metabolite_name EM1-1 EM1-2 EM1-3 EM1-4 EM1-5 EM3-1 EM3-2 EM3-3 EM3-4 EM3-5 EM5-1 EM5-2 EM5-3 EM5-4 EM5-5 Veh-1 Veh-2 Veh-3 Veh-4 Veh-5 1400w-1 1400w-2 1400w-3 1400w-4 1400w-5 Glycine M+0 1791232 1932113 2143008 2223780 2066249 3184767 3305786 3135936 2752340 2827766 3621201 3815690 3424740 3760706 3390482 4090392 4344590 3546628 3480656 4241490 3581236 3092331 2360352 2930688 3378311 Glycine M+2 144838 161757 185741 171100 151872 397796 391284 388855 344630 330552 402476 655272 585522 627946 591366 687374 678214 564988 576413 731409 357869 322579 218099 289791 369906 Pyruvate M+0 9162647 10050493 11408966 13709888 9423779 12501680 14380743 13042959 10477011 11281411 15328520 15798923 19576174 17972624 19461126 15784092 19754282 15277045 16647266 21821774 15350984 16743152 12710330 17075528 15502380 Pyruvate M+1 404295 536087 582946 738841 415058 753676 894577 872426 576342 564414 839751 1125217 1400446 1224403 1477318 1318926 1386760 1178779 1229573 1773771 1255455 1125391 768243 1240890 1102060 Pyruvate M+3 820655 991703 1539464 1732042 1007692 2146032 2052864 2733724 1917766 1446141 3237999 6007776 8697594 6289020 8421827 7223798 7615600 5832308 5921508 9332269 4343856 5121622 3681469 6325415 4714306 Alanine M+0 2343964 2050489 2500348 2337879 2168405 4910412 4662606 5664654 4446742 4461606 5233228 7189843 5799718 7926270 6670202 7921849 8676171 7130540 7377754 7977520 6206234 5339942 3593359 4703735 5248838 Alanine M+1 89942 74302 89990 85598 78365 207098 187135 213860 156072 180503 169905 298700 250694 347020 281643 430392 424425 341326 305530 386012 268829 223066 179580 246598 234235 Alanine M+2 19709 26811 27989 20541 21708 63543 76228 78776 72875 80122 58769 125918 130299 159315 138797 200322 195761 164083 166153 185023 88045 83013 80388 93666 119215 Alanine M+3 110524 107024 145882 140538 105658 513940 491306 641640 461861 443574 623683 1528575 1269925 1527520 1441039 1836811 1751263 1363926 1455856 1778737 642758 656776 438467 634221 825571 Lactate M+0 73225544 64164916 74407664 82405512 71014648 91376000 159892352 106336072 64227904 109836944 227355776 334610176 347578944 313981472 310514752 356948288 419717184 292363008 230570160 524182496 274338144 252319232 142281696 241818176 242942544 Lactate M+1 5920740 5360556 7313876 7077332 4651006 9022082 16405200 10692879 7190590 8686683 22181102 35100452 39303856 39687136 31862892 39025852 49083080 27942258 31456846 50353812 26936442 19363144 13156760 26371986 27850560 Lactate M+2 3672686 3592694 5530236 4161682 2770415 5487820 10943668 7037824 4986656 5706832 16701633 30203618 31102794 30474578 27035684 33031684 42578148 25143914 22765922 39164580 20228896 15543655 10053013 21272906 22859020 Lactate M+3 12746155 12655128 20715864 16249853 11349526 22672766 41879052 28188182 21493916 21581266 105719232 220707984 234076992 229085056 180976144 227250464 270065728 151863168 179156928 294876736 111759664 96834744 64393780 129710376 134281872 Acetoacetate M+0 1279493 1304966 1458706 1248803 1390645 1286628 1869633 1324785 1064936 1326213 1947642 1242540 1587085 1312506 1414710 966788 1102848 1389569 1429881 1535024 1312810 1600483 1050586 1095806 1434262 2-Oxobutanoate M+0 79076568 84499544 83613168 83883960 80765584 83927280 89806624 84029816 79422288 76958504 87455376 82977760 94416032 81842808 80433880 78470448 88764480 78484352 79789392 86339360 82891744 77348576 86372216 81236168 78935632 2-Oxobutanoate M+1 3183166 1890650 3262967 1677355 3038950 1316994 3669668 1609420 1471287 1252068 2644924 1455258 3899873 565545 3117069 2068030 2213764 1651396 1363464 2502049 1911366 976243 3413498 1439505 1979983 4-Aminobutyrate M+0 1773246 2235987 2319693 3169843 1431054 4382858 5760850 5545584 3937164 3804900 3866896 4589172 5746590 5103054 4900021 3195545 6152196 3730789 4270082 6900014 3869242 3734798 3779842 4031246 4319118 4-Aminobutyrate M+2 12494 17613 20966 36823 1605 90843 102784 119160 83839 69818 85680 120663 150173 162471 136087 117531 209758 112127 129416 247307 91399 118219 110037 118243 144767 Serine M+0 1243957 1604840 1805359 2363756 2089066 3530395 3809076 3273375 2419594 2744597 4329036 4917478 4485694 4175394 3880424 4784273 5265913 4038575 4032454 5490103 4102382 3391476 2360985 2931600 3303298 Serine M+2 52975 72075 79059 74845 69639 217491 247620 225855 170859 170082 145545 363626 315477 312315 297099 324919 399192 256835 280470 364232 153807 143262 110925 124497 153096 Serine M+3 86921 85909 102623 97313 95504 249806 271655 259534 185712 204566 246302 481200 396308 401963 370873 579707 615851 432471 438235 630279 318838 302087 210400 249890 308367 Glycerate M+0 3181405 3082238 3434248 2871773 2988703 3217677 8626044 3186390 2778566 2846204 5766612 3090042 3885190 2904556 3514562 3446042 4294910 3295468 2461661 4693970 1564581 3438158 3264165 2777100 3311696 Glycerate M+5 57863 33839 123329 155051 51666 46921 342758 71103 77981 76455 91110 93858 49902 104889 64215 4918 54628 27563 22191 112974 221425 49349 326108 38257 23032 Uracil M+0 622984 694813 801208 672324 599262 936199 1834823 1272357 967156 1159706 3096327 2138164 1687918 2095097 2030514 3941902 3542509 2056598 2380687 4213078 2598514 2400456 1442012 2255666 3667599 Uracil M+1 26708 32311 42153 37766 30981 67766 137203 99323 72025 83698 338469 217195 161901 222833 190814 457910 391339 228810 260358 523256 258081 271887 150843 219408 404244 Uracil M+2 24585 165322 121031 98547 90856 128387 396467 194679 153337 232468 365833 271896 290096 271248 224014 202266 347841 341661 295158 205032 222906 290335 281521 347211 379121 Proline M+0 4329600 5371980 6527465 5610234 4745142 9500328 10660933 12739330 9411557 10464421 10409337 11323414 13744120 14203104 11123828 14685785 13832962 10563427 10321894 16138928 10229696 9186090 7586937 8717301 9794813 Proline M+1 238615 330627 329089 380754 312508 640531 629195 763812 543368 611791 654839 732207 938598 926889 774382 898466 1020369 707303 752268 1009564 657802 634300 539251 562151 687486 Proline M+2 34673 33022 51338 47623 41391 135177 173182 167194 142151 165630 217287 297035 296072 307547 303130 385063 414029 286685 297859 470617 163016 209140 172867 191644 277836 Fumarate M+0 4014674 4355272 4209222 4649010 3809734 10035048 12889402 12252993 10708380 9756901 13689515 18555128 19719516 17598210 18808458 16684392 16289298 12835866 13681949 22517444 10931188 11197731 9517588 11066025 13193478 Fumarate M+1 248386 217782 234642 255629 156400 772680 941292 966294 835287 731937 1261610 