Metabolite_name RefMet_name 90245015807 90248015807 90252015807 90265015807 90266015807 90217015807 90229015807 90232015807 90237015807 90239015807 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-01 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000MP-09 CS0000OP0-01 CS0000OP0-02 CS0000OP0-03 CS0000OP0-04 CS0000OP0-05 CS0000OP0-06 CS0000OP0-07 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CS0UMRG01-01 CS0UMRG01-02 CS0UMRG01-03 CS0UMRG01-04 CSMR80022-01 CSMR80022-02 CSMR80022-03 CSMR80022-04 CSMR80023-01 CSMR80023-02 CSMR80023-03 CSMR80023-04 90559015807 90560015807 90564015807 90567015807 90571015807 90421015807 90422015807 90423015807 90426015807 90430015807 90576015807 90578015807 90581015807 90585015807 90587015807 90439015807 90441015807 90444015807 90449015807 90450015807 90406015807 90410015807 90412015807 90416015807 90420015807 90280015807 90281015807 90283015807 90289015807 90292015807 90251015807 90254015807 90258015807 90259015807 90267015807 90218015807 90222015807 90223015807 90225015807 90227015807 Factors - Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Blank | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Pooled | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:QC-Reference | Timepoint:0 hour | Sex:- | Tissue:- Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Heart Powder 1_3-dimethylurate 1,3-Dimethyluric acid 1-methylxanthine 1-Methylxanthine 2_5-dihydroxybenzoate Gentisic acid 2-hydroxy-3-methylbutyrate 2-Hydroxy-3-methylbutyric acid 396751 385694 402195 380606 402047 381593 411001 377667 368098 377412 408075 393322 391628 390076 387200 392271 413513 386741 412858 405383 396271 389797 388326 400970 403468 405931 396624 387021 394501 424052 424454 397729 404322 551689 534039 525321 520685 394144 387648 389207 357000 396545 402654 394036 396618 385794 380557 374461 415703 400702 393504 408485 397742 377908 389527 401408 395722 374561 381471 376633 372906 401000 415369 416707 385102 391131 429911 404915 403814 401237 376187 407844 405107 394912 372178 395658 398698 395569 373642 373000 389185 2-hydroxybutyrate 2-Hydroxybutyric acid 107840 67537 185470 63439 76690 340580 113275 74596 53674 79189 110122 104883 103993 102512 98756 99915 98707 85670 384789 345651 375128 375415 337813 375261 390973 106437 105915 98507 93978 199775 206626 54812 161381 556731 565295 478244 479932 318675 300647 234570 213863 110697 80161 106524 48980 53564 77078 101697 64047 33312 37524 215717 78634 72297 81506 45989 50189 56808 46328 60291 55659 29236 91348 26596 44518 36161 33420 41065 53527 44709 47830 147221 86036 57380 31822 39869 63946 56869 45099 60404 32523 3_4-dihydroxybenzoate Protocatechuic acid 3-hydroxybutyrate 3-Hydroxybutyric acid 401142 327147 450136 154186 385140 150223 152962 121807 81530 87652 2306 2582 3632 2501 260347 263503 247010 241906 250572 256199 253990 226523 434763 440014 408213 403180 396351 404712 412227 264931 250465 249035 262728 243917 233065 203049 202931 243189 254554 241135 225211 108108 106538 98578 93272 457755 277294 439202 372172 332348 120887 112034 136285 132018 144211 650920 381329 341274 351910 401175 174072 86490 194489 136625 146202 218571 397843 187791 204877 252960 176122 121356 171645 141627 107744 426306 360536 302023 151016 214128 149702 123402 122352 133473 145502 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 16483 24059 12675 6788 23475 15825 19009 7147 12656 16827 31481 28025 28523 29399 24076 25529 29300 23606 27758 28396 25476 27803 163599 159712 151167 147179 36840 34793 33869 33847 19444 18323 17595 18385 31228 49342 45386 65400 37917 14730 5907 10655 8592 26027 14172 69178 63942 43772 37994 28496 13491 36264 15718 18337 28146 17384 13049 25032 21577 13376 8393 17430 16696 16149 19961 10661 13386 18299 20168 10093 13156 17386 10035 6688 3-methylxanthine 3-Methylxanthine alanine-13C3 Alanine 8920 7756 10787 12268 10458 8922 10236 10223 9306 8378 99818 103582 92466 172219 8173 8778 9507 8275 7463 6936 7459 8625 10832 11020 10235 10383 11152 9239 10787 10924 10440 7854 9684 9511 8563 10664 8328 9225 8463 9798 7419 9186 9080 8533 10165 9717 10458 11555 7288 10076 8491 9123 9885 7822 10939 10492 8906 9301 9612 9107 7697 8894 9431 8260 9393 8657 8929 8961 7691 10537 8185 7962 9980 7689 8649 9868 8944 7478 9296 8160 10522 8956 10399 9875 8534 alpha-muricholate alpha-Muricholic acid 113815 56492 138157 37821 78053 59352 113143 61993 42715 75333 84189 81485 79241 75737 77681 86412 88837 87222 102371 101988 101598 103454 97508 102405 106818 85139 80574 79328 93683 52604 55442 65133 52920 57861 62399 70708 65412 113937 111183 112890 112343 22681 304399 111317 42357 38672 65757 50669 9305 10759 97019 27998 45001 12670 39476 114506 28902 26423 129698 61520 58200 74759 59821 36528 38194 39991 15300 31461 79363 45417 42511 26557 87623 54360 81702 48561 37884 105861 alpha-N-phenylacetylglutamine alpha-N-Phenylacetylglutamine alpha-tocopherol alpha-Tocopherol AMP AMP 22965061 8893132 29469798 24520559 21854266 30430913 25716355 31870589 11968025 23687011 8190 8839 8519 12354 4520 7653 36676942 36656447 34537195 34737333 35275117 36953902 37192614 34881618 52616888 53911440 51644400 50368283 50526352 53888764 51565938 36431221 34755809 34864837 38232465 1497180 1478016 1921734 1639887 32679610 32825453 33593068 32739881 29840590 29463268 29805685 31127662 23305278 13569938 18961524 9279648 27252902 24204591 40848134 31302172 35782118 14027005 30160861 13373427 7545261 19128763 33184917 27385230 31866536 34048875 32781384 25760482 13713153 31563729 47732011 16576348 13511342 35266019 31566340 15054340 18893837 14272203 37356585 17181260 29405235 27689839 10299722 28878907 15618221 15537649 23507968 29151586 androsterone sulfate 5alpha-Androstane-3alpha-ol-17-one sulfate anthranilic acid-15N 2-Aminobenzoic acid 486187 505227 488028 493571 516843 491052 550006 498363 494607 502907 530658 541753 510141 490974 545870 520968 522862 504916 501427 523813 529277 498761 441005 424141 408089 412965 409629 420242 426786 538387 503639 500374 538140 535382 532941 496705 487293 515491 515789 489499 482564 517498 513719 477283 526263 498080 528765 486083 501722 486891 513699 511688 555122 524034 532097 512498 509028 486475 492155 534976 544674 510260 507937 496690 479929 513946 534683 525696 512039 500893 542670 537356 539864 516325 500635 492856 514783 511170 484182 498968 523009 502848 486282 499777 521154 asparagine-15N2 Asparagine 14592 15020 22441 18489 19017 17500 14979 15856 12783 12312 266606 260075 248347 299111 16375 15147 15145 18093 15255 15486 16797 15395 18613 19160 21262 18405 17291 16703 16202 14892 17358 15876 13228 9416 7722 10348 6107 14679 15254 11592 11425 20799 14171 16557 14666 16408 16370 15831 13092 16813 15786 12432 15578 15509 13287 21153 15199 13992 12153 15562 18482 15667 15740 15092 13460 16262 17522 14758 14250 14450 18214 16138 18059 13906 14480 21438 18459 16236 14437 15275 16729 14916 15702 14929 11967 aspartate Aspartic acid 154842 174115 246116 169776 183085 159088 122264 157399 121769 105896 259 708 2286 1569 1928 1262 2194 2152 131721 130085 134412 126114 129661 125456 125018 117681 209255 209880 214228 208411 210583 208404 200202 132017 133596 129368 121461 25148 24895 28061 23167 98752 101061 96101 93224 169735 169245 155662 161342 131113 125428 156119 116979 122048 149280 132424 124182 144524 116438 199553 133913 133226 107791 178282 194334 132636 146172 150701 145415 105219 140977 109009 117969 149221 163203 126479 182944 129493 131582 248093 171203 130037 133414 157608 139772 134604 126485 111562 109363 aspartate-13C4 Aspartic acid 44334 45416 48186 41044 35227 47697 52158 51798 39854 69468 100146 101087 87200 161682 32630 32903 5602 27154 28377 29046 29730 30511 42101 33619 35994 42646 38716 40259 40172 24234 29253 30563 30763 8145 24528 8417 20072 43592 42305 36458 38658 43771 48873 41454 42611 44614 46086 46632 37284 44518 37196 36154 43011 39574 40403 46426 43028 36370 41344 38691 41255 45405 42644 48524 43671 32029 37636 36199 37013 38942 45936 44982 40024 40532 45202 46947 39344 45678 36014 40177 44521 46356 40749 42644 43260 aspirin Aspirin beta-muricholate beta-Muricholic acid 47014 8854 28816 7879 20611 10808 34032 13391 5829 11613 25772 26398 22978 23756 22032 28572 27412 31190 27253 20741 20639 22910 20719 27147 24076 26654 28568 26955 29123 21726 21503 18102 20359 14145 15606 17090 17217 32761 30745 43713 32584 5381 3870 155324 53046 35580 8015 15445 3516 16595 2531 5596 13843 50622 6420 22763 5290 7134 130416 26561 20174 89675 9459 10902 12404 6650 9512 8914 6108 5269 7660 14457 10802 7819 3630 21850 13486 22448 10245 8713 38031 caffeate Caffeic acid chenodeoxycholate Chenodeoxycholic acid 56006 2905 36885 17597 8944 2621 14754 3088 1129 1866 29302 27177 24575 26449 24158 28315 27867 28535 23817 24881 21608 22021 20869 24094 22878 29947 23589 24586 27766 116322 114118 118175 107033 11709 10356 12306 11062 21255 20931 21966 18516 2601 3385 114864 119479 66073 4878 5458 4032 10232 3324 1990 63865 226479 5676 100722 3356 3883 83183 6998 8265 100475 9989 5455 24441 3590 4695 3727 3906 2493 3493 4029 2656 2686 2818 34350 1361 9186 2044 1815 16979 cholate Cholic acid 1744118 7818 29972 157919 317315 14400 162336 13105 6852 4832 381763 384815 374744 364285 356196 385024 399682 404536 136342 134232 129840 123364 123250 137334 145469 393991 372553 360837 399606 317417 335879 303786 323313 155087 161754 174657 172115 284923 281905 289531 337525 11795 8670 3674119 3081713 1642636 9530 47503 3484 96660 3443 6329 297115 3443850 32459 291497 5287 9517 1612794 180461 111037 1346316 93670 108125 348918 13095 12457 6441 5999 4145 4608 17978 37404 25315 7890 451768 5509 127548 