136 49943 211478 278203 661479 305635 155480 160472 173737 57398 161980 345934 190976 190732 168163 409711 1455251 31926 215284 176502 44931 33683 67270 111684 9298 7865 61313 36367 326336 546389 363952 156154 226163 238047 369480 647352 102921 16:0 LYSO PC (M+NA)+ 269681 224508 106866 226059 359636 260912 345957 317944 411626 265840 151730 229035 248227 357740 221185 234267 376921 705616 422157 283054 552127 179662 204382 201653 239894 54683 40827 461766 248234 415231 321083 510984 422815 302907 427207 510791 348359 256744 16:0-18:0 PC (M+NA)+ 29478 28685 18865 64699 26676 32306 25639 24060 35459 76747 78598 108051 20260 12122 12974 30718 34442 14355 12255 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 45484 50717 26146 43889 37629 45784 44982 29351 42571 27937 36715 26729 132823 17357 16407 27888 46075 43842 99188 135062 31484 40136 34232 43545 12160 119076 101553 27612 18253 53516 73441 21737 28448 91271 27780 64186 3-AMINOISOBUTANOATE (M+H)+[-H2O] 27465 21152 2255 32530 28078 25901 17709 36502 32377 30525 16002 32514 48200 54905 64903 55379 39634 46594 15803 14264 14485 28724 24494 30118 31848 44801 17993 58406 71366 3-METHYLHISTAMINE (M+H)+ 5853 2291 3495 9070 8383 1726 124103 69779 14887 38240 40099 64196 49757 42962 41678 99050 106170 76566 4-ACETAMIDOBUTANOATE (M+NA)+ 25028 21335 2643 26722 25540 21119 15214 12812 32745 27076 11801 27305 46083 49588 77745 58710 46867 51623 15520 14677 27790 25461 29516 26577 49123 16306 66219 80983 5-AMINOPENTANOATE (M+H)+ 932813 776449 213868 1381413 1581249 1112034 1756018 2001238 1724703 2119684 2057144 2279151 541641 3087727 1094704 916687 856976 866270 2838506 2920688 3788225 1825010 1745481 1714933 2011931 1987677 1623725 2642899 2505277 269163 135013 173148 242750 250697 289796 221149 427476 423042 5-OXOPROLINE (M+H)+ 125434 76612 160148 437221 975382 773066 251594 397089 106738 514506 287088 50946 821955 590629 1874942 1575852 949382 1033221 1106511 1193686 1483525 1122231 991707 615038 867090 431130 217031 491110 745302 503910 787628 150771 799296 453098 654270 977681 ACETAMINOPHEN (TN TYLENOL) (M+NA)+ 5935 5618 22243 19463 18875 2669 4995 65515 74741 71883 68020 70008 81528 99707 100164 99647 87341 77982 ALPHA-LINOLENIC ACID (M+NA)+ 1518 1268 2341 2257 2501 1979 1551 2665 1931 2899 3642 4279 3849 3507 3021 2195 2310 4303 4033 7036 3307 2724 3354 2727 3546 4823 3148 2997 2181 4201 5315 4711 4232 2995 3499 7998 5565 4793 ASPARTATE (M+H)+ 28108 640467 37599 17255 36826 36969 27265 6280 11643 8951 9445 20388 12991 21609 21014 8017 5455 4369 41555 119116 39990 32270 94273 72726 37146 76936 47948 ASPARTATE (M+NA)+ 4091 3277 1253 2078 4336 3900 2020 1179 3290 2158 1767 1164 3085 6842 3368 2757 6174 5272 3022 6065 2964 AZELAIC ACID (M+H)+[-H2O] 4819 2346 2050 5367 5492 2852 1757 4350 19538 5827 4446 8288 5798 8051 9887 5599 3980 4871 4563 4527 2793 3848 4110 7277 5002 4333 2581 3916 10523 1631 3788 12029 3014 2449 3382 3266 2041 3072 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+ 33840 20439 20231 20279 15950 28720 5861 3424 4523 4107 7941 7398 3529 2434 2909 3780 6437 4975 6827 5954 5635 11819 8909 34733 32393 9393 7264 8982 9216 7911 10560 7596 6677 8233 8636 6514 9541 7084 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+ 10272 5922 6752 6919 6781 9504 2486 2560 2851 3339 6215 4660 2287 1676 2160 2515 3723 2995 2555 2912 2655 6267 5033 15022 12523 4934 8096 6601 4711 1430 1754 1540 1492 1698 BILIVERDIN (M+H)+ 2175 2938 2788 5652 14598 7064 4085 6649 1744 3453 61687 37068 14018 18532 9428 1851 3647 1241 1334 4298 2485 1063 1249 1636 1041 1826 BUTYRYLCARNITINE (*) (M+H)+ 139269 114822 13340 265377 2267 4608 11687 589024 241991 1770618 1929075 7901103 3723571 2121319 3071435 1563470 2723909 2252516 1970065 1625078 1044400 424638 1037607 980133 2686031 993668 2826610 3823554 226071 216922 162264 162825 80272 135064 134938 123070 213010 CARNITINE (M+H)+ 177082 147338 207437 170087 157403 151604 120444 120466 127253 128961 252840 249763 43157 19640 77379 69075 34311 61089 2243120 553752 2075418 308942 305128 239271 257615 182035 217686 154864 143619 515732 529862 479656 304066 359274 427282 324438 329258 384162 CHOLINE M+ 418004 592098 100740 353809 337634 534178 454670 262184 319665 287531 186640 253618 45848 66231 23867 37712 61640 51296 831127 244737 195526 257639 283307 410765 370043 287080 240246 457795 673799 312578 355985 230745 141690 335389 301364 201124 379193 290033 CHOLINE PHOSPHATE (M+H)+ 297709 229967 407442 171283 226617 304540 315803 186821 165536 284857 40938 23492 35579 49004 49068 50757 59047 210543 139787 18177 217658 178122 211153 189809 35509 289105 121432 48928 92182 83948 164123 139844 142610 98289 188398 110085 184277 CHOLINE PHOSPHATE (M+NA)+ 19104 19211 13896 26343 14650 17314 36150 19305 32979 9195 61367 49692 42205 32216 35596 47906 29259 102402 16747 24425 18394 7525 5752 21914 48757 10294 12063 11136 8217 7404 9728 8432 7482 6757 CITRULLINE (M+H)+ 36091 29889 69785 61281 103673 53913 128652 79291 28589 79026 6088 8727 4298 