1697396 1689336 1819567 1764930 1840276 1733479 1305500 1460517 2395397 1036764 1104806 839157 1140448 1433513 Maleic acid M+0 5764218 5627520 5743405 6118170 5071484 5685291 6286539 5842796 6264686 5612433 5970466 5641117 6650159 5909073 5588788 6193585 6063384 5863946 5713992 6205279 5678756 5320480 5623702 5628640 5698868 2-Keto-isovalerate M+0 43553644 44839508 40776376 40307960 41650732 40419300 45306736 42111744 39313752 42340664 40087744 45702556 42240772 43598800 42220300 36487660 43644476 38901584 43287036 39217236 44674688 41201740 39043632 43425076 37683512 2-Keto-isovalerate M+1 2458052 1790859 2143891 1914590 2239074 2120884 2292500 1745844 1434063 1539609 1586424 1582608 2120741 1982866 1670928 1450107 1629429 1642289 1717544 2196053 1873101 1934482 2243761 1189652 2011060 Valine M+0 3423360 3709438 4018420 4790218 3114151 11006104 9495805 11811083 9789413 9399025 15371255 18134174 17321260 21707840 19892700 24901100 22206320 20389062 20272684 26620454 16189695 13050640 8658470 12417838 14848796 Valine M+1 180430 174103 191277 233302 136610 561895 506048 611985 487441 508970 797347 932528 899081 1142784 1036023 1320831 1173591 1081826 1064870 1353630 858163 681902 428279 663909 773260 Succinate M+0 127146240 140287616 117430024 126054360 111679816 137182048 152874064 140689056 129666168 130682408 165000608 158943648 168124608 173053840 170406976 160235104 163037168 146657552 167802944 177746288 151206112 139419840 138444832 157884256 156568928 Succinate M+1 5720922 6666224 5644224 5760722 5215816 6864980 7491636 7258142 6441326 6135693 9807152 9642086 10489860 10224511 9857427 9962241 9855606 8149746 10121098 11592322 8015324 7685562 6643489 8804171 9189225 Succinate M+2 1236872 1451870 1316122 1522994 1159309 1630446 2005204 1862000 1578903 1535091 2222879 2362680 2610957 2731824 2488058 3936214 2570284 1847659 2566741 4368274 1551921 1702783 2010474 2204450 3281276 Succinate M+3 12818 16820 7212 42825 7950 32550 54787 70017 46700 16019 291344 320687 323133 325796 362472 487760 368059 252200 364740 564900 192257 197650 89860 249289 376215 Threonine M+0 1680682 2058959 2183606 2223037 1852974 4402309 4814391 4779088 3706066 4135485 3516492 5485654 5234254 5163080 4880186 6170699 6144775 4901186 5171444 6648915 4066261 3697858 2895803 3431122 3921377 Threonine M+1 67360 82722 86969 88179 80731 191381 203344 191931 179403 183374 167624 211620 211600 230528 206872 265057 293531 216855 223177 279565 164883 159341 127022 142049 181884 Taurine M+0 67300784 80840808 87025880 84220048 73206024 99974240 102893264 104383080 92516920 90274784 79010408 91437280 93529696 93474800 90301912 101843568 106176184 87450896 92810816 104861976 94655904 82233072 73641544 83541888 94273992 Taurine M+1 1431176 1648554 1800143 1720391 1506270 2035042 2230284 2119869 1892991 1938809 1603059 1857820 1843494 1967536 1828704 2153616 2259978 1842473 1918624 2195921 1982343 1687325 1544526 1773094 1998519 Pyroglutamic acid M+0 10156733 12389487 11412759 26198072 14659675 22735318 21796772 18987324 14488632 16248438 24755912 29576074 35817844 33813380 31114890 28842166 35588216 24967030 26238108 40388604 45134628 34320904 39108464 36605476 41820556 Pyroglutamic acid M+1 461956 655153 599461 1394509 736505 1303210 1173902 1067781 709612 795567 1367639 1542784 1930277 1691374 1525316 1454923 1917170 1257538 1256815 2260389 2229905 1675442 2035085 1813348 2129545 Pyroglutamic acid M+2 87322 119336 111881 223431 104638 290107 303602 266396 209395 189415 283792 331472 381346 350279 308221 436246 524181 325889 349616 586784 403770 335375 364481 352875 343220 Citraconic acid M+0 19330442 30054548 31982094 40301528 20820770 14307605 17373148 16505662 13967700 11408623 121540280 48482320 53010356 45049852 49206820 46503116 56590484 35144456 41813764 65529368 65180904 58374496 51509120 65730416 55852756 Citraconic acid M+1 2878508 4643400 4822952 6408576 3262141 2277100 2805215 2744041 2212482 1751456 27740462 8906223 9034584 8180988 8635799 9373925 9836813 6682072 7899291 12109114 11319209 11493786 9110871 12250309 10830111 Citraconic acid M+3 210936 356283 390527 480507 305588 235919 251311 279609 207970 165829 3335213 1263573 1252003 1102283 1229376 1214402 1258829 843843 1068043 1602079 980809 1114996 829005 1159596 1047012 Ketoleucine M+0 12009333 8783940 8176626 9985295 16584420 12985428 9005800 9652663 6987516 5081361 10368796 7149032 7929493 7255338 9003523 7238518 9271804 9971881 6647112 8382347 7802431 9298447 7656092 7669516 6128984 N-Acetyl-L-alanine M+0 1197792 1577010 1487112 1664390 924104 2048854 2357062 2245260 1904566 1924593 3700654 4301247 4033592 3014372 3054532 3857189 4228888 2930673 3320961 4463855 2756860 1969130 1494461 2575602 3618029 N-Acetyl-L-alanine M+1 67641 68598 67928 75348 41645 90689 123546 119669 111797 113999 182282 252834 195535 178303 181391 248237 234614 184019 209004 278341 170794 104890 77648 152334 231742 N-Acetyl-L-alanine M+2 12245 13750 19029 21398 4155 72037 74719 65301 74975 62532 222043 272016 200513 202967 184924 318906 310338 230413 253698 399330 135738 121050 66576 126086 243456 N-Acetyl-L-alanine M+3 3320 17636 14114 43365 13797 96158 101760 114088 114711 90368 361694 585735 402046 421712 423122 516437 437930 421507 428845 608362 153899 136607 79647 142574 248532 Isoleucine M+0 2887292 3923829 3929517 5446749 2099693 9137843 9982775 9627615 8066974 8708422 11224062 16803016 15673514 13659663 14398502 17910732 18200458 13474685 13521358 22902064 15240149 10465657 9455395 11370565 12710831 Isoleucine M+1 174989 216039 233653 308785 125133 556741 604049 588244 526503 549371 655097 1010377 920285 851486 889110 1167778 1042192 858766 870968 1331162 967359 672124 535768 713130 829197 Leucine M+0 7446546 8742221 9123245 11671593 7003172 30842010 30430392 31330510 25550346 22665504 38699104 48611976 51047304 44204204 45358672 53935996 58110452 44013188 45930440 69344456 37505008 30689720 26942170 27713104 32236060 Leucine M+1 440756 524599 496641 668510 432177 1751852 1623035 1837131 1562301 1373964 2108666 2782078 2781555 2665782 2665302 3488556 3224018 2683691 2794682 3769542 2188665 1855941 1483953 1770400 2014991 Asparagine M+0 857099 981071 1150200 1087336 1038214 2217617 2583958 2184395 1787947 1807924 2599272 2848819 2725779 2668284 2416320 3285656 3617230 2488013 2523899 3440588 2218435 1874848 1455049 1817771 2172531 Asparagine M+1 37430 36659 42228 43877 34671 91875 105755 86994 71278 82752 101439 133915 123162 121082 