2903 6801 73903 cholesterol sulfate Cholesterol sulfate cis-aconitate cis-Aconitic acid 75372 72112 93502 70822 86080 78746 75112 69357 71904 69430 81985 74509 75330 75931 73515 75979 70476 69793 129167 127324 118450 118176 116530 123540 117075 84132 79755 73626 74323 48979 48370 45926 42394 101086 107980 88007 81287 73195 73001 60193 63460 115249 90971 96500 84514 91575 81283 65449 88642 69379 109057 88436 88585 82277 99456 77105 82463 91545 88909 85574 80525 74511 107776 91334 75238 92183 89536 91976 84307 88600 78011 94754 74263 72779 75703 87144 56364 68072 69379 60904 81859 citramalate Citramalic acid citrate Citric acid 5891544 5223505 8019137 5675692 6663442 6283002 5665362 5438208 5455834 5239829 7344293 7136153 7175877 7202919 7177588 7020372 6843277 6671228 13734935 13852272 13855368 13754117 13744338 13496436 13156710 7216930 7222803 7167053 6925258 2831452 2802680 2876498 2485692 7534098 7520883 6763940 6750123 5272249 5246472 4538255 4651000 9804134 6884377 7885310 6191429 8889315 6399544 4764575 5963276 5749246 7782879 6919915 6520595 5946156 7963417 6504946 6472945 7603348 8477742 7756714 6885605 4983820 7570890 7568343 5669008 7151920 6865980 6279506 5857216 5842088 5268425 9182770 5717852 5589499 6289058 5494685 4073185 5107602 5088271 3960207 6038537 citric acid-13C6 Citric acid 114411 94144 113246 146295 108425 149261 111770 117832 81847 89794 165010 163931 126862 129805 115686 112882 105406 103437 101304 107086 107812 97822 81378 87009 66881 73015 68050 79114 73209 121758 105547 104831 110994 167769 173109 162480 149006 171101 161345 143855 137456 177485 173030 146799 151790 105527 117966 104062 97004 111701 91487 132446 118997 105555 78557 123737 136212 109613 108875 183192 118751 117032 95328 102222 86974 95765 120981 141663 105292 103253 105068 102574 104217 94880 77426 107700 106718 141806 115490 98695 111815 95564 104213 144300 109998 dehydroepiandrosterone sulfate Dehydroepiandrosterone sulfate deoxycholate Deoxycholic acid 99719 44115 92671 28416 73967 33880 124383 44127 33580 70965 88633 87635 83629 83626 81171 88791 89821 82671 96966 99989 92775 95016 87760 91836 98843 88427 86275 85283 91738 89950 90368 91250 84721 49871 47210 52397 48178 109253 106604 99260 96230 104334 55848 277302 142791 215369 28466 88324 106894 44851 51437 149303 64601 173492 79507 146426 71304 39065 135163 57713 66186 160057 51725 84427 63848 44518 68283 65001 85051 54831 78042 65568 72839 30217 24399 55698 61828 74261 41705 31010 67855 deoxycytidine Deoxycytidine 13491 17635 13108 8373 16854 17056 19156 19940 24576 19478 16357 17323 17316 17370 16751 15222 14248 14391 8746 8778 9122 7281 5166 7843 6028 14573 17855 16690 14443 13537 15797 16487 15835 8623 8026 9111 8674 11787 11301 11161 9571 13377 20058 15667 18226 16439 22219 12583 14640 19088 21918 12851 19526 17555 14587 8998 19444 18908 19273 18778 20414 17666 14508 8157 14639 12879 18623 17059 23278 17038 21646 11470 16078 8107 13911 17274 19291 23040 19739 16960 16044 edetate Edetic acid epibrassinolide+HCOOH 24-epi-Brassinolide 27723113 28323288 25094970 26171326 28562695 26746081 26814171 26185442 23404866 24849252 26084741 26100241 21588464 23309918 51958 50896 64409 61588 63003 27220667 26166884 26132407 25663774 25551030 25975653 25911928 25630513 23851518 22939192 22893722 22765955 22443384 23061950 22895800 27206868 26132789 25643689 25923358 29970853 30057419 27934984 27874103 25335697 25984417 26133968 25719850 27096075 27136781 26993274 26687728 26776840 27495815 27973620 27485561 29441870 24603958 26334464 25572236 26777493 24545894 28286118 27890516 28287178 26497523 28354300 29449168 25250819 26897826 25630994 25142309 27358150 27581795 29107427 27602615 27667796 26921441 25304697 28999370 25049895 24974972 26027087 27459566 27516014 24807242 31120485 28056409 24456094 24932007 25356337 26737189 FA(10:0) Capric acid 11752 11058 9219 10318 13128 10139 10581 10181 9763 8169 6832 7349 5076 4962 10084 8675 7984 7774 8750 12765 12298 11790 11056 11868 14351 14912 13019 13252 9964 12769 13026 13260 11386 10363 12586 15215 11825 14747 10790 11360 13450 12028 9581 10701 12089 9414 9818 10752 9703 12540 9997 10406 8406 11467 9201 9174 11923 12221 13916 12381 9086 9721 13982 10052 9880 9803 7103 12654 9042 10217 14391 9207 13460 14463 11291 12971 14733 11910 11698 7338 7773 8501 10212 9694 12171 10364 10660 10025 10965 10173 FA(10:0-COOH) Sebacic acid 14803 23044 24407 16290 21041 22880 17647 8132 7889 21041 12532 10012 10124 10020 10807 10357 8797 10370 11323 35479 32788 34158 37672 33335 31253 33683 31599 36053 47286 44618 47558 46415 45835 33854 36470 36743 35161 35861 18253 20599 19845 23748 13138 20132 17075 14289 14126 18632 13827 15924 4071 15420 28210 22232 22980 11876 15653 16836 10135 14686 22298 20715 22111 17144 7402 15664 9069 11977 12805 24766 20767 21874 13030 14755 15719 26103 20127 26744 12638 13006 14959 16516 17072 17729 20899 9173 16357 7974 15917 21359 FA(10:0-OH) Hydroxydecanoic acid 13489 10260 15638 16270 17083 14315 14359 13837 15591 10461 10521 11703 10079 9947 7095 7658 7529 6961 6104 44170 44924 44814 45741 43713 48005 46374 45783 29855 24220 29955 28579 28270 29184 29697 45318 43905 43515 45683 14899 10187 12767 10147 11940 12831 15944 15802 16919 17950 19570 22135 12591 14595 12075 14688 18880 20784 26134 17005 19717 20693 15610 15252 16229 15705 18540 22045 18790 17357 11144 15269 24500 23778 28064 24190 19727 22715 21119 24545 17298 18260 12943 14662 17723 14998 15957 13433 12363 15595 15525 15002 FA(11:0-COOH) Dodecanedioic acid 19166 21311 20643 18772 25564 22018 23176 22845 17258 19884 16528 17266 16245 16605 17855 15938 16794 15425 16813 51669 48609 47674 50473 48795 49498 51400 50025 4628 45467 50670 45337 47713 49012 49438 50683 49090 50715 48446 21821 25039 24364 22781 24760 24661 22127 24549 22423 20885 23676 26566 18178 16442 21988 17319 19849 19663 23555 24363 18697 20095 23955 22331 24288 20780 27114 27562 19728 18836 20456 25294 17832 22722 21712 20559 22358 33249 22419 27758 22387 20537 16975 17624 17889 20132 23107 19387 18546 22601 20975 19637 FA(12:0) Lauric acid 33090 34260 108735 22562 45209 29431 67605 32038 34666 32560 11091 11343 14370 14073 10967 8697 7687 14516 8849 134015 136239 141458 141583 139703 147327 149352 156308 89612 94208 94434 96840 92717 105784 107634 140447 149661 133286 155262 17168 17281 19362 22740 34523 31947 43471 41297 24244 21399 27529 28892 29700 24116 24837 23331 26103 47188 49881 42041 36699 43484 26477 22868 32402 30262 36013 31084 34628 22360 31216 44882 50246 59963 35091 33913 37923 43923 57497 85610 52042 43647 70236 27512 23065 24468 47310 28728 30465 29087 30419 32638 FA(12:0-OH) Hydroxydodecanoic acid 87408 83042 131051 44565 61751 68549 37105 70043 95442 59366 122428 119797 131865 121813 119549 131292 133242 127877 171135 177092 168262 174639 170909 177632 181982 114240 119206 130745 133831 35427 16850 15638 16368 81931 89337 97810 95418 52747 50485 53298 56732 136759 74170 55822 31443 44919 92468 100586 92029 64421 92217 83496 39280 40622 65541 24393 58017 51713 69675 43940 101409 93957 169427 49054 44880 83458 66406 105698 80214 116848 68688 93677 62722 36367 59820 101705 38481 54523 39530 29517 66528 FA(12:1) Dodecenoic acid 11248 14180 14815 7424 11197 8093 8438 7429 17253 7208 17903 22724 20838 22352 20758 22252 21372 23991 29276 27810 26152 29430 32481 28786 32935 18028 22819 20930 22052 6362 7798 9014 9612 5233 5289 5847 6430 15046 14047 10007 10349 7806 18621 13875 13948 12255 17507 11416 11262 11998 12731 8009 8088 7787 9688 8131 13746 19463 22360 10345 11906 10400 12284 15062 10968 14127 17537 9988 12405 7572 15787 13682 6877 8896 8940 7141 8895 FA(12:2) Dodecadienoic acid 1167 1747 1998 2147 2530 1669 2271 1200 2670 1727 2430 2874 2749 3324 2965 2653 4342 3007 6274 5341 5633 6068 6442 5839 4406 2877 2872 2750 2825 2040 1786 1603 1834 2047 1626 2783 1908 1989 2178 2785 1013 2967 2873 2628 2191 2739 1899 1646 2413 3305 4114 3028 1732 2869 2695 2501 2644 2325 3194 1588 3000 2343 3869 2978 2392 2897 3009 2704 2918 2721 2295 2267 1775 631 2729 2655 1631 1285 1419 2098 2765 FA(14:0) Myristic acid 178881 163264 180615 100117 214089 121440 169946 169786 154000 144585 14590 20460 20722 21535 16420 15023 15483 13284 14576 298763 277500 276983 276335 279638 319857 320794 340645 254623 222870 235240 226229 239373 267038 272157 303205 284622 280572 322001 92711 92829 101553 103597 203454 198610 221978 225594 117082 119296 151058 120460 144451 133448 127633 142039 140677 296568 263107 219646 179665 257326 140856 117676 164648 170999 192610 266363 167385 120941 147978 213445 245964 257292 190896 212892 222009 252355 420198 391887 335078 342087 119570 112932 71443 99668 357239 136574 120016 122535 156659 132655 FA(14:0-OH) Hydroxytetradecanoic acid 161864 155893 247589 84649 109355 96131 82181 145057 185515 147148 263413 274622 271173 250659 241776 262265 280016 264561 309071 307364 308457 309061 294813 319791 310919 273664 264232 265432 282541 30317 12011 19874 9229 190094 197777 199199 202466 120680 116456 125840 108786 170529 118461 89468 58710 76936 189646 250050 239468 153035 222999 163679 76324 78531 109396 47160 105240 95783 117618 90233 214625 191197 369343 116654 89868 153289 158257 267922 155351 273439 184101 151821 123244 72402 110378 237432 59339 107852 73028 78421 149271 FA(14:1) Tetradecenoic acid 89598 125133 110244 58277 91982 65834 57251 77287 154904 73007 168872 171157 174694 170618 172301 193062 200368 188935 266737 263935 260166 266828 266287 293542 309374 176468 176649 165635 189106 13464 13979 14679 14976 81420 75743 88287 88198 43807 45372 56039 44369 85887 99345 88884 66529 77723 171121 134577 141927 124907 