183976 267462 221068 140733 152183 123609 121788 96333 105444 138775 100079 9085 4025 8191 5414 3451 4381 2358 1725 CITRULLINE (M+NA)+ 27691 25622 47148 61033 32897 14734 41764 14141 4572 17278 2999 11829 6666 9209 30834 87816 46767 42719 41476 20854 12349 10053 24147 30447 2949 4952 4697 4432 13914 4043 2620 8578 CYSTATHIONINE (M+H)+ 11265 9506 39293 47825 14914 8171 2857 2804 2751 5979 8373 7870 5998 12721 CYSTINE (M+H)+ 2996 13000 9359 17764 5361 7456 4485 3873 4061 10736 7746 29535 6903 1976 3177 8298 4734 3896 3439 3272 879 998 CYSTINE (M+NA)+ 4536 3563 4722 1769 9449 7176 7250 9783 11655 27927 12606 817 2952 24247 15514 42492 58747 5867 7336 20911 1206 1907 5925 8436 6573 35270 18008 80388 32950 52408 41128 61791 55107 75514 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+ 12628 9763 3452 13704 6150 9011 7814 27420 26203 20031 29761 29709 21280 29104 12640 19214 17059 5324 19700 30354 30348 18140 21759 23618 23182 19108 16487 26233 32604 7071 13235 14061 19148 20246 14738 17320 5280 18842 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+ 2158 2791 3125 1739 2365 1964 3564 2614 1781 4765 4167 1798 1107 1083 3355 5183 5016 3257 3565 3953 4712 1655 1340 2650 2302 5291 3022 3316 3442 3861 4334 2053 EPIBRASSINOLIDE [ISTD] (M+NA)+ 2099346 1924715 195758 2210989 2204914 2129482 2433683 3025288 2698234 2451915 2359866 2643845 2504770 2884467 2158530 2239071 2237810 2059678 2813538 2928593 2487441 1972575 2394808 1952742 1985831 2437781 933163 2768860 2668143 2640757 2466914 2432576 2489777 2269257 2351132 2327408 2388810 2337452 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+ 108114 90061 26326 123618 107924 71602 128470 45187 43558 28384 61632 96563 58667 17278 21056 41292 42644 24040 34184 41252 40641 42610 55532 103522 61471 70774 43408 75851 4554 1316 3999 5946 4130 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O] 19582 7281 16449 3895 23590 23889 13127 64433 68630 19392 6882 14110 25837 14820 9147 4559 18203 16772 17203 21008 21414 42718 18083 22352 10161 9326 GLUCOSE (M+NA)+ 124139 139961 129885 114983 104046 111062 167346 83159 99618 382632 47130 385963 208538 177372 229493 243709 202992 128926 90064 53867 124954 141534 215340 210300 88255 374702 312168 120498 24896 43580 29692 29012 47732 38825 29510 45282 22794 GLUTAMATE (M+H)+[-H2O] 406813 359836 585635 370360 192473 403952 343653 212280 310552 262823 382589 318773 468332 418879 336910 495059 362499 370706 625934 50742 153136 643681 622027 359895 420879 205614 338511 281704 206271 491726 479825 626028 564334 520274 534484 573255 506731 523021 GLUTATHIONE OXIDIZED (M+H)+ 83732 69904 77672 53643 74331 128251 184310 125147 79288 230602 150824 66364 54052 39344 71783 60159 47665 33193 60249 21539 39725 68595 90881 77715 167278 91061 90321 202216 654046 154789 855922 1416259 348359 447540 773585 275345 556944 GUANINE (M+H)+ 134469 30225 49753 225013 284995 280795 356308 348859 412489 32346 14048 293389 20147 419108 12722 125119 121754 71781 71874 21460 26760 325333 238958 224920 378527 468724 13542 22543 22559 GUANOSINE (M+H)+ 701357 465384 74663 334476 495525 526855 465769 456797 461431 412020 236330 376845 242782 256083 178434 246476 316829 150055 709227 895028 462303 334927 259502 274315 464796 91805 88542 229568 318608 288803 833862 510944 405330 667511 654378 755583 959731 581252 GUANOSINE 5'-PHOSPHATE (M+H)+ 19987 16449 3736 28945 25432 26733 22042 12719 11823 1165 10641 13743 21172 13510 30228 13368 17184 33037 26921 23992 46866 25726 70105 89159 44411 26915 74471 14853 23329 HEXANOYLCARNITINE (*) M+ 4008 3585 6103 2361 1395 32207 36195 14622 90337 85165 391515 333132 198434 301324 167635 165997 142992 108485 107941 33045 66942 30797 25127 188587 71977 269527 368290 4046 8206 6625 5351 2765 4678 6001 4073 HISTAMINE (M+H)+ 2527 1984 4411 6803 8540 4355 9135 5519 61597 26596 14430 40557 6840 18433 283439 231575 72633 8289 6749 1633 1536 4213 6978 2968 1502 5544 2611 6267 HYPOXANTHINE (M+H)+ 21548966 20248148 3361597 23405420 27370132 22206494 24733688 19407144 25147756 18523732 19259262 18820904 16571914 23314822 10012131 11839983 10106717 6912292 21969916 23411220 23563418 13747459 12605206 19885488 21279112 16354253 9624125 18218280 23013572 6545444 5367383 4824532 3325635 4459115 4664560 5455920 4674499 7553741 INOSINE (M+NA)+ 424530 373490 60734 149842 38170 31143 27690 147874 81860 229648 156153 30412 139915 500382 239385 99309 29102 27391 153608 62067 92386 62524 92829 79321 124560 165490 219893 38827 113781 219812 349332 267626 176837 233701 338272 219642 ISOLEUCINE (M+H)+ 8453958 13029626 895555 20304014 24017884 18793040 26486196 22856612 24581094 22826368 18775020 20265698 17478260 31143934 11383225 14167807 12095448 7978919 33967948 40751688 44446292 22534232 22735480 23722922 24487192 23536258 3692485 28253436 29671096 6975830 6617492 6220371 6452163 6031373 3402012 7238417 9373935 7964796 L-ARGININE (M+H)+ 10137 9467 15766 15311 10008 13592 14323 34712 38927 32166 41840 51583 21283 26800 23843 24184 19622 19017 14041 13032 