108574 143882 175365 121519 128460 183060 91493 89300 54338 76603 107320 Hydroxyisocaproic acid M+0 6471887 8731263 8924088 8892991 7136608 9678035 8741942 9185221 7242752 5894330 8377978 7208960 8380241 6959035 8776843 5583912 7908990 5318657 5436806 9660482 6733115 7674727 7530816 7439566 7428130 Hydroxyisocaproic acid M+1 441071 526165 409751 575921 510307 515879 479007 520548 457063 343680 400366 347403 433740 310379 354135 336806 391210 332576 421904 464743 518555 422828 383434 507609 452170 Aspartate M+0 52631992 55900292 55460476 64898300 37357928 76183744 74537056 80204264 66737376 55025932 34876712 54293948 55571168 48201128 43251788 58924716 94459776 68894368 71732104 101832280 91195488 78546752 84083648 102151072 97032728 Aspartate M+1 5187347 4774076 4785688 5634225 3339745 7757089 7412126 8604196 7891390 6191488 3541924 5701660 5536006 5678170 4903462 8459766 11779921 10394851 10684471 12365453 12335153 12139579 10861056 14871754 14849554 Aspartate M+2 1688041 1689207 1656418 2025244 1241802 3863794 3520372 4267234 3674114 2877380 1679997 3021578 2750479 2973083 2580280 5312648 6845100 5935062 6403760 8287520 5705014 6885866 5914228 7899848 8629026 Aspartate M+3 227403 255151 267886 332164 180605 787281 682616 851356 4200588 5580365 376900 5214240 5445172 4715694 616992 1182173 7468644 5394854 4745088 1871743 5689120 7050312 1079133 7198918 1584476 Malate M+0 79087136 73985752 76985696 83277144 51847596 193373152 250327760 239899104 221289552 200754736 283920096 382176160 392462464 403494560 412299264 373111552 358697568 277126816 301635232 473430112 234867456 232674704 190010080 228219856 282967296 Malate M+1 5599972 5096106 5360370 6093256 3715427 17618928 22256756 22465810 18851472 16918570 30230786 38711984 40329792 40364240 40999684 42430868 39656764 31217778 34246612 54580024 24951280 26620070 19876410 25051880 31928436 Malate M+2 2127160 2119477 2216350 2677104 1499110 7981518 10313026 10551892 8947962 7884354 13639437 20241852 20009994 21176374 21612924 30365690 23135228 20093254 20498902 38649364 12682424 15745425 10945998 14164398 19600706 Malate M+3 247096 246908 266604 323190 176643 1556721 1834575 1961238 1585925 1388506 2902467 4400666 4558086 4712626 5015904 5703004 4769906 3573392 4401596 7676166 1924838 2645139 1825643 2230514 3406891 Malate M+4 858060 909404 828341 827139 729410 862902 888238 836245 806815 675923 1042972 1205985 323453 377314 365311 469874 423235 282157 1001685 661726 831915 1006052 890724 1054338 1022227 p-Aminobenzoate M+0 166874 136355 219033 182342 168251 221835 291886 241220 134935 169945 759289 932975 793974 788130 636143 760320 884296 639693 623426 758000 618371 424295 302193 612865 484005 Alpha-ketoglutarate M+0 841293 879471 751917 1229954 675511 2085451 1383340 1961526 2101052 1475040 3007260 2172074 2100984 2672400 3668506 1455954 935766 1969672 1844775 1802187 477009 501173 528141 640376 378531 Alpha-ketoglutarate M+1 44114 42967 45235 64595 25351 137208 95844 152575 141627 80292 263553 178875 155474 218980 283060 131245 72018 182271 149944 157237 6261 23066 22667 25501 3862 Glutamine M+0 14691525 16677505 19308346 18604400 15710369 34075220 34420928 39108016 32194092 33046646 11103430 20400844 23023488 25312414 20684124 38020624 38967680 31738030 31741584 33719944 30292564 29150686 25526304 29819646 34516640 Glutamine M+1 786755 916600 1087143 1019188 844726 1893435 1864122 2167051 1761341 1801824 582953 1112850 1302873 1372797 1154071 2029935 2092006 1713052 1701761 1801201 1641194 1552052 1382884 1559974 1848056 Lysine M+0 108346 142534 198058 206412 149228 545317 518355 556568 468738 440522 878953 1074130 858941 1014904 965867 1239539 1138998 1054855 985871 1307919 822720 641827 474494 620938 762231 O-Acetyl-serine M+0 4942673 988044 35837 29069 15108 52082 36993 47086 39247 34165 36070 34933 24406 37631 35278 24385 30190 33086 40323 35688 35014 31165 31554 31872 35084 Glutamate M+0 72174896 78091704 81117240 113089472 51987492 172213184 204911824 228802032 196004464 173199456 128705888 185730096 210622944 236420896 218995664 152868384 232927200 178655728 202492096 261693856 172825328 174515744 141723952 190483104 212319984 Glutamate M+1 5714092 6069196 6435895 9447851 3945738 14919734 18066936 20251692 17558260 15406526 12638447 17064842 19346698 22378914 20556004 16087588 24070698 18696838 20948696 27170416 17438224 18864766 15058941 20078966 22936036 Glutamate M+2 2018640 2305967 2468335 3651573 1582422 7397748 8917506 10190511 8380116 7316178 7646136 10782132 11260205 13255216 12565288 11014258 16263734 12149949 13588228 20875638 9387411 12435545 9045569 11940196 15502912 Glutamate M+3 402343 252010 254875 413054 238729 1033935 1180614 1334075 1076150 920343 1136915 1668678 1926970 2163650 2054272 1768240 2494482 1926084 2275131 3283318 1183283 1718595 1217323 1564416 2042248 Glutamate M+4 98784 190048 210585 226916 175505 183428 200567 250559 194587 340323 263037 430387 430240 522758 533086 542681 680896 521493 651237 1006076 238848 414990 290914 367543 558473 Methionine M+0 1827611 1853085 2087540 2295518 1622355 7301118 7957420 7679398 6785688 7715693 8284944 11860828 10526468 12283125 11862071 16051538 13586855 13020319 13242134 15755453 9631382 8098221 4941768 8998603 9286427 Ribose M+0 180584 127961 156395 182964 161759 458630 512626 477126 440630 524830 455653 747836 669335 793574 742452 1062524 893649 851201 861663 992004 619062 513956 344950 585672 613123 3-Methylphenylacetic acid M+0 2622380 3045065 2736248 2943770 2531906 3148494 2990950 3250252 2397476 2614501 3293253 2841098 3142752 2484045 2495870 2909076 2579065 2485344 1979156 3090966 2233806 2813991 2583634 2917388 2620802 Xanthine M+0 1229103 1611003 2421735 2648960 1675729 3670737 4414237 3528140 2032368 3886237 6535726 452481 81838 82317 63364 75514 4832836 84492 21061 1111509 7304360 2338046 1043188 493287 1704385 Xanthine M+1 65699 103226 137241 151847 97850 866118 939913 844434 429555 760533 1168626 54294 735 73.51400146 73.51400146 2136 1730030 73.51400146 73.51400146 404042 1441788 546115 230503 100386 440582 Xanthine M+2 5435 17492 16380 22640 6629 333330 350634 321536 161029 282035 376035 30222 724 877 6 1718 759349 2007 5225 173759 472605 195130 85946 62808 144338 Xanthine M+3 635 697 63.47572021 63.47572021 669 106761 105676 95043 47848 80395 114815 4980 63.47572021 63.47572021 63.47572021 63.47572021 253485 742 63.47572021 62345 124648 56877 17871 6782 39397 Histidine M+0 72660 94434 113457 202267 109617 