150916 85421 86673 94917 123987 94636 83812 77045 90049 72186 149133 167859 156853 102275 97117 112150 126413 258989 162801 185699 178803 84197 72281 38221 95201 132503 76037 83017 95825 70012 62706 FA(14:2) Tetradecadienoic acid 139878 220850 169069 88450 150860 88001 102754 136758 258499 105127 242451 250784 248605 242210 237598 256022 263305 251871 286809 290810 294398 299098 295342 320357 329239 241255 254907 244086 256821 13407 13255 13478 5970 95545 97420 108791 112342 65675 59570 69714 66646 138607 187337 131633 127839 121894 256380 215592 218775 201965 230509 127232 168767 164022 149838 135013 159397 130856 132837 122779 235666 278653 227751 167387 161679 200192 202702 227084 186581 235357 228387 145435 141887 71042 175187 208831 80348 113518 135960 76279 107736 FA(15:0) Pentadecylic acid 52276 37534 51591 48963 80679 68273 102620 74447 55726 49353 11152 10840 12274 12076 12141 12491 12892 13824 11304 130483 115059 117693 119615 116174 128372 135138 137706 73610 70707 65613 67527 69175 73557 85211 124377 130010 119582 134371 85714 85382 83593 89243 105669 101791 109449 106209 68907 64260 86920 49940 65798 55975 73160 78958 69251 167907 126649 131718 79208 105552 65115 51760 79141 124131 155541 126003 108231 64820 85079 86414 90467 128966 91087 104155 84572 130568 377296 255515 162365 151702 41112 36293 34561 38849 115723 81466 65613 66946 113340 56362 FA(16:0) Palmitic acid 5586188 5088343 4150533 2667710 5565216 3564488 3410929 3533006 2971526 5291850 386593 389788 552017 518552 410456 408800 376230 518860 604653 4315386 4319337 4452069 4334781 4320574 4938959 4933281 5109297 5330171 4899394 5520264 5486766 5424447 5925323 5909491 4061988 4464729 4528897 4929706 2726814 2734020 3168977 3155595 3797589 3658959 4272621 4485175 2746206 2715159 3777057 2951403 3003615 2935986 3083301 3417974 3084543 4928793 5864746 3671094 3933873 5033940 3576215 2742741 3345945 2366241 2612374 4852916 3052275 2907598 3142557 58133 5348528 5763651 5086165 4484789 4834465 4649736 4665722 4253648 6114956 8215788 3193218 3074391 2685737 2962021 10041963 3374615 3299406 2774017 3049079 3299751 FA(16:0-COOH) Heptadecanedioic acid 50439 32796 79899 26875 63051 40276 38041 22108 25531 21027 8188 6814 6133 4382 5251 7680 7975 12097 14353 42886 51972 44245 45224 47576 52998 45666 44857 68420 70997 69256 68234 67048 68444 72109 52038 51912 53577 48193 23671 24218 21521 30094 35732 38624 37581 41474 38666 36559 36060 36240 38745 34745 101704 73954 60279 29723 20264 27548 30231 28859 46733 49621 60614 50097 56986 31900 25168 30019 26346 26828 37930 41894 28267 31049 32901 39374 27629 26293 29811 27497 50501 32535 29426 26271 40289 22679 28859 21611 21777 33365 FA(16:0-OH) Hydroxyhexadecanoic acid 67802 94430 74562 55810 101397 73834 83678 67537 97311 58503 16502 20257 50470 29881 14707 16251 19023 23690 19905 114629 115789 108339 110006 102082 112488 120511 110485 141006 145156 135681 138948 133288 135782 147447 117408 119753 109914 119173 56106 55735 52127 51783 102908 81645 76827 74940 60745 55871 71004 47752 80150 96493 105631 109828 129993 124117 90662 117556 97522 128430 97147 100316 99506 86069 84763 150556 98523 104559 100803 122702 93511 100519 110059 104815 139026 123414 131114 139123 121949 220708 63597 52648 45138 72373 210444 61704 77690 60648 53151 70126 FA(16:1) Hexadecenoic acid 530517 565728 484371 258524 403451 281029 373016 395390 383021 343634 26588 21065 35379 30978 29897 31919 12139 21321 19798 661273 610638 608214 594151 14442 681399 697525 647041 1037130 965717 970223 942760 955863 1118627 1123606 634163 585055 574678 686411 209347 211156 188358 195311 634875 603363 680151 653017 305736 302620 411103 253407 304497 417905 373625 440095 353906 16068 600796 18071 404133 755344 351668 265516 439344 671689 629474 576830 462952 325680 291677 744126 14373 608202 359568 387198 615564 526697 2284986 1318238 16805 872895 286274 288970 124802 230065 800092 348316 349186 371988 505026 11822 FA(17:0) Margaric acid 130668 139517 124048 109751 171658 137064 185705 135109 182228 127022 10605 8351 14159 14223 11119 10337 9294 10844 13058 235373 247683 249895 251826 254792 287123 290332 283630 296734 272212 313218 307428 286409 346734 355036 240973 247373 244565 276429 117007 117649 131689 143770 176334 162687 236592 213538 114436 109272 201795 99723 165072 152069 169185 217826 215689 299161 257651 222905 184358 264269 178740 132969 175245 241189 232622 281991 215615 194656 167619 282276 202248 239246 222366 210761 272734 260293 549617 390334 307183 433095 108683 96664 69390 105624 369078 120266 145730 103807 190204 159684 FA(18:0) Stearic acid 3777039 3822507 3510740 2943463 4585761 3387616 3372040 3100415 2896501 4227636 385380 396524 537028 516865 431735 422265 415025 505920 592033 3383672 4035389 4225893 4160356 4200213 4592718 4661484 4644422 4474614 4216782 4914601 4869205 4911295 5353177 5371152 3761401 4211400 4219126 4579008 3011712 2983325 3493648 3533504 2985009 2945969 3492456 3511854 2483789 2422129 3430294 2483771 3276184 3103564 3438315 4188734 3526440 4487018 4794972 3405749 4184953 4594168 3631742 2905195 3331495 2612493 3034981 4927495 3041622 3684775 3217474 3655583 4631219 4555037 5339705 4557722 4898419 4039973 3869661 4099728 4581273 7500391 3283094 2785322 2951962 3233321 7343407 3396890 3275619 2762208 2784328 3027333 FA(18:1) Octadecenoic acid 5739200 5346930 4416891 2168431 3625897 2855637 3259856 3447446 3683155 3677911 92938 67327 212027 146049 56493 63418 73485 115063 79282 4202437 4180914 4316261 4154327 4163204 4693689 4586059 4779547 9614556 8578934 9992650 9798385 9772008 10612789 10492081 4024850 4223918 4185043 4632676 1803169 1812819 1910372 1954886 5692979 5498939 6211289 6375953 3076743 2978490 4373508 2675515 2541140 3777916 3479523 4422537 3609577 3606231 5168249 3372264 2693602 5368501 3185347 2493451 3604137 2484451 2221044 4369762 2808058 2990322 2369743 6324368 4678661 4277335 2725403 2825175 5273034 2989406 4599014 3310899 5162779 4628296 2740929 3310597 1307526 2750798 7104249 1943560 2213425 2127239 3268767 3073513 FA(18:2) Octadecadienoic acid 5599240 5292257 4453865 2406570 2861817 3012511 3198321 3423249 4933949 3994694 869294 728694 1604875 1469825 987015 823134 841912 1219392 1430687 4082135 4251017 4354370 4332702 4361962 4933869 4742569 4836899 6526605 6357953 6837361 6856919 6662115 7264174 7300845 4030484 4451309 4581215 4994002 1472643 1441436 1938278 1944779 5637925 5549495 6434818 6613265 3408625 3297066 4654097 3567479 2910600 4789524 3552801 4729107 3734167 3473637 5204194 3210598 3002901 5479701 3050604 3026049 4003345 2819511 2287051 4396642 2885408 3327595 2554923 6649121 4312220 3708882 2535323 3179157 5818320 3382640 4648122 3085600 5218058 4849926 3786953 3489841 2186399 3662747 5865971 2843847 3166596 2789111 3635630 3938643 FA(18:3) Octadecatrienoic acid 733177 1646176 750250 551937 1028329 205473 426605 298407 1202651 290256 1107805 1061220 1042967 999536 997362 1141651 1169927 1098968 1410413 1338791 1296170 1259743 1263695 1425033 1466658 1113609 1039947 1009238 1140230 112601 117726 108790 107477 627053 599765 671393 656496 371508 356787 470233 309658 1344679 1461592 1692813 1994808 1525592 568986 409515 465844 847865 1546692 913934 1537854 1364399 970743 1261252 1571160 537586 1221841 575909 1422829 876086 676442 1706199 830407 2313325 1234038 804416 839900 787064 1626991 1245564 527403 498076 1324252 1856044 174587 745385 314040 283891 657555 FA(18:4) Octadecatetraenoic acid 114744 291740 215401 148427 213891 27593 67092 48992 179071 46413 169808 151886 155458 158248 155840 165565 162628 163992 154939 133937 141281 142440 136782 153678 149796 166994 164309 162085 161000 19988 19491 18031 18046 54697 55390 56372 54433 49859 47631 53613 33620 226277 211775 249150 227309 210901 105231 49501 99128 156639 169744 156496 233987 182481 161990 209638 163479 102739 124231 123751 141908 146582 160441 270902 173885 326450 282508 201220 154635 149002 218674 286368 114344 173407 205423 258790 44161 143463 69575 67927 144876 FA(19:1) Nonadecenoic acid 39691 39324 31758 19495 33571 20611 29657 30300 36217 23978 43448 41000 41151 42703 44643 50044 45487 47242 87017 89776 88188 90701 97103 101820 103703 45073 42544 40222 48637 14779 15151 13952 16307 41000 36252 43281 43389 20561 16636 31562 17257 31296 32449 31602 41821 43213 42616 46730 39443 31095 58080 28556 26122 35383 53363 40924 53583 36307 40394 27636 89352 40289 46545 37968 34368 65347 37442 120674 59442 47619 68272 23372 27361 14660 24764 86908 19439 24549 20951 40906 32094 FA(20:0) Arachidic acid 49195 52136 95851 54567 66911 57406 100282 48381 86096 63255 7133 6199 8427 8587 11133 10008 8466 10766 9430 87421 74687 117427 97005 106376 116693 120511 118752 158794 155083 156239 167139 167270 186146 188615 99804 100405 102877 116229 47142 44707 49198 54395 46363 43692 58478 55592 43620 44882 70031 38985 68631 62782 81766 106937 132776 169790 92524 96061 92786 138260 112801 61837 61170 76525 60323 159644 79275 126107 88362 177356 73242 98370 98404 79384 133736 134489 148290 106662 135110 280955 56025 42816 38339 47347 121767 72717 75252 43416 42020 65408 FA(20:1) Eicosenoic acid 506081 1273761 752130 1210506 674639 533462 926802 294309 1516792 298998 2552 1367 4918 3339 3440 3228 2349 3544 2996 1018695 1458905 1558978 1571540 1590802 1742500 1711570 1797311 2033391 1894692 2107580 2075690 2121277 2255760 2293333 1545313 1593278 1572766 1722851 91359 94079 98494 103281 657403 633121 787778 725699 412251 401308 622314 305758 1386992 1876221 2111665 3120376 2986621 1508353 496937 881948 1005240 2507639 2869090 1489826 1557013 1947363 995605 2262760 1175268 2702008 1293721 3197562 