12538 29054 30162 11539 14872 52246 45415 32805 33214 3108 3593 2380 3308 4698 4169 5581 2470 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 1110374 1052978 108390 1152716 1204342 1121386 1284562 1635317 1351611 1282700 1258267 1385806 1226696 1403887 1139986 1104436 1106456 1057766 1384910 1455970 1301925 1092226 1255068 1048848 1077530 1329975 519621 1509064 1381730 1329891 1276626 1262391 1306304 1136377 1214391 1181557 1264919 1237982 L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+ 38027 57256 19074 38014 28773 49761 87362 8558 36816 25141 4508 60110 37886 48957 32948 52698 40507 43043 2482 38215 34923 47944 20238 43890 87140 37308 69939 62589 38888 45098 51209 49291 36528 55752 LEUCINE (M+NA)+ 11717 14186 3360 13664 24442 14770 33859 32102 29730 33638 22136 16120 17134 39943 11338 18523 14981 45401 65074 69736 31329 33744 32826 27232 38346 19314 57031 51431 1663 LYSINE (M+H)+ 12792 12607 9993 18859 24719 20776 26406 22220 30201 25217 23917 28844 22560 38565 11417 15661 13092 8506 38589 57646 60645 28738 28294 23760 30216 24891 20121 26497 30715 8549 9900 7623 11259 10592 11250 12549 14951 METHIONINE (M+H)+ 1796643 1485927 698201 2965033 3524920 2559370 4181708 4224889 4328590 3885488 4309851 4307443 1556777 4029077 968466 1081667 1111025 550305 5863016 7482467 8014003 3949678 3765341 3711238 4025218 4053732 3375200 4661095 4744845 1244511 836869 912562 1310057 785045 1060647 1130018 1359687 1188850 N-ACETYL-DL-METHIONINE (M+H)+ 124555 95302 16791 182330 115004 156972 201776 153544 211707 193222 107977 152397 64481 178860 31523 42918 45837 17826 235589 314122 470976 246710 244712 297564 322418 199713 93124 260009 291359 26573 13372 22311 24710 16983 18983 22817 16937 20326 N-ACETYL-DL-METHIONINE (M+NA)+ 76172 61935 6754 115204 75787 99477 127728 93783 142196 123046 62941 95859 38407 114840 17921 24825 27457 10319 156747 190934 297674 160033 163832 205789 216271 126663 56964 169364 205314 14273 6130 12580 12742 7330 12083 12539 9811 11201 N-ACETYL-DL-SERINE (M+H)+[-H2O] 83501 61156 187026 115405 622623 314970 245555 57515 95374 204659 470258 115235 174621 376627 463107 2056759 270549 475687 108590 596294 236200 556938 63800 91196 508947 652307 258010 461171 267758 140364 154687 649912 402908 N-ACETYL-L-ASPARTIC ACID (M+H)+ 3201449 2064676 1188654 2952646 2253690 2240486 2448290 298420 916286 782081 205708 746811 273031 222961 182401 375537 225870 383291 356776 301299 820534 950795 1178940 1024351 191246 196580 150055 224295 3361504 3111283 3408251 3607608 2211617 3312167 3411709 2577902 4506599 N-ACETYL-L-ASPARTIC ACID (M+NA)+ 1112057 1091405 568207 1122015 806030 812955 1027325 407398 73609 39326 326792 99523 141978 104433 202422 140268 132655 140318 99090 393260 537257 145562 391522 84103 79316 77966 156572 1044558 799205 1134999 1226444 964415 1023238 1180378 831047 1059793 N-METHYL-D-ASPARTIC ACID (M+H)+ 700076 635122 766586 585786 759963 693319 707436 243882 357059 330165 92346 53399 89750 91010 43171 25570 68238 227476 473290 475740 153539 437430 377917 388087 169420 352292 183679 181821 509652 447096 671368 838121 609895 606850 604797 455644 435643 N-METHYL-D-ASPARTIC ACID (M+NA)+ 23720 27531 15729 19423 23351 27349 23236 24891 32197 25108 4222 4939 4283 6463 4775 19049 19345 9870 21522 26198 12783 13349 12553 9336 17604 18106 12814 12111 10741 14444 15417 18835 14258 9610 9405 NICOTINAMIDE (M+H)+ 3580927 3424666 541720 3677293 3431543 3690025 3646220 5556224 4793592 3804036 4177037 4216957 4907495 6969589 4125233 4299894 3378983 2929080 4805536 6224740 5428593 2476788 2725172 3362955 3433277 2841550 1373259 2947968 3952631 9996029 7429802 8956489 9591005 8640342 8443783 10050057 9943793 9610364 O-PHOSPHOSERINE (M+NA)+ 8547 11502 2531 9711 10243 11093 9339 3844 7268 4970 1291 1875 6379 5034 6602 4708 3504 1528 2852 4068 5305 4463 5062 5415 5736 2814 5853 2699 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ 29358 20079 26796 15844 2977 21491 22032 26025 26734 78116 61252 45153 13842 17217 PANTOTHENATE (M+H)+ 1021570 870100 68708 999866 1795420 1092502 1681423 1518142 2000225 1433933 983525 1142589 1396742 2039668 896459 1032000 810917 544933 1075075 1455852 1527274 432290 445523 1037253 1117112 551768 213062 762384 1094519 2745505 1282543 2109590 1225307 1526393 1940920 1714364 1676834 2513010 PHENYLALANINE (M+H)+ 68055 87013 73571 132758 98581 227552 41554 73792 80586 39035 131746 19650 15316 22383 31895 46154 87984 49796 27988 46447 27490 29135 43159 57807 28413 24077 19866 25471 102161 62448 97717 157138 110946 187662 99648 73582 45333 40032 RAC-GLYCEROL 1-MYRISTATE (M+NA)+ 3639 1596 3215 4625 9071 3265 4448 3652 4181 6884 5827 5536 5702 12138 20258 3893 3176 3085 1511 2632 1100 2723 2559 RIBOFLAVIN (M+H)+ 8959 10477 11356 14210 9764 20150 28816 58757 32059 21047 19757 48426 72542 15427 23544 19950 12507 38015 55906 44024 8718 10047 20034 21577 20594 8758 25884 32342 13931 10567 10395 9764 8818 12230 9173 15601 16608 S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ 47035 25132 