423839 439785 414644 285659 312572 593850 603595 546532 678896 558464 832637 770592 646220 625175 848584 553905 462439 279784 421634 481907 Aminoadipic acid M+0 116967 150622 163950 171518 95338 255830 278201 356314 275879 244050 227020 283524 335563 392902 344027 290841 476997 342576 379212 513906 299184 358187 290134 335054 457279 Phenylpyruvate M+0 9803774 8811295 8769215 8514866 8722481 8794625 8737404 8785064 8766668 8788102 8325860 8948490 8203178 8869502 9646894 8616000 8529942 8856254 8613631 9034786 9028550 7321052 8985013 8607378 8672976 Phenylpyruvate M+1 1446814 1136668 1334462 1289383 838564 1387034 1306285 1480823 1322173 1303121 1314111 1667628 1331665 1395900 1468210 1222748 1340708 1383349 1440974 1515853 1365890 589176 1079511 1204522 1200245 Phenylalanine M+0 5470175 6796366 7251598 9263869 5892606 36020068 26949414 28214018 26584614 22076530 30247410 44736636 39355924 47905592 46591984 38887952 60183196 64158448 55076212 65685456 51921560 49214264 31762884 44867008 45690804 Phenylalanine M+1 561112 656612 688184 887872 586404 3558207 2677347 2714074 2603278 2157295 2977916 4374226 3897272 4796606 4576519 3655391 5733566 6215274 5358687 6340628 5138344 4884755 3130873 4456461 4449798 Phenylalanine M+2 31139 35125 49251 56840 29193 274346 184551 215307 180205 150651 215452 340553 158090 336338 354761 145121 235832 243526 418442 497291 188232 354488 228759 166446 330539 Quinolinate M+0 745258 894550 915199 873270 617178 1239087 1166075 1243976 1138279 1006098 490839 754723 968581 1033678 875384 662170 636733 561514 603946 753540 515059 454111 340509 426479 509806 Phosphoenolpyruvate M+0 875069 1419509 1504217 1361419 631249 2502160 1983242 2825217 2644174 2467586 847646 1567786 1615103 1237258 2022016 1127384 1036728 1408607 1661229 782177 4327167 4307417 6250756 2865654 1119663 Phosphoenolpyruvate M+1 113631 186364 177954 157180 59188 327134 259949 296030 285682 285782 83224 174477 179710 127727 244613 115233 126938 183028 210013 73954 709705 648498 667657 392445 143865 Phosphoenolpyruvate M+3 430551 729365 774645 801101 326657 1490028 1112103 1766577 1632743 1447758 680938 1190316 1318899 993689 1682089 816508 822370 1184767 1260721 577846 3239278 3545138 5127442 2068295 801060 Uric acid M+0 364229 445745 798583 1192138 960 3971210 4094377 4438363 4123247 2560264 3825926 11068368 12677280 10457905 10062976 8795614 17451628 9998306 11485564 19964322 9987228 9826478 7796300 11148201 12748171 Uric acid M+1 17469 24745 43607 66494 1469.313477 883803 886830 983797 909927 532421 728592 4086967 4834004 3887198 3679117 3187417 6327432 3588592 4142436 7571222 2040343 2452506 1834824 2615710 3302713 Uric acid M+2 84.71863403 847 3060 9475 84.71863403 337643 321871 394598 340026 182014 230324 1900552 2153803 1663804 1617101 1483798 2815158 1575072 1753806 3541610 659087 889957 651408 861958 1193322 Uric acid M+3 680.8538086 680.8538086 680.8538086 680.8538086 680.8538086 91878 100865 108586 108584 58146 67168 666001 809230 622839 622879 498749 1001972 572886 636491 1210784 186503 263994 190686 244686 354921 Dihydroxy-acetone-phosphate M+0 3349587 5459136 9926764 6675572 4558488 2507482 2000560 2729977 2232048 2424505 12059278 4478186 3851010 2993544 5514524 1457991 1265646 1595957 1778243 1641184 1389732 1525902 829085 1286161 450735 Dihydroxy-acetone-phosphate M+1 448862 762814 1333669 798521 553065 313208 290566 313005 243269 301007 1520074 513492 435273 300746 593678 145232 157018 162676 184150 176413 176942 177318 66577 147877 34933 Dihydroxy-acetone-phosphate M+2 379274 656022 1104110 730582 528555 276531 234724 291162 12606 11809 1438899 532843 443830 296507 639765 7950 130024 2134 10118 170323 150131 164484 64270 140855 40 Dihydroxy-acetone-phosphate M+3 1662581 2685033 5056920 3577380 2429579 1486449 1203116 1671232 1465170 1471227 9797085 3761498 3362759 2475866 4842018 1268716 1104955 1362031 1541826 1396602 950322 1156196 636961 953508 322040 sn-Glycerol-3-phosphate M+0 2239725 2751592 3324036 3083778 1798957 8116820 6939846 7842782 6426770 6476456 3431241 8620380 9825719 10127549 11011538 12308015 13125857 9444754 11390122 15506356 8858077 9063701 7002824 9925288 11478631 sn-Glycerol-3-phosphate M+1 253336 344032 398263 340584 188660 942352 872452 963858 695929 742779 272646 1011211 1177092 1206629 1265692 1540684 1706975 1280198 1556322 2057400 1488441 1401999 879000 1459588 1706160 sn-Glycerol-3-phosphate M+2 211673 279092 332484 293267 164921 707600 686981 722320 555627 572135 255689 943856 1121940 1180349 1244642 1532468 1597542 1229498 1484306 1847540 1301089 1365630 812558 1340740 1565668 sn-Glycerol-3-phosphate M+3 711056 945707 1260618 1108409 607927 2860800 2548527 3316652 2474107 2363771 1627055 6076436 7386886 7094250 7786626 8572369 9490752 6545792 8233470 11198494 5042871 6000112 4627686 6313144 7450664 Aconitate M+0 1795146 2047068 1780338 2242719 1494435 2971974 3131680 3316594 3137640 2495252 12308416 2546214 2933277 2234570 2637602 1715536 1834156 2026312 1617144 2106097 1773343 1783456 2706996 1333564 1595089 Arginine M+0 161029 175561 207842 235087 245315 909657 915305 904678 821067 770303 1216090 1622226 1333392 1613222 1439164 2171764 1926885 1887439 1791435 2080206 1406508 1011795 546696 1010457 1266156 Acetyl-aspartate M+0 27530532 29695080 30090088 36217616 18159520 62551752 67742936 72805616 64057584 54715160 20818980 45154968 52942072 54108564 44656680 73180552 71027784 53093880 57853644 75189448 81831720 61325228 59002280 70977840 74902552 Acetyl-aspartate M+1 2415924 2657990 2697645 3122068 1650140 6394816 6803202 7243508 6341220 5545034 2124572 4483004 5366448 5643450 4621598 7678135 7420256 5660632 6352781 7557382 7852543 6359244 5462498 7166174 7717112 Acetyl-aspartate M+2 1343053 1383156 1395176 1668979 821108 4892907 5209426 5685020 4826228 4093859 2813216 4942372 5873206 6358452 5184938 8565057 8567370 6186102 6921378 9622704 5540406 5323014 4403100 5301440 6556454 Acetyl-aspartate M+3 245472 300365 231394 318492 192231 791090 853374 979930 836433 706370 543934 965760 1030812 1085408 872602 1428611 1369113 1035268 1139159 1480880 802744 776681 786404 749598 923484 Acetyl-aspartate M+4 7725 2902 27842 73279 13294 177203 171817 190667 145493 140540 198929 354115 357542 385454 320617 590089 524659 397989 463337 633463 177955 226311 176247 200760 312988 2-Isopropylmalic acid M+0 3004094 3114777 3032585 3043570 3290150 3211702 3259040 3108093 3169299 3161570 3219562 3027286 3074899 3096358 3314308 