metabolite_name Tbx3_KO_AL_1 AL_1 Tbx3_KO_IF_3 IF_1 Tbx3_KO_AL_3 Klb_KO_AL_2 Tbx3_KO_IF_4 Tbx3_KO_AL_2 Klb_KO_IF_3 IF_4 Tbx3_KO_IF_1 Klb_KO_IF_4 Klb_KO_AL_5 Klb_KO_AL_4 IF_2 AL_2 AL_4 Klb_KO_AL_3 IF_5 Tbx3_KO_IF_2 Al_3 Klb_KO_IF_2 Klb_KO_IF_5 Pyruvic acid 2507518 3015152 2335170 900464 1218931 2309622 1870526 1659326 2159101 3558394 1384372 1142600 1489386 1641824 893399 2900678 1250107 1156058 770081 2691562 2862079 809912 1026242 Alanine 1370067 2028004 1227165 1013464 1079091 1406099 989673 1231599 1467882 1220310 938779 1590836 972969 1362705 1175008 1360080 1472230 1682582 1032714 765389 1625434 1525660 1734992 lactic acid 452075904 445512480 415548768 462872320 304959392 461492896 351551424 395811808 479138912 488413248 455022944 412648640 352706592 400070912 518221920 458578976 479282752 428471840 405162208 401084800 441393344 488337792 425643712 Glyceraldehyde 22856078 23794754 24219790 24260898 21836684 20281582 22724060 16896762 29549054 24638828 27054966 20999790 19210286 17891170 27477508 23775972 23685774 17555204 25226632 25152078 21361494 30931584 20067838 Phosphoric acid 3355576 4552802 2277214 3181126 2661863 5314146 2127295 3171357 4000618 3039019 2263198 7488003 2791394 6663722 3411600 4662570 4615868 8493954 2675888 2186946 7116704 4685928 8497599 2-Hydroxyisobutyric acid 4745976 3056622 3915562 2697048 5031092 6135846 3318002 5763445 3686377 3271278 3487868 5856304 4318289 5583478 2356622 4281582 3552083 9698485 3755268 2684726 4007643 3661833 8151350 3-Hydroxybutyric acid 4959384 6294384 5247816 5238540 13120651 4064618 3941362 4914766 7495728 6767438 5108924 5859954 3187219 3510668 7113727 6894370 6298948 3727914 5659671 5337018 6618760 5990696 6737575 Serine 1647270 2420402 1775910 1275590 2633499 1408784 1656280 1388935 2154558 1665018 1276356 2075526 1691025 1310259 1561832 2179680 2298365 1687318 1618241 2227721 2208235 2340244 2286756 1_Serine_d8 1337223 1308962 1151103 1411211 1291312 990950 1358762 1326064 1252817 1336524 1447580 1404820 1313203 1350035 1437849 1292328 1247269 1416778 1612854 1498925 1469082 1484292 1441656 Hypotaurine 6095136 2967674 8081846 3642668 3838512 3042367 5975677 3630156 4953840 8644744 4798244 2853090 3725957 2398878 4431907 4028645 2082272 2221116 6039503 7306574 2190975 2894480 2519902 Uracil 8785716 18049192 14273464 18573920 8340477 16002206 12070774 10438384 15365883 13570852 16435886 13826341 6580151 11223878 15294621 13297512 13151631 15560695 10185600 14747976 10392391 17120830 13440131 Maleic acid 789469 799796 933179 711572 643320 733161 609491 787308 817863 872869 1041876 743292 1017536 954542 728641 894139 705808 689298 692501 1068860 771750 790186 764737 Succinic acid 137790240 93521216 100582592 163915696 138063264 73721392 120143088 118475840 110845368 118853200 120764976 63232864 75323664 56743824 150476448 145619968 133473000 125182224 159346992 98918416 70637408 98693384 81979656 Methylmalonic acid 1130996 1287888 799769 1126502 441247 665162 925753 881689 720045 1029024 1305490 678346 600164 580861 1253406 1350622 1506121 1126824 853646 854317 828006 1007338 734259 2-Hydroxy-3-methylbutyric acid 1137543 1356522 2165998 1396548 984980 3240428 1007881 1095326 3001520 1669066 1233387 4309201 1990918 3148762 1879081 4455918 6116188 2286703 1730761 1031226 4936985 3808285 3249818 Threonine 4257762 4787136 5375126 3108598 5769448 4892914 3668752 3089631 5625059 4102628 4582620 5035342 3760729 3275427 3528094 5260962 5253846 4826175 3765111 4845788 3816022 5563430 4984171 Taurine 51568072 9725123 62303844 70777808 34858388 27939244 69512984 70237160 7257350 80446784 82148256 94688736 33481522 108919624 78210256 15786311 15118084 68961840 104008016 77038872 30016538 13833706 12209197 Pyroglutamic acid 404322 390818 455797 419275 436376 460181 413930 384929 532733 449038 455808 447810 407928 448264 403358 427395 507643 425347 357869 467790 410660 607951 608480 Itaconic acid 199168 345024 181367 1013288 153616 6040076 106265 205771 204319 105716 57457 228405 741457 741572 212720 625680 1179480 1810859 105314 113904 820132 400032 508460 TRANS-4-HYDROXYPROLINE 860395 312858 598913 519088 431564 470527 509860 730544 610498 520350 299229 711859 508972 617773 510954 437883 452097 756543 405656 422804 634975 647938 578231 N-Acetylalanine 229301 345656 217447 166838 257858 357178 157019 254311 230222 238282 189962 426582 193375 305470 153464 306313 409101 300294 138515 211021 319323 383886 453977 Isoleucine 52038 145626 146446 104365 267974 172264 111355 33745 191711 114698 43319 114833 95243 24040 66725 121788 127248 132812 91286 112078 104160 138066 137230 Leucine 167474 179458 172086 125299 203328 221204 110698 139867 187327 119899 144928 155199 99242 89908 90899 132554 167133 192437 93885 129314 112496 172004 161449 Ethylmalonic acid 473729 337916 373779 595489 137436 502982 326786 362448 332872 559824 641212 299494 500875 376859 652488 305027 416401 376692 441379 244011 407405 374546 209721 Methylsuccinic acid 8026449 4919036 6096278 7826548 5587437 17233772 4426650 7081612 3052864 8536167 5465447 8220892 5866948 5416778 4507094 6227498 6781592 12614910 9564803 2797074 7791147 3319504 4729762 Asparagine 1019940 1139658 1119381 822580 1197834 1177235 992786 1036760 1162025 864335 1058308 1377286 901282 998143 937021 986033 1181994 1543099 842447 1223218 1164779 1232090 1338262 2-ethyl-2-hydroxybutyric acid 387746 442466 563229 446149 399368 497240 376234 311504 589838 926233 430962 839451 360758 525727 557414 600427 1029191 586585 493886 325159 927899 667256 423645 Aspartic acid 4501798 4580531 2619218 3022596 5204108 7324006 2324243 5378745 3431888 2736556 1629678 3966588 2882276 3368761 2996443 3931045 4234007 7918276 2933756 2045221 4703792 2545373 5158229 Adenine 1039569 730100 942415 950296 1095198 655003 1086433 774593 923197 1087649 848299 879534 738063 576757 1072125 738494 701132 1040731 1270518 939391 723069 1030026 1317044 Threonic acid 1503612 1627737 1005554 1869114 1569004 