811850 746963 1156549 499986 2845713 1781924 1716086 2349892 1760944 3713910 1288701 542722 524002 1346970 1684484 183600 1638102 399380 428464 988614 FA(20:2) Eicosadienoic acid 241375 253056 146212 121972 129932 107886 143166 163489 368726 166837 273443 258415 265590 268777 261367 301525 304084 290454 779519 732332 755793 746602 733394 839736 852378 278566 262948 267815 296000 57641 60864 54587 56847 322209 304510 354622 326360 166318 155340 242567 117817 175629 213140 196553 304927 321502 227053 291489 207986 223570 566784 178414 190267 197883 211460 186241 457879 212493 368250 145391 870276 257523 217977 186034 133722 459565 256707 470483 257319 322325 557969 124403 158462 60491 191757 493726 71106 136365 101059 151269 252849 FA(20:3) Eicosatrienoic acid 797215 365695 193320 318197 401859 230773 302290 188280 820659 227873 21743 23628 39327 37021 34808 30264 34384 16014 38555 643554 635007 646943 390321 413019 680894 676215 654549 756761 806911 735070 899860 711968 860951 965528 254911 638869 638764 673550 137674 143626 142776 144039 452796 420712 473575 466230 312077 306463 412982 259191 494898 523107 587581 736035 712664 499767 724002 244095 525033 1439598 438785 479283 485625 409570 347335 976406 430416 934703 385907 1966418 474295 747026 566595 366040 1355048 517522 317987 446588 376172 1270755 410962 578430 212768 573162 899198 185832 418510 325477 267413 498126 FA(20:4) Arachidonic acid 11471940 13536577 9759245 8514064 10330834 7752601 9152268 9355271 10940816 8595713 74705 59035 275386 166724 97770 79103 106112 191685 198731 11911156 11803686 11851123 11560827 11494192 11939472 11784391 12026372 16969014 16388050 17159901 16979885 16611789 17160631 17078560 11705519 11802639 11473475 11896694 2773475 2852524 2839538 2910447 9947887 9805325 10327478 10351305 7272595 7034875 8873362 5757559 12221409 11534083 13940656 14177169 13604465 10547989 12035291 8815148 10846572 196203 12217349 12371787 12195009 10480687 11549000 14510408 9803764 13039287 8728740 16185214 12877136 11360659 12100339 9447496 13945608 9194012 9254540 10711014 10534025 12915471 8945636 9934827 5175727 10912814 14625918 5524848 8885131 6978002 5855593 7585749 FA(20:5(5Z_8Z_11Z_14Z_17Z))) DPA 1723795 3225593 27662 826204 1677056 316191 936751 986890 2944383 761311 6910 6879 11847 8431 8886 7742 6526 6908 8465 2087151 1908538 1955012 30003 1846100 2005752 27595 2001649 2753420 2541157 2570983 2534979 2485305 2687909 2695539 27290 1958115 1882791 1970734 405504 414388 364260 376171 1026952 995937 1006668 956789 786185 730466 908590 514350 2015661 19487 17771 1917265 1949303 1761724 1279581 1177734 2359053 3170384 1211287 1589778 1107981 1027656 1349675 3086248 1151410 2314455 1362806 3604391 2123575 2130662 2417458 1705474 4150010 4078189 3644215 2530095 2889391 4718127 2390438 1526478 897419 21617 4404452 408396 2004748 946530 614109 1967835 FA(22:0) Behenic acid 9301 9705 123680 10868 12458 11315 15699 11719 18381 9455 3454 2693 5267 4408 3185 2962 3171 4195 5210 17602 20653 19516 18437 19622 23979 22977 28176 21732 21092 24269 22209 23342 27983 24343 17426 18106 21430 20866 13270 14783 17747 19111 11776 9388 14519 14594 9687 8735 12824 13893 14417 12465 18402 24936 24820 43701 22883 20110 20072 44176 25942 10145 27819 16974 16863 40214 17346 28665 22842 36935 22113 27124 14681 19224 24670 28799 35715 27895 29334 51265 9716 9465 8240 10033 19717 134193 15814 10881 7434 8635 FA(22:3) Docosatrienoic acid 59323 53401 37320 23409 28234 22303 30317 42504 71964 41623 55403 51401 51151 53825 56655 60213 55651 52547 149828 136142 148445 151273 142824 165023 163250 51958 51760 55446 57130 7631 7414 5876 8065 33581 32135 43541 40038 20987 19497 31891 15944 29134 25700 26457 38011 62933 57405 63402 55386 57547 113993 28767 24088 32113 44890 31887 73281 49566 76151 41245 183492 57533 54554 33418 27277 77870 50270 98968 47454 78675 118323 19508 48906 19185 30899 105527 19557 31201 30784 43524 57738 FA(22:4) Docosatetraenoic acid 2849912 3601462 1410300 1726945 1971453 1108406 1897517 2161796 5200337 2011270 3280186 3298646 3475810 3397496 3382475 3624544 3536037 3593406 5731368 5257128 5797059 5702026 5543786 5851939 5903804 3268793 3408386 3386039 3532940 180246 188560 181409 194347 1946455 1916084 2222722 2083850 1213230 1150236 1820841 894727 2750602 2495971 2422502 3516275 4104558 3790159 3198506 2767411 4806078 7555788 2661159 3038773 2646934 2525145 2192547 6421482 3680443 6158555 3592007 8100845 3725666 2879064 3607441 2233838 4495645 4150572 3214673 3072149 4356211 7478408 1363207 2367519 1132916 2743553 5719145 916579 2149566 1931437 1509878 3362893 FA(22:5) Docosapentaenoic acid 571568 914433 415763 621099 735823 1817362 3223491 2968448 1086317 2765834 4957583 4996795 911736 874016 776336 5397945 5288588 887473 1265885 6589648 6971076 8512284 6794895 8617409 8697744 724234 941835 778155 5285915 386746 389628 406011 428644 2597206 2464055 2964543 2803290 1822952 1731066 2595899 1166855 1140664 887369 1144556 1660252 4734684 842437 3963923 3449694 1101652 7660382 1003365 3122839 1317429 1252697 984480 1660378 787036 1756300 901474 1770239 1131195 645060 6302166 782079 1351376 7504137 6559068 5729593 6489258 12389725 523156 570505 492516 980956 7343809 274157 3975626 550509 2518672 5594854 FA(22:6(4Z_7Z_10Z_16Z_19Z)) DHA 6256364 9140409 7183071 7648069 9942396 5014045 7633579 6199308 11068422 5164758 214228 193719 470936 427179 315777 272578 245167 426424 429340 9521387 9456334 9669391 9376548 9288456 9526089 9407223 9552084 11449183 11271697 11602820 11518812 11356593 11694856 11642284 9327846 9561053 9233360 9599719 2099153 2182975 2274469 2320717 5351644 5148652 5718205 5629198 4524332 4322685 5889817 2582048 9675602 9075799 9962121 10765538 11517226 10240115 8287283 8359722 10792695 11816899 9355902 9922808 8903333 8138461 9026884 12716823 9494693 11902106 9057707 11419286 10293114 7430163 11771737 10444354 12611970 12169511 10571809 11865356 10424671 15211745 8829164 6461539 6660904 9892167 12467481 5959173 8968665 6746599 6186743 8304706 FA(23:0) Tricosylic acid FA(24:0) Lignoceric acid 5231 7324 12529 12564 9394 11895 13599 11382 14646 7219 4547 3666 5347 4589 4513 4185 4596 5807 5655 15625 20726 18999 18019 20131 16700 18719 22394 14921 17456 18449 18478 19234 19022 16882 17499 19854 19812 18385 11996 11406 12360 16054 7856 9473 10304 14443 8555 9228 15891 10932 9719 13283 13976 18030 19352 29366 14932 20567 18879 42609 18586 7775 21503 14542 9870 33673 12765 32805 19640 26669 11768 16589 8235 11886 24800 30361 31805 31307 27064 46001 6235 6894 6967 8062 12006 14838 12650 11695 8295 8432 FA(24:1) Tetracosenoic acid 34353 53664 61958 69604 45876 58184 86334 42664 69871 33211 85881 83382 90047 78110 63779 100550 93077 99945 95755 97939 101554 110949 126724 115894 111359 81232 84185 91590 94712 11338 12097 12512 13682 43451 41941 51945 49028 47756 47304 68034 57458 60881 81698 88399 180183 162715 132966 71769 92374 84990 165387 164211 54967 66267 107299 50647 146963 68396 183958 79302 181165 55778 72244 37480 37673 139826 115094 126296 177532 155109 287014 57008 39358 37053 53599 76150 17927 100683 43842 42190 44302 FA(26:0) Cerotic acid 8831 14899 18820 28030 18592 22096 33384 18371 16486 14298 3244 3651 4519 3757 4840 4234 5216 5028 4793 39069 42880 43576 39940 40825 48760 41716 48435 77694 77326 70227 72242 76788 88632 79870 38908 37483 42590 45123 12430 8664 10340 15445 12218 16439 16368 19041 14904 14363 25835 24537 25337 26063 47165 40131 52180 30979 31507 27018 48794 35260 19259 32638 28922 29686 45688 34346 62768 33978 36892 18209 23522 16877 18710 39603 46638 39384 53955 43253 101203 11429 12018 15437 16413 27718 19900 25995 22729 16858 19806 FA(8:0-COOH) Azelaic acid 2997 5428 5488 5463 9037 5772 8426 6458 6803 5475 18378 14878 14221 16030 15801 16135 16400 13588 13115 9463 11535 10716 11480 11370 10239 19316 15825 14583 15505 6292 6740 7542 5785 8592 8363 6697 7747 6029 6882 5634 7889 5941 4539 6226 5519 6494 6556 8751 8452 5896 7011 6043 5671 6985 5569 5372 7481 6388 6904 6267 5562 6507 7150 6784 6238 7742 8716 8045 9772 6901 5242 5501 7421 5596 6424 7524 5761 5059 6151 5578 7334 FA(8:0-OH) Hydroxyoctanoic acid 17279 13972 31436 10074 13157 21476 15491 12751 16134 13691 28837 27083 26778 24609 24284 23548 26310 23163 46745 45432 43955 38214 40613 40647 44612 28329 24539 26329 24855 8770 8577 7656 6787 30882 28477 26454 25640 18240 14821 13959 31138 16848 12956 7151 11635 15112 17455 23095 15763 17707 19410 10231 11545 15884 7521 12529 13357 11426 10380 16786 17326 26718 13024 9972 12521 14444 19842 16459 16616 13903 18111 14798 9773 11558 16905 9458 14921 11652 9036 15818 FA(9:0-COOH) Azelaic acid 70356 128804 89816 84130 130481 97581 124426 110770 79399 86014 80785 74781 70247 68763 75894 79634 79150 62518 66147 202538 190253 186161 189667 186292 193987 191260 177067 204641 199600 195073 187437 191938 196766 194412 198943 185663 188520 205330 120629 123358 100295 102925 127253 131548 116309 113381 117961 112098 96281 100776 83596 90067 105343 111223 91521 89022 107102 127116 84943 91357 136509 107673 128496 101774 150226 124691 96680 77794 100970 112255 85284 126301 93028 99180 96821 150187 94381 116499 99698 88955 74610 75939 76696 85178 125578 104804 77682 105652 75813 83095 gamma-glutamylisoleucine gamma-Glutamylisoleucine 7546 7584 10021 5201 10549 6864 7960 7719 5001 5344 7189 7322 7612 7560 7045 8770 7432 7815 7580 6603 7246 5172 6473 6321 6077 8072 7935 8225 6549 3916 2310 4214 3183 7089 7865 8331 6670 6893 6274 4695 5865 7935 8979 9496 10636 8748 8031 6588 5530 6854 7337 8789 9743 8226 9941 7977 8807 6976 7325 7182 6637 9468 9550 7647 10071 8962 6311 6642 7556 6028 7570 7710 9574 