5243264 2908123 3107191 3077930 2995397 3310892 3168902 3016867 3345989 3234143 Hydroxyphenylpyruvate M+0 2163516 2323855 2236214 2244790 2706268 2355000 2350626 2340350 2192518 2081793 2117771 2250294 2305956 2470764 2307405 2130993 2117722 2291620 2167138 2191975 2545786 2207486 2262822 2114623 2096803 Hydroxyphenylpyruvate M+1 187308 215003 174252 185837 208624 187350 207641 174394 177930 182086 153429 198283 189238 175318 217166 186522 171764 171050 186851 182977 215086 186033 190976 171806 185774 Glucose M+0 484431 592854 635768 688398 549517 457563 512057 765308 509135 643808 1079727 945512 792504 1030884 735058 809450 1311500 862480 1036964 829959 3032518 2958036 4706502 2919948 2875776 Glucose M+1 31971 47760 42353 58229 37230 25787 26787 44633 7752 45590 71598 54394 52182 49676 40197 34941 73749 69923 65411 52475 202526 190945 289289 190502 176528 Glucose M+5 9879 24895 21519 18560 13131 7728 7062 9259 5046 11950 54705 42662 30439 44218 24667 32854 62039 36136 53774 27213 176672 157993 243473 156758 156664 Tyrosine M+0 5125664 5630713 5965575 7013918 4741171 23678502 22289792 23462760 20221404 17842462 25770470 33481046 33188250 33769884 33819760 46289464 41647856 41278192 38167188 48810368 39027388 34144668 25934874 32743708 37817448 Tyrosine M+1 521846 557029 592600 720754 471335 2203020 2244633 2198890 2007978 1755718 2552824 3259223 3237546 3275908 3349966 4662038 4182970 4098088 3791896 4763737 3884420 3364782 2653056 3255576 3725911 4-Hydroxyphenyllactate M+0 346688 388138 492529 541288 339405 413033 416548 511869 438592 381331 789285 748211 714385 621506 815042 736366 829078 577883 523729 956537 639797 587567 552376 607318 775570 4-Pyridoxic acid M+0 5471068 5368037 5192020 5346280 5096470 5281523 5314244 5553517 4894721 5105785 5238615 5330952 5558533 5313410 5622737 5201578 5159615 5210649 4997673 5429665 5397346 2783273 5065158 5324880 4992046 3-Phosphoglycerate M+0 3726333 6624362 6780628 6139992 2751662 12829662 9758964 14954261 12766812 11500130 5325978 9078472 8266084 6464212 11622159 5092550 5450810 6996052 8203520 3795335 21064062 20542328 28852828 13021215 4440349 3-Phosphoglycerate M+1 523343 902401 951840 799764 335754 1845433 1322314 1686830 1653015 1556952 523315 1085178 1018955 725616 1520345 743115 757604 958689 1186714 465657 3374018 3221870 2929944 2087183 779568 3-Phosphoglycerate M+2 447068 777106 752392 702138 346688 1520411 1117835 1565983 1344275 1237617 563994 1018820 1007655 647050 1347124 693926 681414 926704 1112672 453581 3234887 2851482 2797215 1893880 553364 3-Phosphoglycerate M+3 2122796 3599606 4148090 3886314 1758777 8030132 5519692 10026654 8087434 7011125 4159495 7517064 7258854 5610846 9849576 4434166 4910330 5980083 7215336 3326206 15673956 15857455 23716578 10497556 3590770 N-Acetyl-glutamine M+0 355009 375896 372168 412773 259476 532903 458144 573548 495218 436168 561587 738944 711523 773793 730812 648539 562517 463802 506637 860186 430807 407720 338484 383981 483694 N-Acetyl-glutamine M+7 111054 108517 114648 108668 102366 107487 74369 98052 99221 127826 130470 100345 85165 92320 98758 244183 287223 122035 132476 106137 129291 120813 97697 111519 119707 Acetyllysine M+0 192172 163918 160723 178558 68781 473348 381418 455976 497579 377674 676876 1308195 1081681 895637 962054 874074 894019 804939 889979 919099 251111 207374 227223 285505 240358 Citrate/isocitrate M+0 22724576 24829184 20076186 25403926 15823798 61417280 54516772 75294344 68824896 50175568 165107168 47381012 42652644 46725136 56355384 24762522 22565060 42695212 25713956 30919886 29085512 28110716 32892472 25036018 24680618 Citrate/isocitrate M+1 1767353 1967350 1650813 2262297 1233094 5809376 5528548 7763186 7080522 4790384 20347386 5176565 4297690 4921839 6097196 2762446 2374514 3804486 2673588 3618672 2751826 3056971 3714548 2589602 2742133 Citrate/isocitrate M+2 961181 1039031 1059369 1402325 893359 2941841 3802660 3841184 3320906 2387010 27946362 4190811 3020748 3677007 5055775 3820031 2136904 2086075 2446388 3774106 2363480 3046597 2726171 2935446 3333439 Citrate/isocitrate M+3 53810 53636 38199 147210 5524 507526 610304 737899 713986 512588 3260320 752979 619848 687545 943752 588568 385989 375710 304912 628390 334352 487723 353082 347848 493787 Tryptophan M+0 821892 878959 916244 1413702 863093 3131942 3046423 3009150 2476753 2488294 4056595 4928183 4615808 5044711 4831682 7136530 6400653 5481660 5444108 7171358 5084356 4298689 3094508 4109001 4731950 Tryptophan M+1 462586 269961 280912 405406 496173 382866 504482 389253 565958 511641 709852 630557 617649 880840 811179 1044022 848297 840170 855951 1085412 619731 546958 629090 636390 590140 Pantothenate M+0 7517662 4958852 8340844 5549838 7991198 7020713 7809828 7319276 10567287 9840771 4938733 9622303 7966178 9074466 8300174 9142931 9400222 7193776 7666524 9137670 9979451 6825405 7055100 11036491 8225232 Ribulose-5-phosphate M+0 325899 492340 685850 555365 423203 216534 257839 241847 134857 138680 824183 209328 274487 184417 286050 137115 185908 94245 133512 205966 137837 150523 276698 127500 73290 Ribulose-5-phosphate M+1 96140 135265 183890 155017 124593 82825 104365 83033 54356 54026 270445 48801 67930 48530 75193 39354 60311 36688 42999 44995 53851 42585 82013 41528 15104 Ribulose-5-phosphate M+2 146847 196353 279719 235634 185949 143456 145155 138206 81208 98996 651784 192751 214961 149686 226151 84421 142373 68571 102620 149110 86910 109431 141593 62201 47257 Ribulose-5-phosphate M+3 123627 143719 238773 207767 173152 110565 126199 115876 62125 73350 650903 169515 230858 144843 259184 73092 125455 63554 81921 128375 68198 85831 123959 59083 44312 Ribulose-5-phosphate M+4 48453 67067 92996 82021 63101 47387 57958 52847 29234 25524 165257 57882 53824 30794 71339 23989 38026 15967 20211 46051 29823 27632 57911 19870 11047 Ribulose-5-phosphate M+5 77226 104992 155460 141830 97035 80871 97994 100848 52404 55236 461217 146081 177834 109689 166263 89518 124541 68041 72577 117652 49315 84081 136266 67135 29790 Val-Asp (VD) M+0 41966 43473 45814 43811 29830 157533 123333 112392 121448 124465 150250 170669 168842 188245 193011 176930 261097 206175 217840 233781 141363 143916 91991 114567 116799 Cytidine M+0 4045187 3451437 4201705 4078271 3182220 7114340 8551496 9139545 7684785 7975248 7319515 9931002 11829161 11538572 11074365 17808270 17501920 14466772 14620308 19105330 14427750 14324401 11181051 13677335 16377713 Cytidine M+1 267268 258309 300178 291543 213438 524366 587580 