9434 37528 35005 20422 43385 49578 71157 49665 35706 65428 75945 131584 50141 48711 29862 50350 50736 55068 42658 33582 46334 52259 35878 37777 77520 71849 28000 20832 26056 21265 18013 27024 32201 32582 43216 SARCOSINE (M+H)+ 615669 631147 296909 572565 563794 621060 584692 427941 527517 406523 571599 525104 312627 280715 229865 257379 213922 172002 266847 257063 230867 331076 382889 456265 478033 353821 335483 317829 352423 707744 708884 743955 739954 788530 738556 682133 692470 675848 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ 515649 501001 453006 837479 543812 408353 735533 2591111 2577172 1943875 4861642 3961218 895968 2350037 2675212 3171805 582294 2302276 1455159 1627695 841377 492052 662935 1733032 1581211 1777493 1733487 1587896 1658916 315993 404257 772620 487564 365561 312506 676829 360623 355569 SPERMIDINE (M+H)+ 176144 209195 14758 27710 73116 116031 125830 7634 31953 7238 8397 42940 12713 10384 3736 24460 26153 3793 39623 26969 157714 15249 23077 2165 3330 22567 20134 11932 12737 28842 8579 40911 58483 11673 38753 7350 SUCROSE (M+NA)+ 4185 3180 5817 1052 20136 19181 35586 33946 36081 305906 13719 10964 11894 4116 TAURINE (M+H)+ 33449 4120 36743 33156 43162 16514 35106 28485 56077 36441 23755 35090 25098 42033 31103 32130 53469 33253 39268 34176 43327 TAURINE (M+NA)+ 15265 15440 20148 16364 14138 15361 9760 17236 15218 18323 19201 13879 11829 25996 11044 13639 11347 11377 30372 28596 19785 20390 18338 17482 13576 18319 17029 14443 44619 44398 49408 56066 46699 39962 56540 36429 58155 TETRADECENOYLCARNITINE (*) M+ 38151 22243 5065 9140 10574 4932 5162 5106 9420 6681 11834 8656 9524 7473 8351 5177 4727 8556 5171 4727 3134 4652 7345 TRYPTOPHAN (M+NA)+ 12401 11102 13221 21321 12795 21565 16385 24748 15164 13706 12724 38541 72451 24877 35405 26386 20450 44411 50393 62793 19205 19806 14605 15994 13514 6003 15812 22553 10320 3930 10203 7170 7444 11365 6953 9303 10262 TYROSINE (M+H)+ 1737982 1556014 542430 2577942 2940016 1920637 3472121 3275010 3204466 3022575 2469601 2826055 2850103 5926768 1020528 2445983 1900371 1393565 6251805 7984050 8983120 3382226 3275986 2916310 3060210 3953512 3745658 4425431 4954501 935657 413399 844079 787977 542806 549456 1047477 1040815 1202047 UNK_100.9573@0.54117775 66817 26584 26857 30769 22247 33694 53753 18636 31569 28805 21222 9251 15662 34197 24256 18214 25885 14456 15195 19697 48975 21711 27547 34766 19019 24744 49506 52663 27866 21535 26419 53262 21656 39672 15707 24834 35319 43926 UNK_1004.5065@7.3840466 17865 5596 10211 25042 36263 3507 3947 1904 2808 3655 3184 166199 102615 178390 128816 UNK_1005.4908@8.331695 7645 2549 8554 5241 6493 2802 9388 5278 9745 5400 7994 6796 82813 69468 240282 164738 UNK_1006.5645@10.423179 4228 5195 3772 32002 19920 23824 48565 71715 15741 5800 6874 5267 4317 29096 8354 7305 11046 12445 91832 25601 43307 UNK_1007.5465@11.883862 2723 3718 13042 1593 2771 14481 2261 16426 7554 9242 2468 44394 12439 18152 94145 130300 60680 40723 119313 33290 108046 137493 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19864 10290 20074 27785 23217 15190 20242 18108 22412 22003 23043 UNK_911.7425@28.801655 50898 108963 9663 48862 30922 69276 81260 118050 129987 65442 3230 22242 2242 31972 27930 92143 90208 52773 99570 366325 47470 71643 6217 15077 21357 UNK_92.0471@5.342727 51591 51870 54466 56961 55509 59391 72487 62071 54713 49856 53739 49562 68095 53197 46185 53493 47280 61289 69874 63996 51467 56888 46918 44650 47831 19358 58246 63658 60950 60341 58366 59735 56496 56388 58774 62971 62309 UNK_932.5888@22.31039 58512 70638 38918 14457 42057 75214 40251 77612 160466 82303 20860 38371 14607 20690 27641 164608 153185 14208 3354 134421 19439 108617 19071 33502 28238 89763 38286 198762 61883 145962 100546 80896 107287 51953 UNK_933.478@5.7714405 20432 7400 19879 42768 76274 3992 1634 24541 24609 20167 7823 12495 6442 9295 136102 46244 116227 123328 UNK_946.4277@9.70982 15500 17124 25407 14523 19455 3214 7995 29954 35414 29762 14565 13393 15054 20473 27412 UNK_946.5832@22.304955 19770 17859 3230 17610 16745 27319 23417 25539 43157 23411 17998 18607 13633 18173 13251 15774 12916 12025 20118 9912 16500 13182 22921 22939 20504 8288 12982 26093 13705 12145 12907 10837 16052 12374 17707 13535 16031 UNK_954.5708@22.27179 25746 75008 20373 18870 8176 1766 20140 23412 14820 2839 7525 16875 6087 11045 8121 27561 6869 6274 2471 30574 4728 43163 11468 6418 1946 8139 2872 16017 7888 14880 14417 11878 38851 14327 15793 9823 UNK_956.1365@1.8449537 9789 6314 6407 4298 8621 5580 7627 11067 4281 16754 17667 11996 5753 3408 5440 7811 3422 2236 3018 2254 1434 3667 4072 2071 1344 1658 4007 44295 31694 31809 35405 33821 40644 33109 41594 50944 UNK_966.9628@15.957565 7776 7229 9993 4684 4447 17211 31444 5008 2588 1946 6191 45432 24732 123207 57143 75868 50327 44673 104918 59059 226312 202930 4328 UNK_978.5735@22.01112 78567 175291 3210 26582 40828 89619 100041 11976 31477 9911 1766 5104 5620 5540 1558 14207 9325 12062 2806 37773 31567 202852 20022 27416 4590 3350 