9267 8095 7363 8649 8784 8401 6457 6118 gamma-glutamylleucine gamma-Glutamylleucine 74242 83102 98249 60876 10146 63663 8014 69993 71140 63155 75479 7057 79548 7511 80254 77511 7549 7697 64403 67341 71330 66866 65469 64905 62738 80438 76121 83820 76606 20953 19542 17763 18198 62201 7789 61664 61297 56294 55390 50737 6118 83567 89345 9552 97932 88025 76059 68227 70917 75723 76419 87392 103881 90022 91533 8287 83157 74175 81847 72903 76120 87490 9543 91952 10436 100181 71395 68003 74842 65668 67330 100026 9261 9276 84985 7676 8583 80598 77492 69375 72785 gibberellic acid Gibberellin A3 12678014 12808972 12585851 12665064 12949250 12836026 13313160 12769795 12706315 12818195 13201076 13150933 13142767 13142043 13069668 13011047 13052696 12974426 12976473 13063508 13127345 12871632 11130579 11076338 11050867 10997986 11060730 11118832 11063626 13144221 13008261 13001087 13139821 12741868 12774858 12851057 12708684 12618966 12643810 12708502 12677560 12709984 12654073 12479954 13113976 13095513 13317037 12682967 12825862 12910136 13076121 12874021 13298118 13227018 13299806 13032469 13261325 12829180 12819196 12978212 13335089 12903943 12821858 12805036 12627434 13132716 13339475 13291136 13067290 13082161 13787837 13253755 13183823 13035545 12891954 12637858 12953873 12796164 12592384 13246780 12954753 12913435 12789839 12692408 12915476 glutamate Glutamic acid 809884 757482 688467 748182 902613 632558 766544 33190 747935 890777 4832 3879 4214 4365 5608 5836 4869 7529 7104 747184 42094 704143 688289 25075 684826 18933 643111 923468 878107 892669 878779 855202 851180 818355 694919 695489 702125 675816 119954 120671 8596 108523 779575 757018 646794 20824 828377 829270 671407 12951 920163 826113 879881 727174 931979 10999 8336 968522 921331 892062 775153 936303 707293 33555 927908 858018 918132 922770 894451 844169 935346 979547 41812 845499 769649 904095 935592 782941 907397 922256 820468 917687 855380 912588 25086 13943 818637 776395 931978 936818 glutamate-13C5 Glutamic acid 19792 15859 16468 20991 16893 20992 18004 18659 14838 18519 522029 505359 437128 416416 19779 17664 17986 19155 18459 20004 14569 17236 18070 21170 19831 21346 17354 18557 18749 18713 20453 19554 18640 71363 70878 75134 48517 23175 20345 17291 17445 20194 20316 19573 17308 19213 16828 16180 14069 17832 15560 16445 18094 20671 16840 20180 15949 14941 16766 16179 15645 15729 18399 19016 16710 16179 17558 18434 15989 16037 17940 18651 19156 15204 16367 18305 16870 16399 18187 17885 18988 16047 18160 19081 15760 glutamine Glutamine 489305 472452 529671 463634 548150 534872 568207 468254 440346 515412 5453 20710 24185 22243 35152 31211 522639 497479 460727 454462 447807 458586 456417 414291 775115 747737 694929 675279 669910 712731 689286 522702 468067 458055 465855 219085 216850 187461 155802 555028 547552 468022 444716 496227 505468 386763 390391 542892 490991 534309 486042 560199 445757 501636 567583 448631 511208 525543 565271 496286 528490 579855 543580 495071 475536 504825 514436 542161 576272 506875 483449 503946 476990 492169 564559 475366 456927 530026 496917 497134 462315 517396 512323 508165 496708 485140 507481 glutamine-13C5 Glutamine 10560 11266 11314 15458 10896 12342 9097 11305 10434 11709 346893 341252 320578 464435 9574 11106 9530 10206 10724 12079 10288 9891 13613 13461 12504 13844 11754 13768 13986 10025 11715 10145 10667 12955 12708 12764 9823 12736 9256 10657 10282 11901 11051 10013 10859 13290 11291 11220 8664 11552 11404 11525 10932 11110 9676 12398 8967 9173 10638 10884 10519 10063 10563 9835 10445 10220 9318 10400 10350 10670 11633 9508 10566 9816 11663 11335 11905 8423 10003 9810 11897 9736 10460 11884 9619 glutarate Glutaric acid 7353 8320 12414 7413 8844 10726 7659 9107 6981 7132 8616 7282 9181 9855 8983 10027 9312 10948 15629 16077 11062 11466 12380 12236 15208 9657 9202 9644 9042 8269 8602 10429 8374 11294 11056 9878 11411 6236 8041 9138 6544 8887 8218 9747 8941 8236 11348 9613 36936 5810 7120 8875 8914 8846 8011 8068 9096 7872 7728 6627 6430 7885 8221 11767 10492 10204 6840 5022 8438 7065 7455 7488 5873 9006 5068 11387 6039 4967 4478 5470 7156 glycochenodeoxycholate Glycochenodeoxycholic acid 49471 27484 54447 25573 38003 25927 30513 15115 14207 22560 3881 3330 10141 5471 27025 26090 25305 23940 26530 28145 28457 19917 18693 20531 20918 22681 24581 26516 28572 26582 25568 27921 30629 6912 4552 10838 9314 19474 13666 14251 9849 9561 9643 18465 18056 12373 52924 80966 81398 14913 19829 16783 13086 11605 12695 19932 33585 24212 31702 14285 17520 28661 14463 14602 46305 24980 35373 24496 34743 12023 12550 11618 13896 20891 23745 13591 26814 39650 40973 8255 44826 18586 15380 10912 glycocholate Glycocholic acid 711152 869031 610229 317569 837285 512664 1029197 128426 291407 131267 507008 477399 479084 478801 460052 480539 495354 479639 427685 399243 384937 389514 386531 393066 403356 504968 471813 484406 490868 26573 27941 32809 24711 57141 69685 62963 68901 133339 143290 131727 121459 244342 313788 2761740 1311410 1615071 36041 367454 96704 97697 29067 28147 554489 524216 214013 1177962 37923 286126 716054 150424 88793 570134 640241 1570635 274848 716574 18731 18086 36229 90551 77161 477430 176293 647619 758001 593501 93199 738742 94831 356131 127682 glycodeoxycholate Glycodeoxycholic acid 47835 27102 51687 25031 36825 23388 29356 14634 13579 21156 25752 25713 24268 23665 25246 27079 27888 25648 18704 20810 20918 22681 24581 26516 28278 25822 24125 25439 29822 3837 9206 10838 9449 19577 13666 14464 10470 13633 16526 17028 17836 11941 48184 78261 79538 14549 19343 16243 8604 11197 12530 19754 33004 23617 30954 13721 17197 27752 14195 14282 44939 24690 34727 23897 34474 11918 12099 10672 13282 20189 23022 13183 26531 36664 40673 7962 43575 17241 14988 glycohyocholate Glycohyocholic acid 710893 874069 610663 315439 835618 514157 1025920 128426 291482 131267 507203 490355 477879 479559 459370 474088 496024 479890 420895 399369 383906 404076 385619 392985 404811 504567 471407 479473 493139 41088 26393 32418 24163 57819 60119 64384 68901 133378 143378 134169 122190 244786 305736 2754232 1310992 1604477 32577 367351 88911 97228 34234 26306 528552 527604 213707 1189898 37761 285572 710738 149608 88787 570144 636816 1570635 270927 711418 18641 18028 49627 88513 77146 474944 176252 647808 758891 593592 92573 738808 97295 360183 128492 glycohyodeoxycholate Glycohyodeoxycholic acid 13847 12618 17857 10375 12981 9238 3937 1145 8087 4749 21826 20667 21510 20768 21478 22494 22514 18206 16289 11575 13940 17310 17763 15949 18048 23211 19856 19913 21367 9365 11679 9146 12071 5832 6304 5153 6222 5775 5737 6004 1743 20772 18508 24585 139182 256126 4486 6992 17807 3842 9480 11796 48352 75943 34629 57009 12126 4296 16742 6160 14542 10498 8120 17439 10495 12386 2014 2000 2932 10594 10801 11482 7088 12142 14514 15237 3135 15124 4405 4633 5381 glycoursodeoxycholate Glycoursodeoxycholic acid 14151 12721 18142 10452 13482 9321 4155 1393 8181 5118 22136 20977 21694 20890 21742 22784 22803 21526 16681 11757 16860 17493 17917 16449 18125 23579 20136 20595 21367 10399 12378 11382 12691 6240 6420 5153 6496 6928 6485 6599 2031 20821 18508 25196 139261 256791 4844 7689 18011 4184 9729 12119 48551 76625 34886 57347 12308 4296 16817 6245 15110 13391 8213 17439 10709 12577 2121 2132 3178 10758 10985 11569 7263 12743 14947 15464 3426 15354 4796 4633 5575 hippurate Hippuric acid 69091 88706 65709 117869 206470 62376 112642 67457 85474 39116 80565 84020 82088 83835 83628 82197 81680 77201 72261 70446 74741 71452 72644 71410 67735 83480 90465 83866 79254 110090 108418 103411 103612 126537 122996 123526 123211 88225 83849 82165 80875 50307 85629 33750 151624 73349 52238 23163 14232 31695 48665 63499 104548 61236 75546 86844 55163 73195 62071 110772 44257 74190 110223 83706 79092 98093 68485 81913 47062 74935 64845 61017 122544 136196 112377 215285 66814 58089 80498 75889 68106 histidine Histidine 125761 114652 120881 132756 144970 118937 126743 123219 128913 130100 2257 2447 1792 1565 1392 1423 1973 2375 2320 137701 136540 129589 131648 127106 134061 129863 128525 149052 146334 135781 144644 145533 136116 140938 131680 132993 127729 130281 356161 355823 371927 240117 123656 118710 114116 110978 112756 110390 102417 106856 123549 122391 136902 113672 140787 125756 129985 132754 138138 124399 113169 128982 111945 119309 132478 131333 142203 129828 137149 126855 162190 131590 159483 145451 140455 133292 151302 131990 132340 124179 127589 122362 143752 153467 132031 127621 130799 143971 131302 147703 histidine-13C6 Histidine 2844 2670 2669 4031 2664 3565 2312 2851 2010 2673 82440 86330 76780 77406 2339 2224 3318 2608 2596 2944 2897 2507 3699 3041 2749 1931 2853 3057 3601 2403 2994 2653 2888 2707 3186 2746 2972 3398 2801 2624 2278 3109 3569 2391 2850 2474 2934 4020 2586 3685 3494 3270 2558 3731 3358 3066 3538 3070 3484 3786 3468 2617 3535 1432 2200 1750 2763 3089 2441 2787 2817 2921 2358 2742 3379 2971 2928 2301 2680 2557 2588 2566 2834 2517 3053 hydroxyindole acetate 5-Hydroxyindoleacetic acid 8472 8788 6843 4071 5278 10367 12148 6597 6181 6251 4858 6215 3946 4467 4508 5350 5178 5143 8804 8201 8511 8243 8558 8120 8991 4670 4873 5648 4594 4635 4853 4777 4458 7817 9657 6548 7555 4024 5358 5119 6091 4405 9941 6636 5326 13538 7282 4564 9452 4307 4383 7591 9878 5755 3435 5611 4254 4479 4040 3224 4117 6985 4206 3023 4310 4362 6453 3655 4292 3925 4382 2149 hydroxyphenyllactic acid Hydroxyphenyllactic acid 114270 109458 149568 105580 180002 123742 180968 150811 147734 120080 158148 146971 143742 145013 145603 146404 140436 134472 231102 219241 224177 219888 214964 211573 205786 155602 149074 142334 137405 118540 119206 104047 100941 242438 