619906 537848 568372 526315 728240 851516 873866 806957 1292302 1194559 1045187 1109004 1273968 1060825 996601 769008 1021372 1139026 Fructose-6-phosphate M+0 1404761 1361629 1655022 2002238 1461735 1002576 568478 971278 596274 559818 3184745 851292 958788 966252 1010570 576890 659824 591074 673538 907999 791110 1066236 1502288 528896 357719 Fructose-6-phosphate M+1 569783 562281 646891 794938 636661 749425 362979 599501 429655 362674 1672639 406528 398486 471867 454950 310353 300188 327126 362486 395296 598751 660470 759550 317761 231632 Fructose-6-phosphate M+2 565921 498169 630190 795157 645249 764664 367991 667563 445391 413773 1663559 573746 512251 532700 513096 356039 319342 435009 480866 535017 615960 741319 904519 355415 245083 Fructose-6-phosphate M+3 805425 747226 982948 1290975 952991 901369 471211 802202 519063 436919 3609508 734967 772748 776217 851152 504013 528141 541402 608370 681818 801782 1041481 1183566 404237 285903 Fructose-6-phosphate M+4 307372 293496 383299 515762 374165 515890 258668 462783 314267 278105 1454916 469680 459463 445286 428192 312954 278008 351256 436168 436332 440004 621529 762686 283719 202796 Fructose-6-phosphate M+5 210084 194591 240830 348620 240638 340418 168159 313829 238228 191066 1116881 296133 281509 298847 334040 205264 188356 242617 262776 312707 328504 410481 542444 193883 153689 Fructose-6-phosphate M+6 356599 306487 371483 600654 368206 367661 192879 391721 279436 208461 1819441 601628 732655 598271 641819 307423 409321 389728 412727 699226 405383 605209 956569 269008 178060 Glucose-1/6-phosphate M+0 4336369 4451632 4981188 5606084 4283736 3028449 1627955 2673348 2068629 1918878 7969999 2573856 2881276 2786417 2897248 1408611 2110298 1755210 1759091 2701210 2496485 3528366 4569480 1439047 1146265 Glucose-1/6-phosphate M+1 1668544 1765732 1835544 2203739 1730644 1402185 643592 1117003 1052444 1000390 4110787 1059970 944054 1033083 973553 694329 760229 869085 947099 976215 1484092 1629470 1520946 791802 658341 Glucose-1/6-phosphate M+2 1546786 1652320 1709932 2059310 1613328 1427074 623107 1137781 1158542 1034796 4185265 1304859 1171310 1206682 1090258 786423 808007 1074970 1168990 1140114 1570336 1753742 1547584 848681 734124 Glucose-1/6-phosphate M+3 2421386 2509983 2840460 3516140 2710654 2267262 995959 1815778 1532197 1412988 9471371 1839263 1773932 1923302 1907083 1037460 1326717 1384570 1443371 1692405 2168794 3039596 3380935 1063555 843693 Glucose-1/6-phosphate M+4 905762 943417 1079800 1402557 1007297 1020397 416393 837978 857676 755453 3683053 1173237 1076645 1064420 1000950 682962 777576 958854 1006622 1058513 1241212 1450550 1384518 669808 647914 Glucose-1/6-phosphate M+5 610522 637059 704689 930833 703270 735509 320131 613914 576840 501783 2884624 777772 748889 745489 686185 492861 549860 671647 695590 717486 880937 1118330 1067731 462733 402732 Glucose-1/6-phosphate M+6 1048914 1061573 1240152 1904546 1179062 1227831 666465 1171702 966972 756739 5121298 1652106 2033858 1866386 2064165 946121 1441411 1129678 1161891 1857639 1318602 2322254 3267766 775052 609264 2,3-Diphosphoglyceric acid M+0 1918683 2432921 2212601 2209862 2391053 2291240 2299553 2199695 2252873 2160458 1841739 2360733 2182138 2462456 2409329 2559713 2169674 2401614 2438915 2521125 2232943 2589528 1945791 2084067 2618930 2,3-Diphosphoglyceric acid M+1 8803 19855 489.1071777 23787 11065 15110 12054 11871 4891 14117 13535 32123 6227 6495 54751 7132 32183 7588 37233 8020 28013 34218 14403 28024 39118 6-Phospho-D-gluconate M+0 340162 438550 469651 398754 270846 479265 313531 346651 296900 337731 547028 30231 20069 41738 25171 15780 8909 5395 6722 27299 237280 366380 358267 110425 29745 6-Phospho-D-gluconate M+1 121992 140096 146394 112959 71569 179086 122662 103917 90837 115418 213309 265.4545166 265.4545166 265.4545166 2655 265.4545166 265.4545166 2733 265.4545166 265.4545166 100681 109723 106908 21324 6205 6-Phospho-D-gluconate M+2 101664 115541 117701 102203 86700 183730 97512 89931 72127 111170 212631 2427 242.6914063 5771 3488 242.6914063 242.6914063 242.6914063 242.6914063 2704 92010 128210 98771 30749 3115 6-Phospho-D-gluconate M+3 180005 245279 252102 227702 162324 347244 191263 212675 176896 236458 529737 6544 2374 7170 6935 9109 3536 2372 237.1982178 13051 219651 281812 264155 40822 13890 6-Phospho-D-gluconate M+4 106808 75279 76643 74617 120848 128801 135895 130785 123671 120402 173914 61404 69018 74216 43619 52896 78225 41924 42570 79175 68697 84566 73095 64012 71488 6-Phospho-D-gluconate M+5 36537 51640 43872 62167 45199 100494 50472 44722 55588 47159 154769 292.9135498 292.9135498 292.9135498 292.9135498 292.9135498 2929 292.9135498 292.9135498 292.9135498 64645 86635 77104 13981 11655 6-Phospho-D-gluconate M+6 108598 117405 144254 196936 83848 189465 152845 186036 167570 152821 409572 9078 282.3496826 25022 6750 3189 2875 282.3496826 282.3496826 18583 137213 262262 278767 66694 18166 Chlorpropamide M+0 257191568 260184736 245382784 268719040 183077488 271329696 273569568 264726544 243073088 241829584 264907760 241781920 248100288 239329888 249126864 234571536 255292432 232310992 239908448 260657232 218920272 232236816 256906592 232255616 199371680 D-Sedoheptulose-1/7-phosphate M+0 219926 264648 258416 390129 281717 459214 351666 529267 279453 262595 560813 381365 439139 436438 434831 356264 547750 238896 359666 651798 456776 495735 657232 323031 267071 D-Sedoheptulose-1/7-phosphate M+1 137244 135145 144400 210383 159741 326994 264496 337875 197503 194917 352635 181088 235677 234012 225867 208789 328741 154505 214624 325843 367601 394718 406862 225810 167290 D-Sedoheptulose-1/7-phosphate M+2 207644 208850 233489 358565 267213 625909 470634 641716 385164 339483 715996 592910 685426 662149 676550 580023 800192 434353 540070 931864 679486 748466 834823 457427 367075 D-Sedoheptulose-1/7-phosphate M+3 165618 157372 192027 282474 216789 458318 338894 479391 273282 250720 660877 430347 469656 469462 480457 410982 549283 317195 370638 649651 492167 552346 664954 338853 276425 D-Sedoheptulose-1/7-phosphate M+4 104614 105961 128069 198691 129202 364287 268086 392965 238216 201180 517594 341132 395114 398217 361702 355354 475691 286875 324274 570529 400028 490656 602483 283289 231670 D-Sedoheptulose-1/7-phosphate M+5 87215 88011 108172 180851 115266 357534 272290 377523 258619 218733 542509 434618 495593 473094 501322 445844 603364 324127 419769 746572 443924 525595 637352 318108 265749 D-Sedoheptulose-1/7-phosphate M+6 