1649150 1634630 641188 1634069 1570459 1232005 484318 1409194 1467392 1343352 2825086 2169924 657654 1810875 1102933 2595457 1604756 1460737 Hypoxanthine 20355510 31983498 23068298 18741710 24104968 13933120 21680098 16049632 25352704 21469138 20657668 33258106 16125162 18210572 17227240 21499192 27505730 23649422 11673782 23813186 19566466 31656370 36567504 O-Phosphocolamine 706409 978289 410525 453642 632839 1421498 369865 1029518 669021 329646 290548 787528 574763 762528 470583 752099 765536 2278492 364024 458428 977165 637370 1423328 N-Isobutyrylglycine 4803720 2287900 4080694 4536051 1511027 7427306 2662629 2656522 3675161 4804932 4632467 3156211 9823882 3877451 4208064 3423880 3805778 3707450 3567971 2505753 4163764 3767030 1903636 Adipic acid 613913 477821 376165 490380 498882 592018 409819 450910 661330 684580 465297 567991 408185 415084 482117 564949 564082 882745 489768 357243 399451 781874 1129068 Glutamine 67533280 62406600 83712136 59893228 80189056 84824464 83568216 60885240 93702280 65333348 76878064 73565920 90098936 87617496 64957988 67944024 74712448 67489872 56237360 83431208 85021760 83674792 62612188 Lysine 97803 59524 170000 75950 143557 71216 134723 107612 101156 112767 139543 90778 52701 70061 71881 59923 47316 84602 72918 180394 52880 57038 50431 Glutamic acid 15634917 10719917 11816698 10434486 28732976 18968016 14672820 18848692 16225681 8651767 6180909 18626908 16261369 10978833 9435384 15797606 18137438 29043536 9725434 9704137 22522972 18888490 41221376 1_Glutamine_d5 4509812 4592643 4362509 4958500 4819997 4429755 4615414 4600310 4206393 4824526 4599756 4588530 4598428 4514158 4711398 4482800 4127922 4562573 4634074 4670710 4518079 4622300 4719656 Xanthine 33815868 46500736 42211572 43095768 39490356 39897840 40479396 25784282 59191096 35303148 42735736 42293868 35129672 32020916 42272996 39934120 47090372 44182868 25047216 47848100 30947766 56349716 51072180 Arabitol 712159 959297 520933 1097850 363286 961480 413862 368232 1471389 635597 895165 458352 239062 326887 1045924 747235 867147 706563 338491 623858 267703 1414753 557011 Histidine 6809451 6096222 10134597 6511078 7778662 7004186 8252002 7331540 7550705 7427636 7351240 5701822 8369927 5609133 6764896 6719250 5827403 5643185 8405991 8773734 6045702 5869006 4946312 Allantoin 4861944 7161110 5853111 2675760 3316162 6509854 3544455 4111710 6718680 5466156 3101515 7924544 4441895 6798960 5064365 4741723 6598430 4769492 3422852 3863368 8364480 5765117 9330822 N-Isovalerylglycine 2054236 2219097 2620028 2925495 1178996 2508633 1933667 937734 3776602 2880378 2997758 1182846 1925039 1272069 2516264 3603196 2941828 1647077 2047247 2711248 1659309 3007068 1026864 Ala-Ala 78466 328519 66964 72186 56806 195537 51887 148564 176785 166497 160607 219398 65469 72734 83988 280382 340016 151202 41753 105790 132302 505619 171222 N-Methylglutamic acid 320316 1305904 264717 226274 502131 441286 320658 610620 423667 252991 149049 1034848 375413 273954 148232 884954 981421 1080372 430603 133581 780986 287563 838011 Ser-Gly 55849 149474 33641 32043 26703 107992 26014 71868 76450 58144 60397 119964 41529 65316 36315 90329 136023 96022 16508 43446 75747 131878 109540 3-Phenyllactic acid 113442 75721 184031 149543 107201 136386 151765 88486 103055 303034 159810 90007 109790 190623 96257 80780 61033 148671 132971 134427 71314 87292 107658 Phosphoenolpyruvic acid 230060 494859 255988 258072 205205 265131 210548 243467 249419 454343 256781 236222 166632 252912 293167 316064 197733 288822 162605 218178 281895 207592 286637 .beta.-Glycerophosphate 20917870 19379684 16001309 21558434 23228338 31623578 18242648 21146102 31310048 7475213 14913948 18056796 22633578 21454438 22747214 25198784 23301010 34016316 19906142 15316041 23621592 24171546 25000532 N-Acetylleucine 2451222 787218 1935791 1513894 2902087 1569526 1338293 2068176 1761987 1483176 1328084 742062 1145059 691625 1254654 1167748 878512 945933 1457694 2051910 1045291 771705 611036 Hexanoylglycine 788025 182931 627764 546789 557668 1339136 476842 354098 624483 612931 463913 381319 1799410 797787 492730 505549 534772 444739 469485 366549 683717 501419 281682 Dehydroascorbic acid? 877469 869494 774126 891801 637958 1043757 713256 806803 1004160 877492 888646 681722 894471 872561 890012 843261 937263 844915 735715 883192 1326782 909939 708018 Guanidinosuccinic acid 143827 282109 56479 110552 67236 53300 77917 54298 108741 141748 117554 168999 87757 25462 175218 134370 185254 0 233891 50913 168319 106952 83562 Citrulline 265237 220498 315753 121413 340204 335793 249992 195055 207657 267798 135975 148935 278250 295966 177228 259068 168663 226855 237855 129564 345714 116365 219653 Ala-Ser 175588 431739 138832 162710 96386 331118 102237 252646 234459 258990 253208 244015 160961 159487 135487 331857 323517 189252 93052 250440 194944 425685 188037 L-Gulono-1,4-lactone 301685 232033 414525 411749 208635 679519 267789 206904 611481 317125 553300 174062 336569 237353 452689 388385 370894 252707 235489 525316 167745 542739 227007 Glucose 40262676 42840000 42011720 43180968 38893828 35329848 41572924 28807390 53464644 43828572 49091760 37148976 33862964 30273968 49349392 42304284 41797136 29417200 45105912 45574460 36598696 55955164 35075852 Mannose 6509045 6305500 5884440 6806622 5164492 5254700 5581646 4269829 7511735 7250823 7073106 5971954 5171380 4942808 7523284 6623668 7345262 4725708 5927744 5522447 6112799 8387554 6026118 4-Hydroxyphenyllactic acid 1439037 1104654 1528538 1168748 783018 2034200 866059 949068 1761223 1221875 1860118 1755409 1504220 1147415 1068197 1459482 1267482 1715096 1059149 1327226 1776532 1805388 2343275 Mannitol 1372399 1115859 817359 1717402 618742 851668 776697 874701 1481667 1473948 1357193 911034 525382 776232 1793054 900337 1326484 879757 709904 1764781 465647 1645577 601082 4-Pyridoxic acid 344865 416051 278274 543700 299762 415891 293781 234674 679143 361014 389067 244912 218167 191904 364358 747933 467965 