237228 199646 192970 122609 125284 96593 107702 136404 128172 153637 130251 138103 139169 132532 144725 140276 159749 111376 139996 132801 147269 164048 152685 142896 149101 137068 156219 147821 164283 168439 135315 138447 161673 181420 147817 130616 134546 150987 130620 144303 145068 178862 135719 155970 162975 150973 170381 hyodeoxycholate Hyodeoxycholic acid 62739 34512 43894 15147 46729 16741 26325 8089 6413 11737 58274 60288 60925 60310 58626 64686 71635 65848 35689 23240 31114 27159 34798 37991 35973 63205 57640 53930 74496 96853 97325 99405 92417 14412 16487 15497 11160 24114 23013 28765 6597 113844 87666 144308 342543 411259 7915 33020 98260 10942 66123 124126 146521 386135 102841 255688 93101 5344 55856 13532 35462 64734 18342 29625 28839 24733 14473 5309 15740 73228 45724 33147 9596 19357 9490 36020 18750 12961 8694 9160 34258 indoleacrylate Indoleacrylic acid 21058 23122 25921 19100 24036 21041 21998 21856 20092 21290 22334 21261 21793 23642 21924 22234 22881 24085 24541 22984 23231 21761 21840 23967 25028 20438 22710 22677 20754 22611 25653 24752 27170 25920 27651 29192 27549 20574 20514 20098 21645 21363 21221 28113 24061 21224 20840 20941 18717 20752 22518 28104 25040 24128 23355 23691 19282 18570 20359 17576 21545 23549 23438 20969 21669 23051 25544 23827 18192 20657 21612 21776 22409 23361 21863 24185 18614 22414 20555 21424 23063 indole lactate Indolelactic acid 6625 6833 7155 8726 9018 7780 9329 7712 6871 6686 9108 9890 8836 7945 7924 9080 7501 7946 13294 13427 12656 12499 13158 14483 12973 8268 9883 8949 7987 9532 9989 8551 9400 15916 17208 14430 16024 6435 8526 6414 7524 8302 8252 9872 10590 7225 7618 8528 8361 7694 7378 9579 10980 7455 8180 8603 7207 9144 7614 8021 10789 9103 8591 10068 7811 8147 12654 12415 5799 7780 8112 7428 8512 7438 8066 11765 7836 7911 7754 8628 10717 isoleucine-13C6 Isoleucine 157802 169235 150251 157180 144888 161471 155834 180681 175259 199598 784565 808847 726844 748179 180320 190086 195628 194395 183879 173638 168967 137871 97426 82652 96747 93843 86949 86360 105742 179634 189351 186951 138529 672608 181764 131200 137144 112294 118424 102878 104351 148806 144264 121174 76298 160842 185209 145273 137426 172367 174413 160002 175688 189953 166538 143085 184200 180339 169163 160954 153964 159609 163914 164753 183889 159643 139721 144763 142598 180224 166350 167590 136982 150211 169561 163077 164731 169721 185539 175194 180867 180072 192777 190417 196982 isoleucine-13C6+leucine-13C6 Isoleucine 636609 653457 581625 632282 582228 663605 685074 689508 663643 715548 2239455 2265829 2106983 2115635 759162 727892 698699 698175 678954 707359 705393 618355 520989 477394 513100 477816 449184 499936 516921 760171 709072 671285 678406 867043 876459 645979 723117 586670 607975 543809 532800 689146 687079 599212 585123 636345 735439 583586 627692 663061 666695 654583 740730 685149 724362 602252 714126 692032 647166 730626 673871 635078 652950 655065 660105 666520 636128 671824 581890 643711 721976 708931 711075 652994 643972 609623 644449 663756 681361 636888 725082 675048 691023 697330 736231 ketoleucine Ketoleucine 16635 22529 15283 12042 28332 23069 22431 10561 13750 25716 35186 36754 38143 35923 37596 34731 35836 34214 3861 3727 4287 2823 3400 4191 2645 36675 39015 37095 36512 261249 259827 241597 237527 49093 47147 43439 48486 31380 28096 24177 27462 38692 56936 51839 80031 43469 16531 8696 13837 12665 28737 21681 85904 65529 57894 35028 23203 14310 26861 17416 16691 28139 20020 15386 30001 25300 13009 11650 20333 20733 17351 20130 17708 17132 16323 22434 14167 13779 18942 16138 8998 kynurenate Kynurenic acid 133574 115740 113460 108613 146533 141656 127263 162107 138773 176623 125046 124997 130381 127821 123127 130365 125926 126026 137733 138097 145138 142323 146412 146899 143851 121121 129652 126301 129027 65198 64442 63851 66599 152881 154258 188403 185870 166478 163241 189515 198455 147793 126786 119418 113926 123540 149448 134048 162445 138463 126604 150029 147581 158610 140852 145221 152790 124988 131552 147634 356890 162592 161027 148391 155003 144640 165293 172511 157598 143172 240068 127311 138375 167860 154364 141544 141202 155852 179536 156869 171734 lactate Lactic acid 4502542 3053393 4344344 4390949 2620077 5009747 5387181 5459654 2550593 5805312 30624 27424 29738 26384 23783 17647 20433 24077 24474 3744094 3638313 3621951 3571910 3474670 3348052 3147730 2917999 2839054 2738399 2745872 2696587 2646419 2581829 2400265 3638390 3635116 3381038 3213695 2881721 2858960 2642219 2378818 5821019 5701023 4801234 4811874 5408862 5517002 4462467 4564323 3251559 1644800 2323335 1208054 1704891 3028029 4206387 4334540 2636775 1815331 5240864 1281905 1230781 1845124 927900 2194011 3435767 1658376 3346043 3307018 2331042 4076100 2750107 2679398 1388995 2980963 4126479 2695670 2884910 2733572 3015778 4154129 4306018 2287425 3673912 5040506 3674708 2970454 5082423 4418446 lactate-13C3 Lactic acid 126214 159989 113526 125118 151338 89769 127687 114031 178378 125276 1486633 1483588 1282496 1311469 141671 150835 134846 140079 122914 114970 137278 128306 93356 115307 101985 120029 118649 121581 98627 147463 146257 128765 139958 188934 172739 156032 156272 89764 96043 80111 81718 93429 101997 72687 75215 133346 180590 146830 165554 160023 129909 100245 109429 131638 168896 98977 153756 179736 154694 126931 139045 132632 129277 115369 129281 149625 103581 101677 147368 179639 125170 128182 146202 123584 151280 112684 156411 98345 131423 137537 114295 149448 143174 110185 137097 leucine-13C6 Leucine 455338 465583 404716 448738 414244 470054 498373 483224 464603 487900 1397298 1424347 1328841 1325703 565752 520928 485292 483873 476331 520484 517822 462744 408990 374605 393321 366467 341327 395961 394320 564636 502539 462053 513754 672668 181895 518660 593405 447906 465779 417409 406299 516441 522031 460442 503593 448790 521818 415259 474671 466516 467891 471123 539987 467253 542176 433156 494641 481644 454612 542103 494292 448361 466260 467023 457922 484313 478171 511683 413997 444611 537246 521448 555911 482588 450370 423487 451845 468866 471380 435185 517292 473891 472783 479375 518507 lithocholate Lithocholic acid lithocholate glycine conjugate Glycolithocholic acid lysine-13C6 Lysine 7373 5211 7631 6228 5413 5826 6667 7870 7862 9650 147937 148047 149683 149852 6276 6784 6721 6440 6948 7893 6287 8045 5817 5592 7151 6423 7656 5267 6486 5566 8128 6622 5888 6281 5348 7385 6719 6841 7538 6966 6828 5334 5806 6272 5583 5387 6464 6529 5926 5837 7586 8264 8132 6325 6678 4873 7070 6551 6169 7456 7034 6115 7229 6763 5653 7775 6291 5597 6131 5069 7697 6097 6432 6269 6593 8072 7788 6760 7472 5688 malate Malic acid 699912 614764 1029816 754574 735111 1090828 608446 725962 473804 444793 20025 22335 24338 24576 13227 11331 11045 8532 8416 675628 577521 565950 546964 543611 537275 515924 488417 654035 671224 651776 660491 675216 659981 614839 647783 576794 543708 555041 418315 441334 439216 381523 1155318 1145577 862133 864914 838589 829901 598092 623619 725489 685224 627922 437452 510407 643446 711131 705749 472202 554011 917487 631140 588927 519957 669957 739785 624338 549500 681774 683265 378682 623471 627626 389089 656035 616460 576283 696565 499593 422247 969686 637248 576052 608209 530292 516598 509435 482230 499394 559227 malate-13C4 Malic acid 35150 30030 24269 37583 31844 31151 32219 45178 36133 34802 84256 88733 82280 79009 34430 24155 32136 31290 28482 28906 27743 27094 22877 27325 25117 24805 25300 22564 21466 32137 29426 28290 30562 40240 41841 43160 38176 60083 44769 44003 42963 47309 43799 31484 34648 24688 32458 24925 22192 34360 35340 44935 50449 43527 30833 27339 29008 26044 27362 38228 32321 38429 27753 36940 43383 33370 39152 58560 29995 26113 32738 44963 32513 30298 36407 22085 33337 30097 34220 27794 32448 29974 31136 43715 37633 maleate Maleic acid 834148 715611 1102971 956550 945842 1251551 736014 942994 599566 243208 771050 708279 684772 666909 629414 618790 605552 568259 334829 339025 355289 331202 330186 323826 309301 769709 666644 623307 604410 435898 437374 393842 377441 1483792 1411044 994735 994827 1032975 1024035 651384 704810 784744 808721 387879 222949 642739 860238 902887 943004 647200 588439 1039847 691658 265585 338718 900721 964421 795169 395997 867870 874759 457627 783724 903244 490327 796869 780051 758506 887106 630347 565437 408209 779979 737613 680058 628366 355307 353134 357138 584968 367904 methyl-3-hydroxybenzoate Methyl 3-hydroxybenzoate m-hydroxybenzoate 3-Hydroxybenzoic acid 10524 12123 10156 21990 32254 16290 18030 17301 13371 14890 20783 19360 18364 19525 20359 18902 18276 18015 17977 18240 19657 20325 18632 19038 16897 19665 20310 19834 19028 19516 22309 17602 15237 15016 11519 11645 15569 13113 10728 9309 15136 11543 12863 9058 13141 11856 16855 13570 16096 9336 17111 8018 11258 14789 11691 14679 7538 17110 12239 11729 21987 14429 13478 16604 18852 29796 18004 15543 16594 10768 17568 16330 19814 30128 15377 12696 23517 16508 18578 N-acetylleucine N-Acetylleucine 16040 16163 16911 12441 17912 14492 11147 10816 10005 9464 13068 13780 15036 12345 13936 14639 13414 11337 23237 23132 21250 22731 20696 22136 19808 12568 13034 14798 14606 5873 5841 5028 4716 13271 14922 14262 13094 9315 10340 9054 10055 21202 18067 22492 20186 17522 10767 9217 12576 10620 7626 19179 17283 13166 15998 16644 13443 11769 9493 11210 9024 14148 14680 13211 15769 14994 9202 9731 9320 9733 8782 13760 16192 17177 11429 13326 9833 10822 9567 11856 14182 N-acetylphenylalanine N-Acetylphenylalanine 10237 6366 9539 5489 8413 8687 10625 8233 7586 9304 7828 8044 8328 6360 9232 9764 8271 7410 17915 16668 16789 16228 15944 17026 15560 7650 6025 6779 