30915 29449 36025 49417 36623 139808 105377 144417 87464 73149 191765 97340 163793 133103 132246 143591 184152 82874 112165 199006 160648 190726 239311 99639 77666 D-Sedoheptulose-1/7-phosphate M+7 20927 20110 24047 50623 25047 114981 85207 129568 84331 61162 197285 172045 225646 190382 200769 168583 227340 130239 160961 294414 144695 212187 300077 100407 90194 N-Acetyl-glucosamine-1/6-phosphate M+0 200403 168360 229736 208415 136708 285692 293396 302156 271106 258004 353236 354615 393859 363844 428835 438747 508448 335354 319171 554832 375962 304727 224021 291179 350519 N-Acetyl-glucosamine-1/6-phosphate M+6 38319 47196 43723 64013 25054 101552 96570 111436 105156 88740 104499 147067 152689 152209 177798 186050 230555 139710 140263 254539 127014 119593 84905 103522 143814 dCMP M+0 143480 197098 149260 188901 155253 291459 282900 338713 409043 292101 1071079 583181 497516 456979 525125 734881 547299 554733 684648 781813 451175 386352 244332 499490 707203 Glutathione M+0 5638053 26642614 50495008 60459152 30154054 67561128 75515360 75625672 66206556 56439704 59800712 58542000 74346968 73445248 71254136 86628232 94887160 68588216 72204560 104155904 72492648 65863216 66615504 74086216 87162296 Glutathione M+1 760064 3700967 6980594 8397370 4289182 10884347 11661311 12107223 10027120 8588253 9032456 9576397 11498070 11871540 11559866 14478194 15514697 11349293 11770417 17196152 11315287 10577843 10632656 11628574 14194703 Glutathione M+2 529632 2321832 4650548 5502393 2831408 11252542 11928669 12618601 10554538 8715820 11584796 14308835 17300264 17808602 17744818 20592308 21633506 15692131 16623128 25372136 11023161 11902049 11002760 12010291 15910842 Glutathione M+3 45095 239015 498612 580204 293282 1438068 1537211 1570440 1331622 1076267 1840458 2052155 2468333 2574509 2494269 3068390 3188314 2381490 2558786 3788999 1506849 1755557 1503863 1699360 2332984 Glutathione M+4 6812 56367 117843 152423 68659 470105 516560 491753 431170 328299 862778 978549 1167112 1190791 1194243 1554602 1550885 1146034 1228920 1963530 550349 698253 599530 687064 948778 Glutathione M+5 140.4826294 140.4826294 12489 3935 1405 67209 62917 59185 55164 42613 139807 156029 193341 177685 193788 240353 224813 185508 188960 323021 67385 96058 80535 74194 114573 dTMP M+0 124361 106171 56653 159732 35665 279970 435213 471632 817189 631181 1548874 4166106 2694534 4050762 3223420 9287957 4158822 4944826 6257158 4149960 2144071 1286695 460159 2772549 2970518 dTMP M+1 411.8712402 411.8712402 5604 411.8712402 411.8712402 5000 51487 30165 130256 83642 173555 667326 482047 633269 574741 1845378 766162 890658 1093729 711122 276791 176461 20720 395245 458458 dTMP M+2 375.1805664 375.1805664 375.1805664 375.1805664 375.1805664 375.1805664 4099 4559 9852 6746 9541 277083 192430 298936 230825 790151 335163 388211 477498 319420 58880 48651 11887 86311 146355 dTMP M+3 421.4986328 421.4986328 421.4986328 421.4986328 421.4986328 421.4986328 4343 7431 24907 10917 4215 320883 223388 330298 227710 832725 358739 416318 491142 374648 46276 25463 4966 84341 125360 dTMP M+5 420.4214844 420.4214844 420.4214844 420.4214844 420.4214844 420.4214844 5053 5062 8891 9547 4204 297240 233595 330873 286577 950746 384042 434303 503955 381177 68353 66987 420.4214844 119524 155418 CMP M+0 2000920 2472218 2742072 3155982 1538333 3708304 3667850 3715873 3355569 2866924 3970444 2684576 3025931 2736246 2918128 3124825 3429748 2807706 2819790 4021769 3320494 2953961 3328366 3028349 3061391 CMP M+1 255468 307273 328511 402384 201938 821248 867332 847335 812860 666673 487587 564845 684193 624610 647792 808871 815682 703103 713472 948507 707645 731454 732362 737814 746595 CMP M+2 130170 149491 149208 194114 93034 832472 852754 852494 794589 665328 251629 778496 942375 880692 951372 1147125 1124299 975515 970836 1390125 711999 854143 906261 810523 922747 CMP M+3 107967 123421 130425 161308 76796 762403 781588 784888 724142 597484 231465 767474 906919 861292 936420 1104840 1150647 957772 948464 1433870 648001 801132 889565 746724 902286 CMP M+4 64739 72605 82660 105809 39708 471754 455608 515689 450998 346588 134579 376041 473591 446643 426942 556543 542173 466685 496714 660537 392601 449337 442132 416014 494191 CMP M+5 150832 158251 205506 234767 108115 980398 943425 1031571 894468 702792 260450 1008800 1139173 1033621 1149082 1391311 1380753 1133328 1174048 1718865 861155 1085808 1149445 965285 1232319 UMP M+0 7903504 7973316 9442077 10681389 6009418 11986145 12089520 13016498 12438127 10128914 8523519 8573383 10947386 10132018 11026286 14182272 13971326 11494923 11820584 15444940 14846732 12699494 13819626 13521976 14155816 UMP M+1 1477667 1502886 1808867 2029934 1122080 4081171 4288866 4580354 4301798 3405720 2425250 2515617 3306688 3084890 3273083 4829958 4633106 3934959 3827218 4963831 4526178 4087012 4410200 4385685 4669246 UMP M+2 1155066 1118580 1400578 1647084 818292 4990850 4965592 5464190 4903890 3917737 3188332 4307643 5139692 4773567 5065958 7136416 7138896 5571399 5671460 8134083 5161356 5411108 5973394 5370891 6118540 UMP M+3 1017866 973443 1131384 1357938 714929 4485802 4483550 4993700 4577472 3500410 3169486 4142418 5209798 4902460 5270488 7243236 6811942 5623141 5656476 7644396 4992702 5280416 5421416 5010652 5966686 UMP M+4 625392 563389 691578 804149 423375 2737914 2767019 3153653 2810082 2271543 1775579 2012983 2588636 2431009 2645608 3836504 3537699 3040394 2944521 3766856 3009920 3042484 3093151 3037622 3401851 UMP M+5 1097096 1119458 1369352 1655336 838134 5009848 4898000 5468024 4908990 3871842 3122587 4674469 5562372 5241497 5670074 7746153 7860204 6082296 6228055 9129926 5504793 6015766 6773968 5536813 6900218 UMP M+6 94899 79399 98291 129898 61828 489880 473974 546416 457851 350759 411191 567704 675555 653545 699684 1111644 1047744 814548 834924 1259767 676974 812218 872217 726022 933266 UMP M+7 10448 3782 18393 26193 4867 110115 108285 117514 89469 88388 132852 197748 216652 188559 220470 362754 333695 253056 287572 440886 176308 237916 249661 194754 259567 Cyclic-AMP M+0 29413 32266 37913 89722 10314 232277 177130 284412 387435 262159 104683 452195 384105 701380 747868 1005805 431595 664424 702669 725854 425578 543479 176537 541186 589851 dAMP M+0 90003 25475 52087 68502 36986 178304 322632 321578 571864 375450 1160539 3327003 2213893 3245761 2790964 8493494 3576252 4497270 5511974 3481051 1750862 1018012 297969 2454722 2717088 dAMP M+1 3545 354.5079346 5340 354.5079346 354.5079346 4144 39491 42852 