410534 363588 315741 282236 667669 308515 1_Hippuric Acid d5 34371908 35645884 34855908 35657476 35318060 34812208 35017760 36412056 35880980 36293012 35143732 34851380 36001904 35033568 36013004 36339924 35269396 36363676 35904356 35712532 36550300 34719236 36597784 N-Acetylglutamic acid 165017 77864 100057 137652 90216 133391 78700 198367 76920 171388 102814 98874 121863 109718 132951 110392 81103 175209 194646 83562 142017 85086 148143 N-ACETYL-DL-METHIONINE 537210 1216504 494347 237970 562795 1288335 251209 1151390 678232 691883 497160 1957682 624544 1700532 353640 1059697 1321517 1613270 134384 583299 1344153 1862415 1865350 Citric acid 235685 253943 210222 134191 260481 229569 215167 221951 166316 256696 166803 189272 163556 131341 129724 272093 203113 142532 137182 149396 335318 233149 335187 Ser-Ser 241478 677328 208817 186781 168549 696141 149165 386918 395686 314620 228256 519474 258028 265377 177550 607873 735503 483686 83214 210074 428967 782911 485191 Phenylacetylglycine 843577 1162246 202241 386249 224204 596005 250653 800855 1206989 273557 369047 465067 541274 208136 471406 818570 846664 616933 523085 214990 685461 767681 528103 2-Ketogluconic acid 80041 209830 87074 106075 45798 247334 65018 77962 189197 163686 108118 86683 138659 99761 113235 191050 161274 208380 75886 84883 127767 180627 115276 Glucuronic acid 743332 360856 1034175 576070 839684 1350996 754906 530848 358661 705805 871560 608215 1359526 815510 454591 821074 889412 769896 561439 798190 626815 463070 1124538 N-Acetylhistidine 3886192 1429587 2648256 1849242 2017470 1581608 2055001 3682468 1522865 2864034 1754226 1116055 1813064 1143223 2338376 1406962 1363738 1352029 2489539 1917147 1720382 1107908 638578 Val-Ser 85205 208225 74249 129401 42377 219171 63516 113269 221740 197842 273517 115321 114955 76195 140148 195413 90908 143122 47973 134761 92286 292347 84176 Indolelactic acid 98155 89845 131984 130766 61540 103243 120188 89234 83206 165903 130562 103528 90895 138321 94318 96892 78400 132465 132202 105254 87497 72109 136724 Gly-Met 177281 392180 138461 195726 91136 266917 155000 192573 234772 318490 356314 302022 192100 236926 258540 282158 231297 288951 124300 226274 188074 320315 191577 Ser-Thr 289148 781560 209939 243247 153237 565522 171387 481082 425535 390620 322441 613049 217810 274006 208347 570330 663228 419174 106478 278545 487253 919679 362121 N-Acetyl-L-phenylalanine 553945 172993 493566 321451 890272 275373 413951 437462 421443 367502 357948 262306 263218 138276 239495 293833 270500 304303 374216 579343 219985 215446 233788 1_Tryptophan_d5 114710 135260 129389 135851 125940 119376 120363 121600 118620 133397 118340 134472 131326 129089 133910 120275 120502 121771 117821 112186 120088 127209 129834 Indoxyl sulfate 252066 1400274 153832 514768 303273 380613 235760 371384 1300148 271272 209018 117754 970355 110554 517856 1566368 1162308 478668 430767 180171 524629 631848 197743 Ala-Gln 529597 732051 401715 336466 134852 485080 254152 598809 443582 697160 1534567 513100 313384 515406 459208 511978 281594 619893 279296 552187 316695 476294 255012 Ala-Lys 65734 350449 69587 99210 32663 142383 61848 109813 153655 207054 267318 183526 69823 93047 115696 194990 244747 154725 46044 132011 114905 337100 195523 Val-Thr 190572 628792 98208 140096 77748 284912 83069 167216 272916 330655 388517 338472 118210 141785 142112 313613 214060 355522 95542 182638 186106 469065 267942 Ser-Asn 44229 186476 33823 21080 29358 123111 18165 92368 73583 79633 44521 231534 37729 132060 34953 113324 147981 167174 10260 49443 127453 217985 159826 Pantothenic acid 2520536 3754352 2393791 2428404 3237483 1711192 2171046 1428090 3655386 1932724 2479567 3540976 1233462 2035070 1714104 2808945 2812804 3860574 1593170 2109234 2036314 2937940 3703300 Cystathionine 214098 46151 220445 113150 109496 62151 145578 277615 83354 225085 208730 104582 61585 87740 109738 61881 48866 108391 221607 120182 133798 35730 79474 N-Acetyl-D-glucosaminitol 124259 135059 99257 144002 166831 234584 95507 179839 164849 112548 70400 143147 138013 172966 151675 166710 150739 329517 131955 90765 214786 163486 226112 N-Acetyl-D-galactosaminitol 129840 128208 100438 77215 149046 196702 79343 187477 124639 91977 67306 137727 129691 180372 108618 140468 116089 306386 92925 76578 154666 102926 153896 Carnosine 79410 235223 89643 79991 74252 225377 65921 143046 132760 147283 75858 147571 84807 82779 77239 186112 261379 198812 43704 80946 159207 245868 180174 2-Deoxyuridine 356256 316761 171425 358584 374309 585609 168904 512599 436599 258459 111317 545635 302008 402684 347040 374984 447704 473340 85288 212493 560583 330869 473887 Ergothioneine 514763 319590 382561 457570 470809 643126 393713 350044 545330 489983 343490 471181 775049 644550 474594 531024 476102 720053 491082 472794 634280 544260 923662 Ribose 1-phosphate 2199406 3031558 1920291 2510111 2176552 3327350 2320982 2019142 3033170 2542856 2147974 3022180 3330763 2520412 2818738 2872017 3496726 2338012 2061787 2376417 2940694 3106821 3498804 D-Ribulose 5-phosphate 188259 479313 188260 282200 178808 433735 196536 254513 332600 317834 157700 611628 247020 474952 338061 247016 523598 364012 248990 199168 230099 407081 809121 Thymidine 225288 145388 70833 163237 235278 365264 79294 311820 171395 143974 26191 212749 202479 205554 127958 266355 268949 248292 24292 81793 293213 135211 218213 Pseudouridine 203135 300062 183938 106855 244781 133480 135686 129051 119014 112628 97116 135946 88279 90738 126138 113262 125591 102789 114720 104483 148495 97431 78815 Uridine 76376152 67155680 47976480 61145776 51691612 71336320 46065724 64216384 93263640 61103272 57819304 76797928 36752320 56546140 65691356 81709736 78780632 83887224 45567440 61457332 52838032 80268224 65241708 C18-M245T334 260090 835312 251350 159857 152878 226130 120054 534057 106302 693308 174787 36318 589133 23005 395141 743139 984365 46199 745559 139423 86770 130933 72957 .gamma.