29895 12361 51863 15404 65931 58072 15144 45889 8388 UNK_978.57@22.247173 79752 173147 66699 50223 98908 26311 36874 7915 17473 87693 119709 21690 62294 42291 161000 15127 19821 140355 32948 31989 49481 7149 2014 38796 126557 48637 70097 66498 44847 222424 65574 96682 175977 UNK_980.5861@22.329512 889526 626783 141292 410677 836061 1000576 729336 327230 373535 295516 17044 70851 97145 20797 48707 29859 262730 178384 19259 3876 136637 404211 1054461 434223 484627 5144 1803 39439 26233 450248 372405 819049 254078 870240 296687 384585 754396 167067 UNK_982.672@19.483248 29836 21707 27600 31491 29751 39424 73544 56038 38466 35362 46098 40014 60087 27739 32491 29625 22881 61744 63198 46151 26889 39424 20042 19978 34257 5017 55611 53312 46113 36999 39373 45339 37204 38485 29535 35647 36554 UNK_982.673@19.824867 1461085 1292569 9343 1604198 1631522 1526972 1898578 2693275 2176314 1872260 1847210 2180542 2000876 2467538 1569447 1646196 1650095 1453723 2431289 2580375 2052211 1396121 1821819 1337184 1361535 1923854 372156 2298986 2173349 2200453 1945977 1909768 2041601 1706869 1903398 1813835 1864278 1820901 UNK_985.9382@15.955629 2749 2570 4066 1826 7148 15026 1051 1902 20545 12630 52650 25812 35304 25193 21068 52527 28402 81110 84260 1267 UNK_986.443@15.956566 2733 1970 3670 1412 1217 1930 15951 9096 29510 17931 21788 18334 18875 36743 18923 50041 UNK_990.5504@8.479799 15403 11302 10147 33783 40228 2081 2111 1729 1816 1474 4793 2157 1851 1770 84443 38274 100997 69673 UNK_990.6667@22.39966 1272605 1987835 10453 226342 810251 1470543 872353 753277 1970763 661252 21037 80967 366624 204860 713793 786542 7161257 5719940 346260 148034 2806035 200624 1170467 234675 484828 4451 1539 1420818 1566070 917750 255996 1299560 652986 892858 987554 788267 672938 223716 UNK_991.5338@9.62075 6176 8745 21502 10886 6435 2558 22964 11782 8082 77842 36384 175046 154400 UNK_993.7102@25.454697 6849 4511 22518 8285 14442 11138 8398 65579 37921 56837 43139 51936 45750 46059 72602 62775 55087 36956 39430 24467 27774 18558 22212 9459 9930 18254 13805 72835 48663 970 1089 1375 UNK_996.5492@22.337955 215740 113267 250943 207852 192514 97390 122276 274669 261482 316599 47414 146128 197606 51031 138151 82787 243101 194596 35405 13578 150463 252733 236065 237814 204930 18583 10364 83535 42851 118354 179926 231965 243762 246709 95524 339814 187336 270715 UNK_996.6154@22.392073 41202 55708 3211 18963 43159 52062 43988 71425 51745 60685 6747 12831 29848 14221 43010 32611 80946 19919 11539 12993 13682 18389 28229 17615 23856 1606 51045 41275 69018 28664 64112 22214 48564 53028 36216 57033 14849 URIDINE (M+H)+ 40679 64404 13618 47777 60875 59811 37826 58645 32739 32091 43382 20865 42974 35406 148076 80337 124374 65016 107987 106110 85281 83362 90533 VALINE (M+H)+ 803781 897576 739025 1084875 1780515 1080869 2120028 1396693 1811094 1333469 1638147 1209213 254335 2143097 636028 771083 625212 395324 2731127 3077251 3142088 1368129 1775430 1698288 1610937 1790199 2182603 2061192 2278026 327045 448995 188681 480071 267845 289470 355125 495809 542177 XANTHINE (M+H)+ 517806 1205326 321281 1760673 1944583 577088 2128666 1113037 1482057 1772537 763578 838351 1380439 2004209 877324 622997 940690 427718 1433125 1760975 1778323 884871 831028 1021012 758071 858640 774764 1118308 1259910 791970 833451 450403 854469 660690 830480 943476 1108800 1421424 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-METHYLXANTHINE (M+H)+ 166.0483 2.514 80220 1-OLEOYL-RAC-GLYCEROL (M+H)+ 356.2931 22.681 5283468 1-OLEOYL-RAC-GLYCEROL (M+H)+[-H2O] 356.293 22.663 5283468 1-OLEOYL-RAC-GLYCEROL (M+NA)+ 356.2932 22.722 5283468 16:0 LYSO PC (M+NA)+ 495.3324 22.259 460602 16:0-18:0 PC (M+NA)+ 761.5876 25.48 18631368 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 402.3488 22.756 65094 3-AMINOISOBUTANOATE (M+H)+[-H2O] 103.0633 1.757 64956 3-METHYLHISTAMINE (M+H)+ 125.0951 0.563 69520 4-ACETAMIDOBUTANOATE (M+NA)+ 145.0735 1.738 18189 5-AMINOPENTANOATE (M+H)+ 117.079 0.726 138 5-OXOPROLINE (M+H)+ 129.0426 1.198 7405 ACETAMINOPHEN (TN TYLENOL) (M+NA)+ 151.063 3.099 1983 ALPHA-LINOLENIC ACID (M+NA)+ 278.2231 22.87 5280934 ASPARTATE (M+H)+ 133.0356 0.643 5960 ASPARTATE (M+NA)+ 133.0372 0.632 5960 AZELAIC ACID (M+H)+[-H2O] 188.1034 10.734 2266 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+ 240.1205 0.63 112072 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+ 240.1202 0.625 112072 BILIVERDIN (M+H)+ 582.249 18.663 5280353 BUTYRYLCARNITINE (*) (M+H)+ 231.1472 2.947 213144 CARNITINE (M+H)+ 161.1033 0.666 10917 CHOLINE M+ 104.1063 0.658 305 CHOLINE PHOSPHATE (M+H)+ 183.0639 0.667 1014 CHOLINE PHOSPHATE (M+NA)+ 183.0648 0.684 1014 CITRULLINE (M+H)+ 175.0936 0.666 9750 CITRULLINE (M+NA)+ 175.0979 0.71 9750 CYSTATHIONINE (M+H)+ 222.0644 0.638 439258 CYSTINE (M+H)+ 240.0227 0.636 6857538 CYSTINE (M+NA)+ 240.0274 0.679 6857538 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+ 488.1041 0.714 13804 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+ 488.1082 0.704 13804 EPIBRASSINOLIDE [ISTD] (M+NA)+ 480.346 19.825 115196 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+ 250.0624 1.005 123938 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O] 250.0597 1.008 123938 GLUCOSE (M+NA)+ 180.0626 0.645 5793 GLUTAMATE (M+H)+[-H2O] 147.0521 0.649 33032 GLUTATHIONE OXIDIZED (M+H)+ 612.1514 1.379 65359 GUANINE (M+H)+ 151.0479 0.909 764 GUANOSINE (M+H)+ 283.0916 1.859 6802 GUANOSINE 5'-PHOSPHATE (M+H)+ 363.0562 1.004 6804 HEXANOYLCARNITINE (*) M+ 260.1864 7.119 3246939 HISTAMINE (M+H)+ 111.0796 0.549 774 HYPOXANTHINE (M+H)+ 136.0385 1.131 790 INOSINE (M+NA)+ 268.0807 1.848 6021 ISOLEUCINE (M+H)+ 131.0946 1.581 6306 L-ARGININE (M+H)+ 174.1111 0.628 6322 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 206.0844 3.66 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+ 138.0463 5.448 227 LEUCINE (M+NA)+ 131.0936 1.564 6106 LYSINE (M+H)+ 146.1055 0.558 5962 METHIONINE (M+H)+ 149.0509 1.012 6137 N-ACETYL-DL-METHIONINE (M+H)+ 191.0617 4.037 448580 N-ACETYL-DL-METHIONINE (M+NA)+ 191.0625 4.039 448580 N-ACETYL-DL-SERINE (M+H)+[-H2O] 147.0534 0.782 65249 N-ACETYL-L-ASPARTIC ACID (M+H)+ 175.0478 0.998 65065 N-ACETYL-L-ASPARTIC ACID (M+NA)+ 175.0478 0.998 65065 N-METHYL-D-ASPARTIC ACID (M+H)+ 147.0525 0.662 4376 N-METHYL-D-ASPARTIC ACID (M+NA)+ 147.0534 0.659 4376 NICOTINAMIDE (M+H)+ 122.0482 1.09 936 O-PHOSPHOSERINE (M+NA)+ 185.0089 0.653 68841 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ 327.0964 2.277 83944 PANTOTHENATE (M+H)+ 219.1107 3.245 6613 PHENYLALANINE (M+H)+ 165.078 2.436 6140 RAC-GLYCEROL 1-MYRISTATE (M+NA)+ 302.2467 22.166 79050 RIBOFLAVIN (M+H)+ 376.1394 7.644 493570 S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ 384.1212 1.558 439155 SARCOSINE (M+H)+ 89.0477 0.694 1088 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ 257.1022 0.663 439285 SPERMIDINE (M+H)+ 145.1575 0.564 1102 SUCROSE (M+NA)+ 342.1162 0.719 5988 TAURINE (M+H)+ 125.0141 0.651 1123 TAURINE (M+NA)+ 125.0135 0.634 1123 TETRADECENOYLCARNITINE (*) M+ 370.2922 18.9 22833575 TRYPTOPHAN (M+NA)+ 204.0911 3.654 6305 TYROSINE (M+H)+ 181.0728 1.36 6057 UNK_100.9573@0.54117775 100.9573 0.541 UNK_1004.5065@7.3840466 1004.5065 7.384 UNK_1005.4908@8.331695 1005.4908 8.332 UNK_1006.5645@10.423179 1006.5645 10.423 UNK_1007.5465@11.883862 1007.5465 11.884 UNK_102.0164@2.5128 102.0164 2.513 UNK_103.0452@1.0119461 103.0452 1.012 UNK_103.0459@4.034182 103.0459 4.034 UNK_103.0991@0.65904653 103.0991 0.659 UNK_1039.6624@19.827066 1039.6624 19.827 UNK_104.0549@16.471905 104.0549 16.472 UNK_1040.5168@22.009184 1040.5168 22.009 UNK_1052.615@22.686272 1052.615 22.686 UNK_1054.6232@22.385056 1054.6232 22.385 UNK_1061.5708@4.564459 1061.5708 4.564 UNK_1064.5175@22.038258 1064.5175 22.038 UNK_1064.523@22.079695 1064.523 22.08 UNK_109.0278@1.8504999 109.0278 1.85 UNK_1090.5573@6.0138516 1090.5573 6.014 UNK_1091.5378@7.1495004 1091.5378 7.15 UNK_1092.3461@8.505977 1092.3461 8.506 UNK_1092.523@8.016616 1092.523 8.017 UNK_1093.5428@14.12517 1093.5428 14.125 UNK_110.1096@7.9605 110.1096 7.961 UNK_1104.498@10.928958 1104.498 10.929 UNK_1114.5042@8.0199585 1114.5042 8.02 UNK_1121.5907@9.927033 1121.5907 9.927 UNK_1122.5742@11.073469 1122.5742 11.073 UNK_1130.2938@8.510636 1130.2938 8.511 UNK_1130.4694@8.019 1130.4694 8.019 UNK_1137.6663@12.1097145 1137.6663 12.11 UNK_1138.6014@13.003863 1138.6014 13.004 UNK_1139.604@6.2213707 1139.604 6.221 UNK_1143.5717@9.91713 1143.5717 9.917 UNK_1144.5546@11.072463 1144.5546 11.072 UNK_1146.4413@8.017566 1146.4413 8.018 UNK_115.027@0.9986137 115.027 0.999 UNK_115.0635@0.7122445 115.0635 0.712 UNK_1163.5613@8.843049 1163.5613 8.843 UNK_118.0782@18.436998 118.0782 18.437 UNK_1196.4586@16.47446 1196.4586 16.474 UNK_120.0434@5.3429556 120.0434 5.343 UNK_1209.6447@7.8974257 1209.6447 7.897 UNK_121.9175@0.5942381 121.9175 0.594 UNK_1229.6389@11.151241 1229.6389 11.151 UNK_1252.6892@9.691084 1252.6892 9.691 UNK_1268.6573@12.667654 1268.6573 12.668 UNK_1269.6414@13.987497 1269.6414 13.987 UNK_129.0424@0.6504667 129.0424 0.65 UNK_129.0427@1.2001112 129.0427 1.2 UNK_129.1519@4.8620224 129.1519 4.862 UNK_1291.6228@13.991449 1291.6228 13.991 UNK_1307.592@13.985826 1307.592 13.986 UNK_1308.6478@12.295312 1308.6478 12.295 UNK_1309.7083@8.710407 1309.7083 8.71 UNK_131.0695@0.6941556 131.0695 0.694 UNK_133.0375@0.99927783 133.0375 0.999 UNK_133.0891@14.354399 133.0891 14.354 UNK_1338.716@14.854654 1338.716 14.855 UNK_1339.7218@8.715333 1339.7218 8.715 UNK_135.0542@3.922881 135.0542 3.923 UNK_1356.6746@13.23472 1356.6746 13.235 UNK_136.0384@1.1250445 136.0384 1.125 UNK_136.0388@1.8482444 136.0388 1.848 UNK_136.0397@2.979857 136.0397 2.98 UNK_1366.7319@8.80192 1366.7319 8.802 UNK_138.0531@5.3416133 138.0531 5.342 UNK_140.9516@0.5424 140.9516 0.542 UNK_1409.754@14.445269 1409.754 14.445 UNK_1421.8105@10.006938 1421.8105 10.007 UNK_1422.7936@11.496265 1422.7936 11.496 UNK_1438.4886@8.506091 1438.4886 8.506 UNK_144.0247@1.9216446 144.0247 1.922 UNK_144.947@0.5406 144.947 0.541 UNK_146.0511@3.658511 146.0511 3.659 