9408 5867 5110 5108 5647 11801 10997 12097 11518 7597 7714 8120 10893 11069 8993 12643 7720 8224 7377 6428 9061 6618 6739 11178 9137 9063 8268 6791 7044 7867 4305 6482 5105 11076 5346 7729 12088 6109 6505 5919 5945 6099 8423 10130 10490 10498 7598 6881 5848 7394 6232 7210 10125 naproxen Naproxen N-methylaspartate N-Methyl-D-aspartic acid 10066 12358 8242 18758 7802 32166 9244 6724 15185 15616 10888 8273 9741 8254 9708 8027 9175 6161 9598 13878 10882 14726 16393 10414 12634 12564 8539 7746 10243 23401 32519 32878 28352 29436 24160 21877 22501 28230 31001 21951 24662 9155 26044 11076 10639 7885 10730 17521 15882 8027 12576 7772 36073 23762 18599 35035 9138 8966 9294 7290 13182 16770 10297 9613 14278 7052 8887 9232 11971 10642 10643 10920 13528 19310 17755 10293 9539 10864 22644 28278 10809 omega-muricholate omega-Muricholic acid 53507 11898 34508 9556 23634 13851 37978 15463 7587 15017 25356 26398 22978 23756 22032 28572 27412 28835 23791 20891 20759 23076 20866 23564 21483 26654 28568 26955 28871 17179 14436 16290 13431 16129 15249 18474 17034 32761 30745 33267 33958 6319 4380 171091 54109 36811 9744 15461 3583 19151 2620 6035 13843 52089 7162 23792 5909 8799 133580 30455 21909 89778 11554 13858 14191 10274 11394 10715 7794 6191 7936 15008 12586 9640 4459 23733 15907 24795 12284 8859 44219 ortho-hydroxyphenylacetate 2-Hydroxyphenylacetic acid oxaloacetate Oxaloacetic acid PA(16:0) PA 16:0 PA(18:1) PA 18:1 pantothenate Pantothenic acid phenylacetate Phenyl acetate 85210 83186 115045 80943 122233 92518 127250 110412 108101 91882 112752 107629 106994 108293 108716 109092 110994 107049 176309 162214 161032 163206 159648 163039 164563 112644 116028 107469 110899 84223 83712 83365 82516 160129 159824 161510 165854 85694 83010 83085 81797 107386 97479 114796 104317 105311 109102 98456 101008 97512 118630 85784 105704 101082 115722 116598 102309 104755 113305 104506 115425 116233 123399 121339 104735 107662 116306 135651 109289 103992 104085 109839 102455 114827 108889 126366 103943 117493 120545 112438 133756 phenylalanine Phenylalanine 1690726 1563822 1779960 1489191 1987169 1883838 1831843 1797721 1651435 1562227 1932868 1819262 1841094 1833800 1816204 1833625 1786616 1759594 1445903 1397079 1425291 1393845 1349488 1338882 1330016 1935180 1872942 1827878 1789587 1628296 1608619 1482258 1441238 1666827 1668774 1506554 1517153 1553459 1543749 1384567 1436024 1813554 1811048 1991342 1887426 1750639 1759906 1646480 1806676 1831014 1653577 1973513 1952276 1670854 1835573 1777615 2033316 1670431 1653917 1748816 1684437 1819228 1946300 1925776 1930259 1944001 1825721 1838874 1796766 1658566 1721425 1927984 1737936 2113913 1699225 1963048 1708924 1884901 1768963 1886566 2154352 phenylalanine-13C9 Phenylalanine 965347 928049 950309 970108 934621 958652 943018 961063 966830 944548 1384022 1382055 1331102 1316483 947620 978103 1000154 984011 936035 969846 950522 922652 27997 759082 766091 760446 745462 25362 729634 944441 989038 966952 936876 961525 951671 967632 922098 915194 927321 901719 904022 931302 923005 887272 962837 925585 1039895 913730 900238 970896 984834 899462 945780 995627 1010693 930786 975668 947468 921068 935513 936079 966842 934608 960971 924877 923599 934278 961305 926814 956595 1014509 994646 992675 918917 932162 914956 955562 858260 914157 965885 953707 953723 937769 913688 888664 phenyllactate Phenyllactic acid 3652 14425 12304 5481 41211 4709 108598 31802 27295 28470 28898 29983 28059 28018 24818 31884 25366 22899 22711 20018 23549 25791 31484 28657 30009 29837 10097 8721 8384 7929 7833 7145 7737 9897 4018 11714 5889 4155 4597 5115 105744 131208 207101 159481 78083 35478 8377 6092 92055 29683 7767 15727 85431 10104 12418 7483 6494 6708 9917 7695 5066 8360 64030 8453 18634 6219 3835 5911 3786 7538 78880 4947 163080 phthalate Phthalic acid pregnenolone sulfate Pregnenolone sulfate retinoate Retinoic acid 32689 35228 72160 31980 56923 42949 38411 39262 37196 38898 23887 25487 26254 28555 17573 22251 17540 19136 23787 53527 57092 57816 58337 48474 61229 61684 56074 46541 43252 44500 45171 50728 50266 55159 52976 60095 55689 67928 30891 30582 31413 30678 27107 30816 32237 31412 29452 27884 34135 26154 38179 34198 37867 44433 38075 47558 48282 43623 38784 52361 38042 46564 69963 45114 34934 67469 40016 38463 50174 175616 43559 47204 41258 41459 37805 118950 59229 66551 69121 50630 38024 31506 32430 34764 72312 38977 36262 39740 34941 33943 rosmarinate Rosmarinic acid salicylate Salicylic acid salicylurate Salicyluric acid S-allylcysteine S-Allylcysteine 2813 2044 204925 28724 10437 130453 141245 61421 33126 17635 144822 152041 146946 136083 138829 127352 116496 118856 142423 147560 126982 122841 99412 98101 48080 65169 392289 385958 322044 307649 236015 221100 164522 155696 6822 10145 112060 118309 213264 103243 175502 104351 127145 40575 57953 107915 9367 164977 277945 114576 287834 17426 56852 2523 189215 205383 260461 89764 69979 156597 364764 93155 62500 35871 93942 68084 39046 28144 113561 87653 12646 3997 69775 16164 serine Serine 11815 10374 11704 10785 12644 8883 8651 6965 9412 7623 3548 2372 2750 2949 3180 2810 2717 1781 1951 11303 10457 11937 10446 10820 10592 10642 11805 10699 11554 11330 12256 11084 10587 10423 11909 11031 10417 10028 25087 27175 29108 25946 6781 7692 8649 7377 6812 7216 7434 7219 11580 13622 13780 14295 13368 8971 8829 11618 9026 10222 13478 14770 12207 12349 13267 10737 11662 11211 10653 11066 12974 12205 13519 12803 16327 12142 10219 11255 10451 9759 11898 14323 14194 15749 15024 8861 12363 14175 11755 9961 serine-13C3 Serine 2809 2781 3802 3225 2422 3986 2882 3995 3002 2320 163759 12902 8981 2806 3764 4428 3690 2182 3161 2851 3129 2316 3868 4161 2857 1944 2665 3121 4031 3176 3802 2442 3786 2893 4509 4520 2006 2573 2161 2635 2453 3075 2999 3201 4400 4162 2223 2761 2500 3397 2438 3213 3584 2699 4379 4341 3172 4321 2875 2932 3067 2326 3419 3355 3278 2322 3379 1966 3223 2754 2897 4024 3335 2778 3895 4260 4493 3524 2232 2508 3075 3423 3799 1769 sphingosine-1P (C18) Sphingosine 1-phosphate 696462 666361 890991 806626 626066 726608 980746 738241 737399 684735 6141 13051 99431 39905 26118 18164 16483 42420 22730 752958 717572 713144 683353 611278 601272 633022 592649 956181 961044 961870 923920 903571 922535 872999 745225 710012 644390 618108 350888 348762 333278 320255 1048210 1001593 973617 967548 1106371 1064793 1326617 736916 906731 671924 1111347 783912 1719433 724148 676987 610525 613570 640076 991758 832991 731812 710127 895919 829664 1185805 1083420 983864 877058 467355 544418 757725 712203 601594 559166 505665 584049 463774 913458 583502 672800 657095 748514 700552 580486 751289 779506 743965 703710 succinate Succinic acid 1266142 1038860 1739209 1604732 1183683 2311046 1607947 1667326 1113822 1682188 1384214 1399342 1390076 1378594 1372283 1366069 1322041 1278227 1812181 1891572 1868192 1863560 1818337 1824922 1709695 1344828 1405442 1349567 1364923 697744 696101 634974 687574 2460810 2418481 2276282 2310317 1946480 1943864 1781928 1937528 1460726 921898 1114046 713254 989832 1300124 1272522 1298041 1023310 991222 1889485 984369 826706 1117223 934692 849043 1237121 1102700 1378511 1119479 755204 1268805 1102743 1017728 800324 1233011 1183297 1161031 1133513 988704 1405173 1338761 1526739 1105195 1010261 1557505 1271387 1324347 1520166 1509655 taurine Taurine 16958853 16059219 15857184 17342185 16143141 17285509 16796212 16302694 16812823 16940391 30252 37296 53857 112364 177853 173440 171656 320700 324669 15744630 15506379 15333074 15189614 15259265 15172465 15036055 14905108 17711171 17858230 17533796 17444799 17566567 17540112 15622235 15318023 15296828 15249674 14974786 8098831 7473418 7815187 6189360 18447702 18101559 17024848 16036386 17446840 17384222 16193874 16210584 16844249 16194773 15462333 15211624 16782529 16109010 15779746 16474193 16456282 15513620 15811935 15744351 15835697 16548669 16957815 16243479 16842300 16261550 17102477 16304424 15263612 15860917 16800903 15663465 15627855 16911154 16510878 16250944 16068257 16380107 16122890 16227092 16034075 16603649 15469722 16504598 16583991 16452749 16786594 17062907 tauro-alpha-muricholate Tauro-alpha-muricholic acid 363656 348373 625064 156561 1926556 102147 833223 100422 213639 556398 408333 388141 378292 357746 345516 328529 377975 374004 404032 377443 371433 373281 331418 292154 339336 434511 382166 333898 262071 56871 56610 71511 69496 20982 30604 44149 41718 89467 92217 118194 128333 368510 368876 1773010 941643 759055 116742 142512 441616 222544 77872 198909 325944 445983 253775 922125 201064 114691 334838 498637 100291 922391 839358 459414 114444 358883 171258 215409 129886 140367 241946 213790 69801 332133 274644 286240 80772 150074 237830 394232 97293 tauro-alpha-muricholate + tauro-beta-muricholiate Tauromuricholic acid 850536 697216 1751871 375056 5780295 324547 4079288 385824 1127535 3793254 1277387 1254289 1263479 1260963 1244100 1294222 1341758 1290022 1511807 1558362 1549857 1533676 1543099 1601794 1642602 1300577 1267626 1244066 1322884 108579 106208 125389 123651 87757 103066 122858 127731 251517 262108 290055 303396 1349681 1000214 4827785 1932817 1724809 690923 1083785 3535914 1337803 329012 636238 704520 891506 514442 1983200 868610 383775 1496725 3257211 466577 2667263 2096383 1175506 230078 746417 740689 1323437 474536 860649 1764528 459764 138987 601286 523221 556125 303413 472250 1817841 2645984 519433 tauro-beta-muricholate Tauro-beta-muricholic acid 457315 327592 1134386 179051 3869556 221748 3335415 272355 919740 3243483 896406 865191 872630 864017 852525 891609 917331 893020 1038983 1123558 1120618 1139550 1164077 1208317 1278247 904662 870597 894860 