-Glu-Cys 407955 331329 387935 366132 770834 436505 431646 345352 712693 413855 417532 341440 287709 209207 437706 437990 456418 406342 311563 462805 222669 600167 936732 Daidzein 422131 812 80457 191116 57803 85003 112961 82080 56191 175114 80019 109718 40952 66177 72854 101763 6181 129964 158721 90860 48450 85649 20464 Thr-His 64710 240103 52789 43217 33274 162831 36179 75714 119856 93310 75198 105970 89746 90479 56304 215937 184268 149331 24348 72616 179684 169258 144820 5-Methyluridine 149037 586394 580929 861385 346164 343321 737697 198962 1073445 618845 378219 621846 218108 116791 1039972 283326 577449 146452 616895 637413 441951 763928 686048 .alpha.-D-Galactosamine 1-phosphate 126180 115341 109033 134119 88660 116518 93368 156052 96486 143717 137605 45604 68352 106392 117994 89888 87107 104469 136218 120271 69652 53420 41407 Fructose-1-phosphate 1739040 2529496 1117063 1482454 1616456 2799224 1103780 2609155 1475640 1457886 1644610 3337710 1684418 2569221 1697977 1375708 2889199 2481357 1241403 1397093 1738435 2747742 3691978 Glucose-6-phosphate 3101480 2911664 2024779 3183256 3129776 3414182 2782177 5010196 3405688 1897009 1990773 6252254 3206294 5034745 3339192 2634930 4972501 3976301 3732288 1892453 3303921 5266616 6174330 Glucose-1-phosphate 1035377 1096689 643803 1068628 1149814 1044729 1037734 1424749 1315971 654289 709699 1697116 960420 1390136 1083428 879084 1171646 1315270 1265356 749645 1097150 1339989 1517479 gamma-Glutamylleucine 218857 142571 75519 101379 221425 263819 66268 110235 277042 93669 74570 146941 229089 120132 96723 236334 263999 92271 94604 70600 310577 267636 186317 Adenosine 786133 487192 407078 362700 621261 404121 430627 453079 444384 379808 277307 455238 548713 442713 450337 450919 331743 1274526 646478 376696 782153 274133 607990 Inosine 18079938 32351442 19630178 24933460 23058972 16431376 22635960 13856749 28421810 21617920 24570244 33845644 20947148 16224256 21799730 21635602 37140832 17058054 12477950 25257258 19843478 40178928 34493464 L-Saccharopine 115324 91430 99176 121826 146369 283904 98595 144536 92867 146925 68438 224205 172723 66605 79961 142975 147853 264714 133064 58021 244098 95417 211858 C14-SAS (TENTATIVE) 718153 682549 897738 255449 622816 911488 415806 550737 1511787 1009448 1098736 856857 1339086 1505734 478918 1141950 992835 1049897 239873 804544 1252428 2033346 5245904 Xanthosine 660988 1194253 932674 1406510 560833 1290860 871534 483253 1826470 802456 1138967 627239 833526 643774 1248734 891153 1085888 789779 557466 1276610 685129 1425762 668414 OPHTHALMIC ACID 740477 674568 186872 191953 1554745 3163213 155720 336484 1102784 255921 98022 1145362 906835 1181686 168912 1243921 1425911 863676 225376 138088 957737 1565124 4055254 Glutathione (reduced) 151642576 148403744 144281888 131277784 126448640 142806544 144165856 118412144 175038224 160906704 116961656 124440840 161673440 125768648 186461856 143969232 154374448 161797040 162820128 114761328 113183080 147620224 252748176 N-Acetylneuraminic acid 126114 128729 68552 101633 100516 195591 76241 128986 130092 110599 74405 211375 103373 206281 122475 172669 121500 368422 58532 71004 166698 131819 122722 Cytidine-5'-monophosphate 190512 148182 143561 107877 235475 212468 134842 365047 187959 192572 107475 376497 272506 324496 177369 195267 207445 358758 184346 103389 352348 184881 453128 Uridine 5'-monophosphate 7015336 3646393 6045224 2438807 7285911 6540146 5894682 6620881 4913214 4877738 3791448 5511573 8157118 8584134 3893888 5079627 4414414 5700032 5884212 4494583 6263365 2984846 6952258 N-Glycolylneuraminic acid 392497 418439 270472 282181 317412 952860 258645 338038 546524 334382 191554 726436 438040 700456 300004 546525 425658 1374561 165348 267657 514891 396670 385427 N-Acetylglucosaminylasparagine 114646 115066 89999 62683 97156 75794 76428 133379 64249 73470 84017 155077 58636 73009 72395 69761 84193 150588 79552 67391 82359 74315 149074 1_CUDA 4864886 5107079 4446971 4285878 4574200 4744450 3976846 4961780 4864968 4582791 3986020 4646661 4446519 4292456 4200344 4510357 4500835 4777504 4108513 3925365 2876089 4461484 6277389 Maltose 1143242 3229552 1256681 2748341 674070 918096 380216 542218 1085336 1762056 949693 2738582 368328 1794271 633122 1650959 2604167 379611 349946 874820 1115754 2684160 1416275 Adenosine 5'-monophosphate 25357880 23167712 23086632 20941558 23884526 26098918 20321798 26416762 24799628 24638688 23802324 29318450 25116810 27746866 22250704 26137412 23082568 31314716 22756568 21105076 25393308 27219554 26076372 Inosine-5-monophosphate 1742072 2731656 2303431 1404199 3179929 2514568 2813274 1742654 2647083 2175903 1630794 2334461 3254526 2981618 2406433 2163188 2356043 2775551 2661491 2553673 2579411 2077394 3947213 Guanosine-5'-monophosphate 1639700 1860836 1328846 1244501 1931065 2011371 1457188 1704270 1891795 1540965 1176154 1896184 1741593 1779557 1529995 1843692 1676440 2407148 1453408 1379054 1764734 1448168 2117728 Coenzyme A 190289 424151 234213 238082 255555 395642 274385 298700 367156 332944 255929 477355 431791 446207 362115 517987 456011 588882 376399 289344 615361 382557 685424 S-Adenosyl-homocysteine 686077 743023 844497 890914 1067958 569643 1170556 645051 1034828 841982 1411976 541814 746874 594559 677288 614308 591685 1165152 1109794 648842 661413 707442 1278830 3-Oxocholic acid 2405 28829 0 0 16792 66616 0 1984 4055949 0 0 14486 2094 0 0 951822 328915 0 0 1889 16881 364176 717257 Cholic acid 37909 160710 15065 18584 118968 1012360 21139 3454 32635518 18906 17909 142554 61507 18771 6317 1721355 758335 45906 1746 102162 36710 2113135 3251240 .alpha.