UNK_1468.1062@24.34697 1468.1062 24.347 UNK_1469.7585@15.56023 1469.7585 15.56 UNK_147.0528@1.4556175 147.0528 1.456 UNK_147.0529@0.6750683 147.0529 0.675 UNK_1478.9792@19.82605 1478.9792 19.826 UNK_148.0161@20.843067 148.0161 20.843 UNK_148.018@2.5145237 148.018 2.515 UNK_148.0521@17.380955 148.0521 17.381 UNK_148.0883@18.437258 148.0883 18.437 UNK_1486.7896@14.495999 1486.7896 14.496 UNK_149.0514@4.0372496 149.0514 4.037 UNK_1508.8398@9.278281 1508.8398 9.278 UNK_1509.826@10.613566 1509.826 10.614 UNK_151.0632@3.0991724 151.0632 3.099 UNK_152.033@1.3215554 152.033 1.322 UNK_152.034@2.3200004 152.034 2.32 UNK_153.0508@0.6895333 153.0508 0.69 UNK_1540.7957@15.178097 1540.7957 15.178 UNK_1540.9847@24.301151 1540.9847 24.301 UNK_155.0686@0.62988883 155.0686 0.63 UNK_1569.0175@24.439907 1569.0175 24.44 UNK_157.1464@15.265734 157.1464 15.266 UNK_158.0199@1.1468002 158.0199 1.147 UNK_158.1418@0.5608571 158.1418 0.561 UNK_159.1246@0.90854275 159.1246 0.909 UNK_159.1254@0.715186 159.1254 0.715 UNK_1597.815@14.982642 1597.815 14.983 UNK_1598.9117@19.825682 1598.9117 19.826 UNK_160.1537@0.5608125 160.1537 0.561 UNK_1608.2203@27.113976 1608.2203 27.114 UNK_161.0511@1.8902665 161.0511 1.89 UNK_161.1045@0.78171104 161.1045 0.782 UNK_162.0533@10.160233 162.0533 10.16 UNK_1622.9098@13.456101 1622.9098 13.456 UNK_164.0467@0.9644047 164.0467 0.964 UNK_164.0472@1.3589554 164.0472 1.359 UNK_165.0436@2.51541 165.0436 2.515 UNK_166.0623@17.3846 166.0623 17.385 UNK_166.0781@11.145249 166.0781 11.145 UNK_168.1122@7.9670005 168.1122 7.967 UNK_1688.322@27.142757 1688.322 27.143 UNK_169.0248@0.68646675 169.0248 0.686 UNK_170.1407@10.673222 170.1407 10.673 UNK_171.1256@4.29525 171.1256 4.295 UNK_171.1256@7.9399996 171.1256 7.94 UNK_171.1619@17.56731 171.1619 17.567 UNK_172.0705@2.2291338 172.0705 2.229 UNK_172.0879@15.429299 172.0879 15.429 UNK_173.0506@4.035179 173.0506 4.035 UNK_175.03@1.6744 175.03 1.674 UNK_175.0664@3.759697 175.0664 3.76 UNK_175.0666@3.374956 175.0666 3.375 UNK_1764.9407@15.372729 1764.9407 15.373 UNK_177.1263@4.3673997 177.1263 4.367 UNK_178.0996@15.5515785 178.0996 15.552 UNK_179.0573@4.784095 179.0573 4.784 UNK_179.128@15.26449 179.128 15.264 UNK_1806.601@8.506204 1806.601 8.506 UNK_181.1464@11.811477 181.1464 11.811 UNK_181.1464@12.061605 181.1464 12.062 UNK_181.977@0.54166657 181.977 0.542 UNK_183.0643@0.65613645 183.0643 0.656 UNK_183.0658@22.403296 183.0658 22.403 UNK_183.0675@22.253162 183.0675 22.253 UNK_184.1075@9.996266 184.1075 9.996 UNK_184.1209@3.9223888 184.1209 3.922 UNK_185.2134@17.608463 185.2134 17.608 UNK_187.0264@2.5162942 187.0264 2.516 UNK_188.0616@3.6592224 188.0616 3.659 UNK_188.1154@2.0080287 188.1154 2.008 UNK_188.1156@2.9629996 188.1156 2.963 UNK_189.0423@4.9503827 189.0423 4.95 UNK_189.0639@1.311742 189.0639 1.312 UNK_189.082@6.149616 189.082 6.15 UNK_189.0987@5.7181625 189.0987 5.718 UNK_1895.9825@15.958771 1895.9825 15.959 UNK_1896.968@16.149136 1896.968 16.149 UNK_190.1567@14.610087 190.1567 14.61 UNK_191.0581@4.3040223 191.0581 4.304 UNK_1917.9584@15.956472 1917.9584 15.956 UNK_192.0603@1.566025 192.0603 1.566 UNK_192.1503@16.156296 192.1503 16.156 UNK_193.1097@0.73300004 193.1097 0.733 UNK_194.094@17.382797 194.094 17.383 UNK_1955.1497@22.336952 1955.1497 22.337 UNK_1959.3243@19.824913 1959.3243 19.825 UNK_197.0299@0.7505142 197.0299 0.751 UNK_197.1059@4.499942 197.1059 4.5 UNK_199.1926@20.38451 199.1926 20.385 UNK_200.9267@0.6236046 200.9267 0.624 UNK_201.0827@2.932791 201.0827 2.933 UNK_201.0991@6.6125903 201.0991 6.613 UNK_201.1361@1.5872121 201.1361 1.587 UNK_202.0448@0.62857765 202.0448 0.629 UNK_202.1308@2.9449086 202.1308 2.945 UNK_203.0808@2.1418638 203.0808 2.142 UNK_203.098@9.515157 203.098 9.515 UNK_203.1157@8.187547 203.1157 8.188 UNK_203.1158@0.7157272 203.1158 0.716 UNK_203.116@0.98233354 203.116 0.982 UNK_204.0786@20.843178 204.0786 20.843 UNK_204.0901@3.658423 204.0901 3.658 UNK_205.9875@1.2158668 205.9875 1.216 UNK_206.1501@11.277296 206.1501 11.277 UNK_208.0847@2.2266316 208.0847 2.227 UNK_208.1824@19.063978 208.1824 19.064 UNK_211.1111@6.473867 211.1111 6.474 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24.878 UNK_819.6569@26.366896 819.6569 26.367 UNK_819.6952@27.159243 819.6952 27.159 UNK_820.6395@27.796106 820.6395 27.796 UNK_821.6359@25.527227 821.6359 25.527 UNK_821.7122@28.631268 821.7122 28.631 UNK_823.6454@26.703499 823.6454 26.703 UNK_823.6929@26.498634 823.6929 26.499 UNK_825.531@24.174198 825.531 24.174 UNK_825.5568@26.180681 825.5568 26.181 UNK_825.6633@25.632536 825.6633 25.633 UNK_826.694@27.895102 826.694 27.895 UNK_827.5448@24.561447 827.5448 24.561 UNK_827.6768@26.579395 827.6768 26.579 UNK_828.7096@29.727633 828.7096 29.728 UNK_829.5559@25.777805 829.5559 25.778 UNK_829.5596@24.754267 829.5596 24.754 UNK_829.5642@24.287024 829.5642 24.287 UNK_829.6582@28.228703 829.6582 28.229 UNK_829.66@25.691961 829.66 25.692 UNK_83.036@0.652311 83.036 0.652 UNK_83.0376@1.1974889 83.0376 1.197 UNK_831.5782@25.39198 831.5782 25.392 UNK_831.6584@25.935862 831.6584 25.936 