901449 42167 38015 41557 42983 57264 69947 76094 72141 155652 158763 153557 161227 949099 634849 2936508 736405 954381 564037 920027 3060671 1106446 250429 426511 360518 329057 222693 1025151 687165 255114 1161944 2764990 365456 1647595 1239678 668577 99208 386337 560675 1108414 354127 711792 1516891 217070 56786 250380 221219 225780 216049 309444 1584197 2231932 419509 taurochenodeoxycholate Taurochenodeoxycholic acid 70337 104543 252224 49647 465221 28043 185855 39111 62014 162984 366558 362470 362695 368316 352015 378011 377785 352833 126159 129769 128944 123229 132426 130961 137374 360058 360125 359636 383122 110734 109939 107129 113487 18442 24491 24666 22369 37563 38210 43295 46795 1493167 1066749 515919 1976130 2569869 44571 85707 1775880 83074 436924 1011113 853607 1089935 627267 2056132 824383 60383 179854 209945 377305 272438 199778 149669 47861 116227 106014 51680 46362 507415 646436 91276 39408 92232 65588 67275 31544 51939 70911 43657 38607 taurocholate Taurocholic acid 4082445 2783816 5069646 1355043 25982532 1183888 15263838 1281549 3457876 13112313 4651682 4585822 4681104 4578803 4363533 4114240 4528338 4945209 5538417 4983732 4917192 4462005 4091251 4663334 4802623 4672043 4752306 4345836 4592186 257536 250175 231445 237160 314551 349169 418271 412122 889514 896726 928019 998642 7269171 4437149 19249884 7980858 9549286 1846595 3396745 8773689 3693810 829325 3289058 3351117 4213911 2322288 11959122 2213305 957915 6445013 9083040 1014312 13652606 10155818 6815938 1045046 3550843 1924229 2878041 1360360 1702510 3204476 1951669 613449 1999682 1881725 2025883 636071 728367 3303317 5839806 860102 taurodeoxycholate Taurodeoxycholic acid taurohyocoholate Taurohyocholic acid 4060080 2746127 5022487 1347629 25968037 1169679 15262415 1280117 3454575 13199087 4649810 4579046 4677819 4600159 4367190 4093640 4456813 4899781 5639155 5064894 4989229 4484872 4139703 4686275 4829639 4681884 4750373 4334946 4511167 257951 250667 227682 236122 315369 350557 414956 406707 832403 861129 925697 263066 7245292 4447372 19267195 7819170 9532252 1845980 3385054 8736344 3713167 829002 3284624 3343055 4140480 2293649 11951855 2199355 942533 6431301 9071303 1012094 13559636 10146983 6813193 1029596 3543556 1919210 2883482 1360480 1697030 3189712 1946661 612894 1975522 1876336 2015008 584343 723728 3285574 5833584 852359 taurohyodeoxycholate Taurohyodeoxycholic acid 32176 22304 61001 19355 160758 19015 162806 21445 43805 158153 49692 52642 50639 51980 50863 50063 49156 40400 60706 57719 51970 59441 52103 50294 55023 51585 46760 50939 42789 11893 12263 8983 18683 15555 19127 7822 52180 38546 129096 44411 79373 23401 51762 165820 41216 19633 32062 26319 24738 21191 58933 31365 19405 69827 88631 17045 94228 53891 39417 12855 35319 25219 42135 27919 37348 78264 20621 11264 20386 21364 22865 7905 18677 39438 68584 19823 taurolithocholate Taurolithocholic acid tauroursodeoxycholate Tauroursodeoxycholic acid 30456 24517 67992 16707 162705 20192 161826 21380 44332 161255 46808 50752 49911 51092 49259 48443 46925 37217 62384 57821 52018 60307 52419 52750 56458 50065 45664 49871 41330 6035 4871 2929 4897 9435 14031 7459 7986 14686 17318 9145 14712 53208 36321 134559 46040 80830 23943 51898 166876 42461 19648 32705 23000 25411 21760 59729 31911 19329 69816 89864 16775 81103 54588 40060 13280 32090 25575 42644 25322 38225 79122 21295 11373 21070 21628 19384 8709 18640 37273 65588 14548 threonine Threonine 8124 8688 8303 7013 9465 9043 9134 10132 8337 8129 51013 45060 43516 43099 9302 8661 7939 10216 8908 9772 8443 8233 21258 21757 18780 19907 18925 19443 20073 11663 9873 10125 8984 23412 26049 23806 22190 9969 8716 9383 8817 8891 8770 7622 8729 8079 9179 10496 8390 8388 9743 9886 9906 11130 9285 9565 11053 8215 8234 10165 9493 8552 8324 8639 9914 8279 10817 12229 9576 8923 10458 10778 9785 8455 8161 9621 10842 11250 8451 11352 9222 10243 10285 11590 11013 threonine-13C4 Threonine 2651 2573 2975 2453 2050 3605 3087 3464 3754 2984 103966 96795 95293 91451 1617 2821 2979 4392 2690 2430 2814 3057 4332 5257 3741 5073 6801 4882 6696 2806 3351 2981 3090 6845 7826 7896 6280 3297 3754 3095 3254 4007 4109 4803 3002 2210 3110 2365 3356 2471 2023 2454 3223 1828 3269 3872 3417 2781 2187 2052 3332 2294 3400 3441 2482 2711 2593 2238 4051 3369 1774 3349 4584 2961 2647 3185 2739 1493 2425 2559 3083 3621 2586 3138 2731 tryptophan Tryptophan 1745332 1995439 2167849 1651301 2332518 1921002 2071715 2001787 1963710 1702216 2032511 2024441 1997839 1992556 1961185 1987716 1945799 1863915 2132988 2109336 2108275 2099499 2048627 2038446 2036799 1990362 1995498 1955942 1955366 2496045 2474728 2334747 2342097 2554084 2477417 2352455 2344743 1916372 1898279 1760824 1844114 1962512 2003990 2515391 2266420 1927058 1866566 1814275 1746757 1769786 1964606 2324263 2166166 1999415 2100999 2200804 1795566 1699509 1762644 1737124 1808850 2017699 2064518 1939631 2089005 1951064 2159345 2218497 1662315 1806594 1884888 1969237 1943604 2119132 1812933 2236444 1739429 1917529 1659416 2005699 2139287 tryptophan-15N2 Tryptophan 1424170 1365746 1396693 1418390 1433098 1388035 1567412 1433882 1392939 1435447 1973111 1958285 1730213 1736602 1517168 1401474 1400450 1378468 1399099 1373154 1364805 1344139 1311331 1265201 1213256 1200492 1197090 1180870 1190205 1522498 1403565 1370537 1391642 1599312 1606771 1386974 1422259 1593262 1565307 1370890 1335812 1546284 1538201 1294863 1356779 1438422 1503220 1373161 1334212 1407801 1418188 1376512 1576925 1456438 1490334 1417487 1461538 1362962 1349476 1475815 1494831 1390848 1359063 1372399 1361094 1422624 1530877 1536541 1405074 1410246 1643491 1537406 1551936 1418966 1404206 1369320 1376303 1324060 1353822 1467268 1411261 1387304 1346940 1384250 1363875 tyrosine Tyrosine 658892 583264 555681 590612 864078 393365 610152 513449 749303 501918 609176 580601 576530 550535 561688 589435 584740 600315 928936 974846 912461 895414 903279 890761 803264 618037 587370 552667 630983 1306985 1342660 1786432 1350755 503892 481823 478642 444558 366001 376759 347633 441345 580330 668156 863184 903751 821974 470692 586251 501390 601817 647331 418004 765443 692704 689309 944235 691416 569972 665386 561679 608620 842876 695783 867799 718653 851972 624565 716838 676327 530487 595176 644889 643298 630838 742092 782194 582403 657766 559586 625719 674291 tyrosine-13C9 Tyrosine 248018 241434 180560 253512 231314 147686 214008 176313 249415 197393 1189358 1194898 1007278 1017430 228359 207467 189844 179578 186283 198623 193936 200682 277060 270905 246965 239855 248602 249661 227563 230846 198156 179336 213567 373089 371927 434584 337701 191760 177734 161367 151382 217490 215907 189788 225432 210182 284930 252710 287208 291387 189784 200969 230446 227442 254620 172937 250633 256462 229618 320528 264350 224984 234460 213728 211930 272812 239090 289908 230079 279460 246334 241451 279265 235126 216910 200146 225994 177122 229561 220359 199788 204261 187025 185133 180632 urate Uric acid 1591072 1876080 2078592 2529748 1844958 2087894 925151 1267177 471207 777058 6448 5640 5700 6648 5563 5622 6337 6295 5129 1539908 1592654 1601044 1575971 1570298 1544254 1510561 1436134 427778 422908 440790 418199 423366 414686 413178 1562743 1594157 1568043 1508881 587391 578366 606910 562997 1366447 1384131 1322344 1348242 598374 599270 547740 567596 3284123 2658977 1999531 2303965 2585689 1005305 987920 1146280 647563 546085 3515546 2624340 1784902 2006167 1220064 1639647 1280799 999629 995081 1068419 1762226 2267797 1889189 1851568 2640433 873056 969234 1439213 819718 631592 2095802 1718605 2601676 1599848 2866762 1795868 1801445 854533 1312900 3442740 uridine Uridine 94377 80417 271892 185112 135236 640115 300713 408011 55350 236924 251661 264038 261050 263880 254505 248964 251553 218636 536185 481737 535051 535841 464747 513063 549062 256299 262381 259936 233013 110798 104910 55325 90475 951465 996977 803959 826586 565239 574107 420467 396475 118692 72326 115880 73931 149366 168727 299440 176496 209840 109464 443326 75122 56467 103830 119053 166320 147249 101636 91327 141923 147550 190615 233820 84973 109114 144073 330461 113502 84061 110897 227684 105381 193792 187740 139279 156269 131270 68340 197611 99128 ursodeoxycholate Ursodeoxycholic acid 6408 9370 8884 2892 4205 3303 8761 4453 3166 4092 6483 5961 5064 6810 22265 6741 6503 6152 7003 6610 7001 5384 10907 7642 6790 6481 6770 6441 6794 4422 5605 4542 5113 4130 5412 4925 5734 8724 8294 6821 1270 2727 2381 13970 4252 5713 3932 13485 3725 5809 2618 2027 4657 9171 5130 7983 4481 3957 11980 4808 4402 11205 2393 2718 4424 2073 3996 4060 3679 6560 7854 2485 3141 2507 1315 4281 5293 4774 6493 3523 6139 valine-13C5 Valine 9693 8524 9675 10588 9284 8959 9980 9108 10238 12411 249860 265039 239197 244225 12714 10665 9795 9440 10503 9254 10311 10507 7471 9128 8103 7844 7623 7742 7065 9199 9518 9299 10549 14351 12299 11812 11367 13278 10887 10216 9727 10548 11733 11296 12662 7572 11475 9182 8567 10418 8620 10027 10137 9632 9882 8450 11059 11979 10658 9445 8530 9397 7313 9533 9719 9351 9056 9102 8718 8902 9113 9441 10229 10648 8340 8392 10063 9865 10484 8416 11632 10292 8358 10480 10910 xanthosine Xanthosine 44934 42472 73236 117008 41264 136477 41173 57727 19112 34310 86323 82406 82205 79903 83214 82361 84264 79696 35892 68862 29246 33615 39518 29016 33721 88586 85926 79102 83572 27633 30922 25923 28326 192856 299199 263475 277195 97550 101328 130850 43942 237574 127147 51311 79962 116854 45227 51255 41266 25000 26069 315583 87993 45468 83424 29451 101825 46050 38479 39533 38312 52904 85933 117420 65393 142979 30724 43038 61475 28525 19927 137704 53717 115825 49359 93415 56631 87796 26498 48270 276459