-Muricholic acid 30307 93691 26224 116712 48880 129323 18624 21872 3813700 23913 23470 28745 22579 4749 21614 192435 149239 25476 5586 35217 114796 103450 179924 Cytidine 5'-diphosphate ethanolamine 319414 519656 301350 185190 280482 281567 225702 253846 289770 238571 204536 276152 266910 398358 227874 257102 269814 293084 198312 259805 322606 204996 320072 lysoPE 16:1 93130 119012 160928 262250 104900 115246 175256 77722 221790 270798 386341 47946 157354 79735 193893 144752 148850 98499 235294 187394 68441 112108 103704 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 2287281 3641750 3462144 4452502 2484086 3848578 3368582 1969692 4053828 5735132 5708166 3088014 3765501 4582144 3594853 3915302 4548920 3460230 4313077 3385448 2348320 3468104 4199516 GLYCOCHOLATE 42324 127489 23175 40980 61932 195516 72784 10293 1472178 18395 22256 65751 84802 74663 19383 136786 65488 73135 56536 70465 23597 262610 535621 Cholesterol 3-sulfate 1353383 2985374 1959196 1694561 1611803 1524824 1775282 1040764 1346602 2420849 1547671 713786 1773554 1261662 1378495 1423788 1867491 1349576 2074249 1841199 1663814 1642680 1504259 lysoPE 18:2 480311 544224 306508 423664 621960 602294 515934 309290 649391 417615 495008 485612 594230 287367 325855 651197 739610 494715 425637 464832 582265 607401 466834 lysoPE 18:1 1602200 2458532 1839366 2071576 1646717 2181194 2059444 943156 3100446 2185256 2693730 1443588 2350391 1129718 1795492 2186758 2703662 1387590 1703082 2162596 1563934 2777288 2119394 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 1557243 2164066 2292991 2471984 1646936 2314866 1951852 937344 2208021 3161336 2684997 1515524 1831140 2833649 2368553 2217639 2546312 1807826 2362902 1979153 1441709 1624124 1706343 C18-M481T632 163723 74067 87489 121889 174858 233550 100289 68105 425816 90972 46031 13859 173148 19155 123452 144129 85245 42571 150343 132517 47254 118174 53448 Taurodeoxycholic acid 5000704 2548932 2227766 2274808 4992884 7702253 2481266 2505316 33889488 1508198 1914717 1656134 14771525 1739284 1904064 5260888 4127137 5233633 1741067 3860035 1789504 5352487 5615054 lysoPE 20:4 1477134 1880819 1828060 1810388 1404246 1813494 1224662 1084214 2761335 1520071 2274958 1356197 1092133 776581 1768766 1641654 2920123 851071 666464 2051753 745979 2251614 1376330 Maltotriose 212988 608098 308384 342659 133822 205994 63684 142893 211036 474092 232717 561270 70928 289325 105948 397598 655720 99747 51559 178808 255301 681034 381421 1-Oleoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) 308006 194963 295830 208035 216914 372633 231103 377047 221346 254834 400679 239326 250686 204058 265924 183682 279730 268197 160130 351379 198890 261474 539127 Taurocholic acid 16288350 15898653 21623796 21629718 21837678 54645060 28494712 3034247 155978336 11994499 15633649 23479992 29161318 17244602 12864791 30032100 20815662 15981338 19289244 39217164 7277530 35288380 81017232 Isomer of Taurocholic acid 57024236 12946750 17247536 24844322 34388136 37568152 23601574 34724592 50671364 11056254 15845412 11620487 10691093 9554374 15284085 32808196 22790660 30697432 18615418 26471536 16463732 10387506 34891564 lysoPE 22:6 1031456 1626964 1326328 842474 1227200 1177762 970989 775298 1753857 918522 1524092 1166158 771922 619590 873232 960573 886589 489714 595104 1487271 617968 1591386 1063217 lysoPC 16:1 535191 572035 693650 1038828 489238 582814 903216 649771 981232 764091 986025 317889 867766 316497 849642 610525 685058 792613 1092600 685947 454452 559848 447309 lysoPC 16:0 33830608 36167168 35059132 43333632 35029908 43466624 37832616 34674724 45481140 47869224 50072756 25220020 40051204 41465096 42325688 40432936 41201580 49228176 45078448 35197264 30227098 31994406 31939068 1-Heptadecanoyl-sn-glycero-3-phosphocholine 682353 643047 434082 393729 580879 821912 502348 596798 680158 477580 498294 488336 829005 625342 419080 791275 843830 890146 458174 429358 591595 698878 428877 Adenosine 5'-diphosphoribose 5722030 5685966 3479595 1698810 3390014 5026130 3669867 4900872 5241692 5132915 4462918 6153370 3922729 7957750 2807756 6697419 5040050 5303973 1750000 5282125 5937492 6626134 7664156 lysoPC 18:2 4551183 3168492 3089072 3821796 5988083 4319568 4293128 3425710 4518937 3593450 3113329 2434475 4944170 2378112 2955562 4493750 4531456 5088431 4687570 3642228 4558392 3293857 2253614 Uridine 5'-diphospho-D-glucose 1892997 1344595 2146584 1819030 2262446 2988840 1265684 1264835 1988222 1704978 877958 959795 3989310 2650846 1458945 1315999 1204942 2196312 1848140 1023985 1588589 2027141 3535737 1-Oleoyl-sn-glycero-3-phosphocholine 3795166 4736202 2848102 4269882 3777319 4813666 3993930 4323267 6177664 3883244 4104368 2717012 5763982 2788924 4110480 4782246 5372508 5368603 4527298 3511704 3967432 5202741 3673589 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 27259446 17454336 18353910 17123356 18838936 22019234 15645143 26206270 16281385 19231016 17335610 18264918 17199594 27546572 18455872 18370798 17738894 29977326 18903192 16657221 15157619 12965907 13883153 Uridine diphosphate glucuronic acid 50535 26055 60344 17200 68461 141825 62674 77683 14198 46012 32717 107915 253079 98564 26094 91821 73962 195017 44826 30581 36193 19120 427928 lysoPC 20:4 4631546 4445946 3754974 3243864 3821230 4163471 2619504 3647584 5370110 2452594 3187074 2557536 2967066 1661683 3367127 3592922 3605942 3244820 1661933 3906753 2651179 4155201 3477376 Guanosine 5'-diphosphate-D-mannose 139119 177465 153777 134315 142919 170279 137563 146827 186879 158743 147774 151598 141386 224667 182595 146717 137871 168302 124508 156283 141595 164677 166003 Uridine-5-diphosphoacetylglucosamine 2922620 2813036 1963970 1457863 2682194 2705056 1590618 3200320 3964235 1953717 1364078 4473494 2216335 2525551 2522374 2700586 2344064 5792404 2024612 1637633 3001004 2475684 6822296 Glutathione (oxidized) 1204254 1990484 804374 1257378 1307294 1960334 1309113 845181 1959754 1250310 962441 878153 1568750 1205908 1405966 2668809 2051261 1881054 1308745 976435 2048966 1561974 2730583 lysoPC 22:6 1262344 1823199 1438171 1394089 1254008 1378162 1116766 1104542 1968932 1088797 1570662 1305410 1012898 764876 1336198 1285963 1306491 1060399 733400 1522685 916185 1946581 1334254 beta-Nicotinamide adenine dinucleotide 1082271 714261 1021810 1233546 2009892 584571 1753098 654204 1593700 888845 