UNK_832.4432@5.333458 832.4432 5.333 UNK_833.5949@25.246183 833.5949 25.246 UNK_833.5951@24.946775 833.5951 24.947 UNK_833.5957@25.752945 833.5957 25.753 UNK_833.6731@26.372242 833.6731 26.372 UNK_834.661@27.087883 834.661 27.088 UNK_835.607@26.30285 835.607 26.303 UNK_835.6091@25.725212 835.6091 25.725 UNK_835.6098@25.487951 835.6098 25.488 UNK_836.6058@26.515297 836.6058 26.515 UNK_836.6755@28.655048 836.6755 28.655 UNK_837.6202@27.335567 837.6202 27.336 UNK_837.7076@27.159943 837.7076 27.16 UNK_839.4984@7.274708 839.4984 7.275 UNK_839.5481@24.37606 839.5481 24.376 UNK_839.6403@26.8005 839.6403 26.801 UNK_840.4792@8.956682 840.4792 8.957 UNK_840.7095@28.80333 840.7095 28.803 UNK_841.6579@27.597528 841.6579 27.598 UNK_843.5313@25.198822 843.5313 25.199 UNK_843.6534@25.763208 843.6534 25.763 UNK_843.6741@29.176435 843.6741 29.176 UNK_843.7108@27.789537 843.7108 27.79 UNK_845.6747@26.493908 845.6747 26.494 UNK_845.6762@26.757542 845.6762 26.758 UNK_846.2681@16.47341 846.2681 16.473 UNK_847.54@25.404171 847.54 25.404 UNK_847.6331@25.844532 847.6331 25.845 UNK_847.639@23.654543 847.639 23.655 UNK_847.6524@25.827324 847.6524 25.827 UNK_847.6525@25.635935 847.6525 25.636 UNK_848.609@26.27675 848.609 26.277 UNK_848.6705@29.693115 848.6705 29.693 UNK_849.6678@26.583513 849.6678 26.584 UNK_85.0898@1.5294888 85.0898 1.529 UNK_85.0898@1.5967778 85.0898 1.597 UNK_850.391@19.28185 850.391 19.282 UNK_850.3934@18.437737 850.3934 18.438 UNK_850.3952@18.752466 850.3952 18.752 UNK_850.6246@27.053104 850.6246 27.053 UNK_851.5473@24.230572 851.5473 24.231 UNK_851.5741@26.290789 851.5741 26.291 UNK_853.558@24.665295 853.558 24.665 UNK_853.5729@22.285385 853.5729 22.285 UNK_853.5869@27.325768 853.5869 27.326 UNK_854.7339@25.936375 854.7339 25.936 UNK_855.5754@25.239403 855.5754 25.239 UNK_855.5769@24.469006 855.5769 24.469 UNK_855.671@28.463749 855.671 28.464 UNK_856.2981@16.474237 856.2981 16.474 UNK_856.7487@26.979332 856.7487 26.979 UNK_857.5901@25.465143 857.5901 25.465 UNK_857.5927@24.809763 857.5927 24.81 UNK_857.6753@26.289026 857.6753 26.289 UNK_858.1621@1.8465774 858.1621 1.847 UNK_858.531@22.291046 858.531 22.291 UNK_858.7258@25.997347 858.7258 25.997 UNK_859.6075@25.4136 859.6075 25.414 UNK_859.6878@27.468033 859.6878 27.468 UNK_859.689@27.167377 859.689 27.167 UNK_861.5244@24.383465 861.5244 24.383 UNK_861.6576@26.150127 861.6576 26.15 UNK_861.6608@26.36728 861.6608 26.367 UNK_861.6955@27.714817 861.6955 27.715 UNK_862.6545@28.267544 862.6545 28.268 UNK_863.6119@25.630365 863.6119 25.63 UNK_863.6406@26.485054 863.6406 26.485 UNK_863.6824@27.25029 863.6824 27.25 UNK_865.5166@24.64839 865.5166 24.648 UNK_865.66@29.18128 865.66 29.181 UNK_866.3591@18.438028 866.3591 18.438 UNK_867.6727@28.191475 867.6727 28.191 UNK_868.7387@26.76087 868.7387 26.761 UNK_868.749@26.497955 868.749 26.498 UNK_869.6891@29.410063 869.6891 29.41 UNK_87.0322@0.9950465 87.0322 0.995 UNK_870.7265@25.826296 870.7265 25.826 UNK_870.7279@25.634478 870.7279 25.634 UNK_871.5624@26.17769 871.5624 26.178 UNK_872.74@26.579412 872.74 26.579 UNK_873.6676@25.882776 873.6676 25.883 UNK_875.4436@10.509348 875.4436 10.509 UNK_875.5447@24.213713 875.5447 24.214 UNK_875.6498@27.146418 875.6498 27.146 UNK_875.6848@26.700975 875.6848 26.701 UNK_877.5628@24.158947 877.5628 24.159 UNK_877.7013@28.043413 877.7013 28.043 UNK_879.5763@24.423645 879.5763 24.424 UNK_879.576@24.37069 879.576 24.371 UNK_880.7465@26.29403 880.7465 26.294 UNK_881.5937@24.650501 881.5937 24.651 UNK_882.7638@27.16605 882.7638 27.166 UNK_885.7262@28.267616 885.7262 28.268 UNK_886.3805@18.85179 886.3805 18.852 UNK_888.674@28.808123 888.674 28.808 UNK_891.6703@29.386147 891.6703 29.386 UNK_891.6711@27.921741 891.6711 27.922 UNK_893.6257@25.925682 893.6257 25.926 UNK_893.6878@29.693598 893.6878 29.694 UNK_895.377@7.9343605 895.377 7.934 UNK_896.6297@27.103636 896.6297 27.104 UNK_902.5563@22.298136 902.5563 22.298 UNK_907.4964@8.321032 907.4964 8.321 UNK_907.6411@26.501596 907.6411 26.502 UNK_908.4793@9.713543 908.4793 9.714 UNK_909.4585@18.857038 909.4585 18.857 UNK_909.621@25.6319 909.621 25.632 UNK_911.7425@28.801655 911.7425 28.802 UNK_92.0471@5.342727 92.0471 5.343 UNK_932.5888@22.31039 932.5888 22.31 UNK_933.478@5.7714405 933.478 5.771 UNK_946.4277@9.70982 946.4277 9.71 UNK_946.5832@22.304955 946.5832 22.305 UNK_954.5708@22.27179 954.5708 22.272 UNK_956.1365@1.8449537 956.1365 1.845 UNK_966.9628@15.957565 966.9628 15.958 UNK_978.5735@22.01112 978.5735 22.011 UNK_978.57@22.247173 978.57 22.247 UNK_980.5861@22.329512 980.5861 22.33 UNK_982.672@19.483248 982.672 19.483 UNK_982.673@19.824867 982.673 19.825 UNK_985.9382@15.955629 985.9382 15.956 UNK_986.443@15.956566 986.443 15.957 UNK_990.5504@8.479799 990.5504 8.48 UNK_990.6667@22.39966 990.6667 22.4 UNK_991.5338@9.62075 991.5338 9.621 UNK_993.7102@25.454697 993.7102 25.455 UNK_996.5492@22.337955 996.5492 22.338 UNK_996.6154@22.392073 996.6154 22.392 URIDINE (M+H)+ 244.069 1.365 6029 VALINE (M+H)+ 117.0789 0.913 6287 XANTHINE (M+H)+ 152.033 1.322 1188