868540 228998 1593606 806760 1472335 1050987 358711 612135 2386179 961128 726696 260457 362246 Maltotetraose 208929 427561 325783 270791 156411 202197 92073 150625 171078 477233 238948 446718 88116 209812 107358 306534 411339 109002 68168 199147 223683 564532 360706 3'-Dephosphocoenzyme A 205261 255461 167503 200135 91388 189277 108870 171409 236481 240974 253550 274470 143103 151864 146376 279443 333996 228964 71956 156509 232355 380386 392421 PE 34:2 1283144 1803378 1098225 1066209 1228300 1289956 1628858 791664 1132155 1433335 2137084 1086414 1476376 1622989 831615 1307035 1555868 1137144 1375195 1379756 1202418 909644 1093991 plasmenyl-PE 36:4 338918 311466 279862 185738 304595 305513 238783 419638 220757 168193 210712 378384 239319 301338 169101 245699 261579 511678 182593 272569 319474 275001 367866 PE 36:5 332878 462928 570925 520807 469669 358146 580367 328638 465406 517626 907707 146803 542125 211770 416315 418266 382706 329337 601806 626676 293620 267036 252963 PE 36:4 2883108 3419840 3948344 2991855 2980980 2886952 3947096 2476351 2873450 3731109 4800700 2397550 3679950 2902690 3051095 3092258 3396589 2737011 3618232 3961984 2789826 2657433 2675618 PE 36:2 609076 653218 611176 269823 519133 334144 656502 423524 332470 396342 793375 481911 441263 396096 299143 365441 410205 313475 356846 643695 376055 428579 446941 Palmitoyl sphingomyelin 1327761 2027526 1347896 1171704 1095862 1979003 1140200 1713771 1012338 928857 912181 2154092 1414189 2043670 1061822 1431364 1457145 2030191 1098870 1011313 1705949 1114080 1471383 PE 38:7 391979 496647 482359 351886 441577 351620 534989 441812 381376 384434 629834 290786 496413 285474 341206 418372 331026 349493 445544 518616 419718 339990 327270 PE 38:6 8048704 10985016 9138268 5298651 7996070 7461350 9511136 8217912 7267525 7025554 8118554 9913289 8316780 9150359 5934536 8170688 7116248 6815390 7334486 8805929 9279675 8642621 8901411 PE 38:4 3351819 2780771 3750779 2979196 2929237 1886434 3517613 2987215 2127300 2297059 3426698 2568538 2635057 2430671 3654474 2240848 3233033 1719808 2077369 3569495 1768523 2201800 1829947 PC 32:1 301420 437925 594026 1068206 321989 388547 667833 449644 594630 1366788 1372557 191672 676143 603066 870432 548791 510295 407739 1383012 506810 313607 328264 339530 PC 32:0 436270 531176 389519 474503 453316 511909 436230 625385 438449 527066 499760 489956 534499 544561 503297 457369 479285 631271 457319 323499 527444 433406 566183 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 518021 621472 557055 680694 621962 655621 561438 765506 592609 674111 474639 626321 800609 547911 646789 684780 656074 858799 604058 542893 941023 447748 395366 Flavin adenine dinucleotide 128266 204232 129472 133414 141248 141954 117959 139035 187831 135610 132827 153729 156922 151329 141821 177331 188206 173021 146013 132613 173892 167200 173838 PE 40:8 384110 307307 250390 154042 348308 288044 221157 361581 239855 129251 179152 632468 283266 199874 175205 269363 282978 249116 124542 234272 580978 416294 216810 PE 40:7 2136466 2533470 2116172 890197 2479139 1794093 2229755 1806321 1788272 1232106 1835417 2237850 2103696 1293877 1158210 1672722 1573693 1148047 1286969 2164233 2151808 2366222 2071854 PC 34:3 1544639 1084866 1664654 1722178 1601320 1417876 1648978 1792562 1662836 1533070 1555516 1082324 1659872 1269256 1596210 1516003 1382754 1623458 1612095 1515785 1816553 1132127 866928 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 13545132 14269455 14483705 16055683 15949878 16149073 14867880 12537634 14706712 19547968 16071928 12536347 15374708 17034496 15166853 16642966 17220602 14829811 16344518 14533496 17277082 11691140 9317929 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 2764259 1695842 1795701 1295416 2199594 1948350 1570948 2703064 1437087 1275573 1204841 2493665 2035373 1867234 1197534 1640708 1517952 2320904 1258974 1617258 2578422 1304305 1365595 PG 40:8 222138 184066 90014 47445 221488 206097 75485 286371 170987 34790 35689 277679 160962 102516 68582 98157 135887 170601 44727 95615 209452 163077 494265 PC 36:5 655553 635341 961945 1466011 748966 670309 894492 742084 779381 1242952 1425965 512423 976044 594243 1016832 833165 674002 758879 1323877 891164 889390 541711 420643 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 9991409 11102895 11913657 9578996 11220758 11906774 8784774 9739107 10204941 9050966 9398608 8590715 11323925 9579037 10629444 10997354 11249085 10137181 8866908 10592059 11045575 9666389 11287067 PI 34:2 574827 492408 270124 491724 563464 867133 504307 776550 449868 604800 505142 556916 655550 1103162 469480 751954 734984 1134799 399423 343704 584939 362547 489449 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 1125404 1773847 1401479 1222737 1476040 1514392 1673236 905793 1243617 1222394 1499363 1751205 1463472 1999288 1216224 1505384 1595180 1205297 1603353 1270707 1650425 1379748 1874629 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 7394028 9507230 7373948 8139726 7443880 8495769 7094080 8058764 8770305 7334037 7774672 10452590 8063624 9858293 9091305 9350243 9422498 7770286 8049192 6867364 10617516 9716569 10503880 PI 36:4 929828 961212 1266437 1850870 926654 1387136 1487503 1509475 1217970 2040674 1391650 1063286 1466977 2176522 1669648 1242327 1258368 1694670 2064769 1333953 1257288 778068 1166658 PC 40:8 527166 416049 359725 260907 497237 459470 356572 542927 442868 260686 293228 690842 425065 241900 375579 460267 486531 426806 283081 364249 761252 523518 255487 PC 40:7 1182364 1449227 940950 779510 1105496 1308488 1037434 1480573 1462451 682799 834506 1526226 1390898 1052080 1010631 1358229 1305914 1057072 907515 1000809 1557573 1586090 1340845 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 1293256 1081609 1099992 879134 969872 1030344 999099 1673065 996546 804998 902905 1783137 997892 1986446 1045684 1102718 963789 1131901 1099402 954289 1119232 1122470 1193532 PI 38:5 734495 721148 597005 684509 598272 926251 581875 1075878 881140 561338 610892 938215 955273 627858 616449 818358 740604 1142622 580118 560541 1089428 924337 747915 PI 38:4 5675262 5616210 5134616 3792370 4986542 3826002 5243589 5113089 4764286 4239358 4656154 5756259 4534411 4940258 4315901 4326570 4308325 3945430 4123598 4562131 4884332 4721814 5933448 metabolite_name Average Rt(min) Average Mz INCHIKEY Pyruvic acid 5.225 87.00747 LCTONWCANYUPML-UHFFFAOYSA-N Alanine 8.072 88.0392 QNAYBMKLOCPYGJ-REOHCLBHSA-N lactic acid 3.46 89.02306 JVTAAEKCZFNVCJ-UHFFFAOYSA-N Glyceraldehyde 7.784 89.02311 MNQZXJOMYWMBOU-UHFFFAOYSA-N Phosphoric acid 10.022 96.9587 NBIIXXVUZAFLBC-UHFFFAOYSA-N 2-Hydroxyisobutyric acid 2.415 103.03876 BWLBGMIXKSTLSX-UHFFFAOYSA-N 3-Hydroxybutyric acid 1.823 103.03876 WHBMMWSBFZVSSR-UHFFFAOYSA-N Serine 8.653 104.03404 MTCFGRXMJLQNBG-REOHCLBHSA-N 1_Serine_d8 8.656 107.05286 iSTD Hypotaurine 8.06 108.01124 VVIUBCNYACGLLV-UHFFFAOYSA-N Uracil 2.417 111.01871 ISAKRJDGNUQOIC-UHFFFAOYSA-N Maleic acid 1.731 115.00253 VZCYOOQTPOCHFL-UPHRSURJSA-N Succinic acid 3.963 117.01806 KDYFGRWQOYBRFD-UHFFFAOYSA-N Methylmalonic acid 3.16 117.01809 ZIYVHBGGAOATLY-UHFFFAOYSA-N 2-Hydroxy-3-methylbutyric acid 1.842 117.05453 NGEWQZIDQIYUNV-UHFFFAOYSA-N Threonine 8.249 118.04971 AYFVYJQAPQTCCC-GBXIJSLDSA-N Taurine 7.778 124.00595 XOAAWQZATWQOTB-UHFFFAOYSA-N Pyroglutamic acid 7.769 128.03406 ODHCTXKNWHHXJC-VKHMYHEASA-N Itaconic acid 3.346 129.01801 LVHBHZANLOWSRM-UHFFFAOYSA-N TRANS-4-HYDROXYPROLINE 8.084 130.04967 PMMYEEVYMWASQN-DMTCNVIQSA-N N-Acetylalanine 4.707 130.0498 KTHDTJVBEPMMGL-VKHMYHEASA-N Isoleucine 7.177 130.08609 AGPKZVBTJJNPAG-WHFBIAKZSA-N Leucine 6.996 130.08621 ROHFNLRQFUQHCH-YFKPBYRVSA-N Ethylmalonic acid 2.341 131.03375 UKFXDFUAPNAMPJ-UHFFFAOYSA-N Methylsuccinic acid 2.751 131.03381 WXUAQHNMJWJLTG-UHFFFAOYSA-N Asparagine 8.724 131.04498 DCXYFEDJOCDNAF-REOHCLBHSA-N 2-ethyl-2-hydroxybutyric acid 1.629 131.07013 LXVSANCQXSSLPA-UHFFFAOYSA-N Aspartic acid 9.213 132.02905 CKLJMWTZIZZHCS-REOHCLBHSA-N Adenine 4.609 134.04613 GFFGJBXGBJISGV-UHFFFAOYSA-N Threonic acid 9.248 135.02866 JPIJQSOTBSSVTP-GBXIJSLDSA-N Hypoxanthine 4.909 135.03003 FDGQSTZJBFJUBT-UHFFFAOYSA-N O-Phosphocolamine 9.163 140.01041 SUHOOTKUPISOBE-UHFFFAOYSA-N N-Isobutyrylglycine 3.567 144.06537 DCICDMMXFIELDF-UHFFFAOYSA-N Adipic acid 2.102 145.04973 WNLRTRBMVRJNCN-UHFFFAOYSA-N Glutamine 8.58 145.06039 ZDXPYRJPNDTMRX-VKHMYHEASA-N Lysine 9.546 145.09708 KDXKERNSBIXSRK-YFKPBYRVSA-N Glutamic acid 8.76 146.04459 WHUUTDBJXJRKMK-VKHMYHEASA-N 1_Glutamine_d5 8.586 150.09218 iSTD Xanthine 5.614 151.0249 LRFVTYWOQMYALW-UHFFFAOYSA-N Arabitol 7.031 151.06007 HEBKCHPVOIAQTA-QWWZWVQMSA-N Histidine 9.378 154.06102 HNDVDQJCIGZPNO-YFKPBYRVSA-N Allantoin 5.652 157.03569 POJWUDADGALRAB-UHFFFAOYSA-N N-Isovalerylglycine 2.752 158.08115 ZRQXMKMBBMNNQC-UHFFFAOYSA-N Ala-Ala 8.324 159.07648 DEFJQIDDEAULHB-QWWZWVQMSA-N N-Methylglutamic acid 8.439 160.06053 XLBVNMSMFQMKEY-UHFFFAOYSA-N Ser-Gly 9.162 161.05569 WOUIMBGNEUWXQG-VKHMYHEASA-N 3-Phenyllactic acid 1.85 165.05467 VOXXWSYKYCBWHO-UHFFFAOYSA-N Phosphoenolpyruvic acid 9.26 166.97423 DTBNBXWJWCWCIK-UHFFFAOYSA-N .beta.-Glycerophosphate 8.913 171.0054 DHCLVCXQIBBOPH-UHFFFAOYSA-N N-Acetylleucine 2.066 172.09668 WXNXCEHXYPACJF-ZETCQYMHSA-N Hexanoylglycine 2.313 172.09694 UPCKIPHSXMXJOX-UHFFFAOYSA-N Dehydroascorbic acid? 4.423 173.00827 SBJKKFFYIZUCET-JLAZNSOCSA-N Guanidinosuccinic acid 8.771 174.0511 VVHOUVWJCQOYGG-REOHCLBHSA-N Citrulline 8.817 174.08743 RHGKLRLOHDJJDR-BYPYZUCNSA-N Ala-Ser 9.02 175.07138 IPWKGIFRRBGCJO-IMJSIDKUSA-N L-Gulono-1,4-lactone 4.265 177.03969 SXZYCXMUPBBULW-SKNVOMKLSA-N Glucose 7.783 179.0549 GZCGUPFRVQAUEE-SLPGGIOYSA-N Mannose 8.083 179.05524 WQZGKKKJIJFFOK-QTVWNMPRSA-N 4-Hydroxyphenyllactic acid 3.659 181.04947 JVGVDSSUAVXRDY-UHFFFAOYSA-N Mannitol 7.758 181.07074 FBPFZTCFMRRESA-KVTDHHQDSA-N 4-Pyridoxic acid 2.699 182.04492 HXACOUQIXZGNBF-UHFFFAOYSA-N 1_Hippuric Acid d5 2.999 183.08134 iSTD N-Acetylglutamic acid 7.752 188.05551 RFMMMVDNIPUKGG-YFKPBYRVSA-N N-ACETYL-DL-METHIONINE 3.084 190.05321 XUYPXLNMDZIRQH-UHFFFAOYSA-N Citric acid 9.325 191.01886 KRKNYBCHXYNGOX-UHFFFAOYSA-N Ser-Ser 9.416 191.06653 XZKQVQKUZMAADP-IMJSIDKUSA-N Phenylacetylglycine 2.719 192.06601 UTYVDVLMYQPLQB-UHFFFAOYSA-N 2-Ketogluconic acid 8.384 193.03452 VBUYCZFBVCCYFD-JJYYJPOSSA-N Glucuronic acid 9.153 193.03464 AEMOLEFTQBMNLQ-AQKNRBDQSA-N N-Acetylhistidine 8.102 196.07213 KBOJOGQFRVVWBH-ZETCQYMHSA-N Val-Ser 8.36 203.10295 STTYIMSDIYISRG-WDSKDSINSA-N Indolelactic acid 2.091 204.06606 XGILAAMKEQUXLS-UHFFFAOYSA-N Gly-Met 7.905 205.06447 PFMUCCYYAAFKTH-YFKPBYRVSA-N Ser-Thr 9.127 205.08241 LDEBVRIURYMKQS-WISUUJSJSA-N N-Acetyl-L-phenylalanine 2.474 206.08151 CBQJSKKFNMDLON-UHFFFAOYSA-N 1_Tryptophan_d5 6.852 208.1132 iSTD Indoxyl sulfate 1.353 212.00183 BXFFHSIDQOFMLE-UHFFFAOYSA-N Ala-Gln 9.034 216.09837 HJCMDXDYPOUFDY-WHFBIAKZSA-N Ala-Lys 9.66 216.13483 QXRNAOYBCYVZCD-BQBZGAKWSA-N Val-Thr 8.043 217.11877 GVRKWABULJAONN-VQVTYTSYSA-N Ser-Asn 9.526 218.07744 LTFSLKWFMWZEBD-IUYQGCFVSA-N Pantothenic acid 3.394 218.10283 GHOKWGTUZJEAQD-ZETCQYMHSA-N Cystathionine 9.868 221.05959 ILRYLPWNYFXEMH-WHFBIAKZSA-N N-Acetyl-D-glucosaminitol 7.304 222.0977 DWAICOVNOFPYLS-LXGUWJNJSA-N N-Acetyl-D-galactosaminitol 7.615 222.09779 DWAICOVNOFPYLS-OSMVPFSASA-N Carnosine 9.568 225.09875 CQOVPNPJLQNMDC-ZETCQYMHSA-N 2-Deoxyuridine 3.11 227.06683 MXHRCPNRJAMMIM-SHYZEUOFSA-N Ergothioneine 7.813 228.08069 SSISHJJTAXXQAX-ZETCQYMHSA-N Ribose 1-phosphate 9.23 229.01135 YXJDFQJKERBOBM-TXICZTDVSA-N D-Ribulose 5-phosphate 9.074 229.01135 KTVPXOYAKDPRHY-SOOFDHNKSA-N Thymidine 2.662 241.08263 IQFYYKKMVGJFEH-XLPZGREQSA-N Pseudouridine 7.006 243.06171 PTJWIQPHWPFNBW-GBNDHIKLSA-N Uridine 4.915 243.06177 DRTQHJPVMGBUCF-XVFCMESISA-N C18-M245T334 1.923 245.01212 IQWLPDPKVFZEOK-UHFFFAOYSA-N .gamma.-Glu-Cys 9.088 249.05482 RITKHVBHSGLULN-ROLXFIACSA-N Daidzein 1.148 253.05035 ZQSIJRDFPHDXIC-UHFFFAOYSA-N Thr-His 9.623 255.10965 WXVIGTAUZBUDPZ-DTLFHODZSA-N 5-Methyluridine 4.333 257.07761 DWRXFEITVBNRMK-JXOAFFINSA-N .alpha.-D-Galactosamine 1-phosphate 9.655 258.03821 YMJBYRVFGYXULK-VFUOTHLCSA-N Fructose-1-phosphate 9.532 259.02216 ZKLLSNQJRLJIGT-UYFOZJQFSA-N Glucose-6-phosphate 9.807 259.02219 NBSCHQHZLSJFNQ-GASJEMHNSA-N Glucose-1-phosphate 9.673 259.02222 HXXFSFRBOHSIMQ-VFUOTHLCSA-N gamma-Glutamylleucine 8.012 259.1301 MYFMARDICOWMQP-YUMQZZPRSA-N Adenosine 4.92 266.08923 OIRDTQYFTABQOQ-KQYNXXCUSA-N Inosine 6.265 267.07333 UGQMRVRMYYASKQ-KQYNXXCUSA-N L-Saccharopine 9.81 275.12479 ZDGJAHTZVHVLOT-YUMQZZPRSA-N C14-SAS (TENTATIVE) 1.713 277.18405 MZBFYGYTZIZFQC-UHFFFAOYSA-N Xanthosine 7.314 283.06827 UBORTCNDUKBEOP-UUOKFMHZSA-N OPHTHALMIC ACID 8.97 288.12003 SPLUHYDIQKURQW-UHFFFAOYSA-N Glutathione (reduced) 9.06 306.07632 RWSXRVCMGQZWBV-WDSKDSINSA-N N-Acetylneuraminic acid 8.965 308.09833 SQVRNKJHWKZAKO-LUWBGTNYSA-N Cytidine-5'-monophosphate 9.527 322.04416 IERHLVCPSMICTF-XVFCMESISA-N Uridine 5'-monophosphate 9.083 323.02817 DJJCXFVJDGTHFX-XVFCMESISA-N N-Glycolylneuraminic acid 9.334 324.09311 FDJKUWYYUZCUJX-AJKRCSPLSA-N N-Acetylglucosaminylasparagine 9.589 334.12543 YTTRPBWEMMPYSW-VFFCQLMOSA-N 1_CUDA 1.12 339.26483 iSTD Maltose 8.866 341.10858 GUBGYTABKSRVRQ-QUYVBRFLSA-N Adenosine 5'-monophosphate 8.975 346.05524 UDMBCSSLTHHNCD-KQYNXXCUSA-N Inosine-5-monophosphate 9.257 347.03949 GRSZFWQUAKGDAV-KQYNXXCUSA-N Guanosine-5'-monophosphate 9.582 362.05032 RQFCJASXJCIDSX-UUOKFMHZSA-N Coenzyme A 9.697 382.55011 RGJOEKWQDUBAIZ-DRCCLKDXSA-N S-Adenosyl-homocysteine 8.759 383.11389 ZJUKTBDSGOFHSH-WFMPWKQPSA-N 3-Oxocholic acid 1.542 405.26425 OEKUSRBIIZNLHZ-DJDNIQJZSA-N Cholic acid 2.416 407.27985 BHQCQFFYRZLCQQ-OELDTZBJSA-N .alpha.-Muricholic acid 1.787 407.28 DKPMWHFRUGMUKF-GDYCBZMLSA-N Cytidine 5'-diphosphate ethanolamine 9.908 445.05325 WVIMUEUQJFPNDK-PEBGCTIMSA-N lysoPE 16:1 5.827 450.26224 JURXBKAAUDRHQL-VUDRXDFFNA-N 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 5.801 452.27805 YVYMBNSKXOXSKW-HXUWFJFHSA-N GLYCOCHOLATE 6.184 464.3009 RFDAIACWWDREDC-RGWSMLPJSA-N Cholesterol 3-sulfate 1.131 465.30389 BHYOQNUELFTYRT-DPAQBDIFSA-N lysoPE 18:2 5.787 476.27762 JPISVYYBZRAENZ-JVFIUPCPNA-N lysoPE 18:1 5.759 478.29297 WAYKKNOEMJFLDI-IBILSUDKNA-N 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 5.74 480.30896 BBYWOYAFBUOUFP-JOCHJYFZSA-N C18-M481T632 6.017 481.20688 Tracked unknown likely of colonic origin Taurodeoxycholic acid 5.482 498.28888 AWDRATDZQPNJFN-VAYUFCLWSA-N lysoPE 20:4 5.629 500.27771 ROPRRXYVXLDXQO-IVTZGTMENA-N Maltotriose 9.615 503.16187 FYGDTMLNYKFZSV-DZOUCCHMSA-N 1-Oleoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) 5.322 509.28796 FQQQKGAFQIIGLQ-VYFUBJQISA-N Taurocholic acid 6.219 514.28369 WBWWGRHZICKQGZ-HZAMXZRMSA-N Isomer of Taurocholic acid 5.916 514.28375 null lysoPE 22:6 5.614 524.27759 XEVRBOQZSXWGQO-YUYXEHIYNA-N lysoPC 16:1 5.552 538.31494 JBFBGNHYRPBNML-IQZBKSPKNA-N lysoPC 16:0 5.531 540.33032 ASWBNKHCZGQVJV-QWVACARCNA-N 1-Heptadecanoyl-sn-glycero-3-phosphocholine 5.499 554.34595 SRRQPVVYXBTRQK-XMMPIXPASA-N Adenosine 5'-diphosphoribose 9.879 558.06342 SRNWOUGRCWSEMX-TYASJMOZSA-N lysoPC 18:2 5.514 564.33038 CLDXAAPENVNFAW-BVADBSETNA-N Uridine 5'-diphospho-D-glucose 10.078 565.04736 HSCJRCZFDFQWRP-NQLXBZPJSA-N 1-Oleoyl-sn-glycero-3-phosphocholine 5.485 566.34601 YAMUFBLWGFFICM-PTGWMXDISA-N 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 5.471 568.36151 IHNKQIMGVNPMTC-RUZDIDTESA-N Uridine diphosphate glucuronic acid 10.327 579.02667 HDYANYHVCAPMJV-LXQIFKJMSA-N lysoPC 20:4 5.35 588.33026 LAXQYRRMGGEGOH-KMKMFGRZNA-N Guanosine 5'-diphosphate-D-mannose 10.28 604.06952 MVMSCBBUIHUTGJ-UUWGOFOASA-N Uridine-5-diphosphoacetylglucosamine 9.932 606.07446 LFTYTUAZOPRMMI-MPIASZHXSA-N Glutathione (oxidized) 10.183 611.14441 YPZRWBKMTBYPTK-BJDJZHNGSA-N lysoPC 22:6 5.332 612.33051 LSOWKZULVQWMLY-OWEVOAQNNA-N beta-Nicotinamide adenine dinucleotide 9.77 662.1015 BAWFJGJZGIEFAR-DQQFMEOOSA-N Maltotetraose 9.953 665.21478 LUEWUZLMQUOBSB-CHYJJPLWSA-N 3'-Dephosphocoenzyme A 8.803 686.14154 KDTSHFARGAKYJN-RXPJKXIYSA-N PE 34:2 4.798 714.50763 IMVDQCLSTQXHPU-QKPYYWOQNA-N plasmenyl-PE 36:4 4.595 722.513 UUYSKERSKRMYME-WDOMHBQUNA-N PE 36:5 4.715 736.49237 XFRCOQNGYDRHGM-PKEWNNLCNA-N PE 36:4 4.712 738.50781 DRIVXEVMDWCWLI-YNUGURJWNA-N PE 36:2 4.764 742.53796 NCTWKICFLXWFCF-KXXHKQOENA-N Palmitoyl sphingomyelin 5.285 747.56586 RWKUXQNLWDTSLO-GWQJGLRPSA-N PE 38:7 4.691 760.49255 VWIHJAVKPYOIRQ-BMCRRDOWNA-N PE 38:6 4.687 762.508 MPWUZHVZZKSTPV-MRHAKPTQNA-N PE 38:4 4.672 766.53864 ANRKEHNWXKCXDB-PWVMNBQONA-N PC 32:1 4.595 776.54431 KYYBJTVETBSVLE-JQCPEQIZNA-N PC 32:0 4.624 778.56061 KILNVBDSWZSGLL-WHUAGQPENA-N 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 5.787 782.49774 DKLQKRSJZISZKW-KNFJROLASA-N Flavin adenine dinucleotide 9.615 784.15009 VWWQXMAJTJZDQX-UYBVJOGSSA-N PE 40:8 4.656 786.50818 IDXXZANLXGNUAN-JWLMFRFONA-N PE 40:7 4.645 788.52338 MIEYBHWKRILIAE-IVSCVJLNNA-N PC 34:3 4.541 800.54559 JSQUBUUJMNCKOE-MASFXBGKNA-N 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 4.561 802.56073 JLPULHDHAOZNQI-ZTIMHPMXSA-N 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 5.765 810.52917 SVOUGFFDROZBJI-DNALCEECSA-N PG 40:8 1.94 817.50256 FIFVZPLQNTXBJA-SFQRGUMBNA-N PC 36:5 4.468 824.54541 JPXDXXYIHAIKNY-PMOALWAANA-N 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 4.462 826.5611 IIZPXYDJLKNOIY-JXPKJXOSSA-N PI 34:2 5.916 833.51862 DFJJYXXHARGOCR-SIICFRSJNA-N 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 5.748 834.52887 LYYHRRPTEXPVOR-SYEOQEKUSA-N 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 4.418 850.56049 IESVDEZGAHUQJU-ZLBXKVHBSA-N PI 36:4 5.866 857.51794 KIQYUSYSJTUGFZ-JFAKETHINA-N PC 40:8 4.369 874.56049 FAWAIUAGVSEAJO-VEKVMZOTNA-N PC 40:7 4.363 876.57544 ZEAKXAXFIRHBSN-JALIKZMTNA-N 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 4.38 878.59088 FAUYAENFVCNTAL-PFFNLMTBSA-N PI 38:5 5.835 883.53406 SSZPKZKUQCKMKS-YJEDTVIBNA-N PI 38:4 5.835 885.54938 KRTOMQDUKGRFDJ-HLNXWEMFNA-N