79988 55931 161329 546849 363752 545207 506204 1580242 656223 784052 977398 587233 277206 131243 54304 387148 441423 dAMP M+2 339.682959 339.682959 339.682959 339.682959 339.682959 4383 16063 8613 43698 18299 55046 340220 246681 318335 318029 1052024 441572 525600 631788 406021 126544 91790 4521 203043 277340 dAMP M+3 332.980127 332.980127 3602 4127 332.980127 332.980127 5734 4436 20375 33169 48746 402522 227633 397728 307683 1128406 435048 511195 696200 453124 130397 101262 20232 211067 222265 dAMP M+4 393.4389893 393.4389893 393.4389893 393.4389893 393.4389893 8539 393.4389893 393.4389893 15752 393.4389893 10006 228026 152006 220639 187287 650960 292220 362909 442425 279318 91074 46748 393.4389893 158029 158265 dAMP M+5 317.4376953 3174 317.4376953 317.4376953 317.4376953 317.4376953 10320 16695 41281 15449 68705 385016 263382 411931 373180 1132864 536876 619718 762383 488127 173517 84304 28969 235646 305465 dAMP M+6 321.2616455 321.2616455 321.2616455 321.2616455 321.2616455 321.2616455 321.2616455 321.2616455 3213 321.2616455 3658 159581 82351 141282 102040 394178 149575 233385 270468 160621 321.2616455 8102 8937 31937 61352 AMP M+0 21097576 22893222 29334906 37118460 19500570 30675662 28078900 33708932 29998230 23685954 29777206 22853724 26489768 24888750 25279730 28321056 26031896 22642638 23337780 29693066 26314028 26101930 30295708 30499474 23917930 AMP M+1 6053154 6337954 7851128 9944112 5364102 13088277 12232421 14230333 12937516 10279549 8151982 8827696 11748937 10207344 10692808 12031729 11180919 10105340 10103954 12386628 10320541 11134121 11963241 11944848 9782895 AMP M+2 5222124 5532847 7209086 9234577 4797678 14295459 12506718 15700805 13777903 10601832 9226468 10705388 13406709 12201911 12703651 13315441 12520848 11423508 11467329 14570608 11049818 12233867 13205715 12846517 10509179 AMP M+3 4308982 4528251 5752359 7435546 3773292 12798511 11903468 13771136 12780140 9845402 9809393 10871041 14769330 12473242 13409934 13775925 13382087 11972222 11752099 15046701 10152913 11717505 12547696 11932921 10233406 AMP M+4 2882158 3028740 3824978 5043358 2616772 9351354 8189615 10407164 8962775 7018222 5444032 7718745 9668312 8476833 8912896 9409090 9085606 8081466 8128176 10525369 7074074 7894793 8534247 8018882 6717000 AMP M+5 4947616 5091494 6658833 8394902 4396392 13638123 11708225 14390616 12904991 10083508 9493837 11380166 14381550 12793178 13497414 14084914 13308466 11869062 11949396 15796136 10951617 12689802 13405038 12545728 10939624 AMP M+6 305317 294805 381846 523499 258290 3831004 3455262 4010812 3553940 2669542 2262602 4779618 5983808 5034510 5405417 5467543 5512613 4754989 4615579 6616770 2600125 3702082 4159040 3457147 3220536 AMP M+7 49988 56781 64138 71354 50483 1387410 1133117 1442307 1249017 914008 691227 1896525 2351108 2012586 2150031 2069898 2076998 1791868 1772268 2637830 819089 1216286 1330040 1100288 1077046 AMP M+8 3466 2343 231.8412109 231.8412109 231.8412109 368531 304514 406151 336874 253673 184724 581709 745635 642374 718508 631210 644695 516129 544988 805726 202556 310120 335971 263294 272109 IMP M+0 13908672 14216716 15481818 12153772 9418185 10625211 16533289 11356665 9588232 9524668 13522088 11000504 10673781 12615591 11920943 18203494 18650064 11249036 12258371 17757010 13181271 8487849 4365700 14368733 18795232 IMP M+1 3789397 3897583 4275370 3327075 2498680 4810429 7348542 5329204 4315998 4192023 4152723 5334202 5180034 6176198 5766344 9338054 9562864 5669354 6009769 8809944 5489836 3778028 1892556 6150576 8187084 IMP M+2 3372878 3383382 3719964 3028404 2148004 4924630 8057776 5469031 4545761 4472880 5220698 6249488 6430710 7326452 7023436 11000645 11869881 6771930 7125462 10807538 5932209 4197342 2221005 6507568 9190454 IMP M+3 2809794 2796570 3085309 2543712 1877164 4740916 7371463 5132126 4253844 4148823 5310442 7008326 6802978 7928340 7633472 11528994 11835163 7052824 7544898 11086051 5526482 4097520 2098983 6255586 9007843 IMP M+4 1867410 1824554 1997414 1587471 1219588 3317329 5214738 3666732 3047661 2960200 3117269 4518888 4623090 5352482 5004292 8060220 8424111 4956861 5218704 7646330 3767432 2756377 1450917 4187670 5968724 IMP M+5 3250716 3289549 3604828 2896259 2110335 4776338 7011664 5252162 4219076 4129202 4973258 6907466 6601031 7919404 7393722 11411435 12082160 6954870 7499472 11504477 5894574 4328432 2174330 6484571 9478427 IMP M+6 203866 195190 227733 171468 125543 1402526 2142194 1544398 1268491 1196887 1267901 2997486 2841334 3258427 3126441 4837046 4968132 2890680 3104194 4789277 1467140 1344266 680104 1849408 2979226 IMP M+7 31016 31820 43018 23559 8629 484682 754784 534058 426960 390671 373621 1221021 1121824 1256086 1283961 1856213 1943310 1056657 1185082 1921840 451992 439331 205735 584933 995938 IMP M+8 3364 1361 136.0826538 1585 3009 120805 200031 139297 119778 121021 106427 371765 356697 404236 405327 569999 584938 330202 375096 570355 111577 118157 56131 141495 254698 GMP M+0 5501542 5576202 6514560 7340048 4127058 7670412 6981710 7840212 7117401 5870543 7693592 6135215 7357636 6935850 7436600 7650174 7755224 6028502 6224096 8886494 7407406 6717070 6145746 6933226 7010344 GMP M+1 1254221 1300071 1540848 1703792 902502 3076781 3047737 3292530 2733798 2326122 2046612 2368058 2903690 2752358 2844056 3244513 3462780 2516081 2579551 3870130 2651108 2553664 2474161 2597074 2644122 GMP M+2 1106655 1046553 1249697 1413832 771983 3054558 3145574 3302566 2979385 2519302 2270778 2701470 3529011 3228245 3363894 3913984 3845682 3045326 3127495 4203788 2980472 2882680 2602010 2876216 3025456 GMP M+3 897583 896960 1103484 1267080 670365 3073209 2872319 3173965 2782203 2269988 2206494 2976648 3616652 3501890 3577576 4031681 4038220 3167738 3171362 4750437 2756246 2800579 2468360 2698668 3000908 GMP M+4 537834 548852 661710 784723 364820 2144674 2149676 2283625 1983474 1630090 1398341 1939715 2453294 2244315 2415379 2806933 2831203 2148120 2166801 3201708 1864007 1819845 1764817 1800226 1966406 GMP M+5 1099613 1020290 1250465 1424198 752894 3056781 2875427 3173968 2800048 2361038 2192490 2952932 3769636 3494845 3639225 4136446 4011256 3142452 3247915 4539888 2926502 2939613 2623622 2767549 3165264 GMP M+6 68877 46677 71448 96966 46665 947481 895108 1014670 860046 687838 560926 1305171 1519404 1450525 1491665 1723143 1714538 1269389 1324539 2065780 818191 936937 852205 840669 1020476 GMP M+7 316.4954346 3165 9592 10527 7974 350034 342773 365088 301773 237226 176046 505138 603040 545462 586768 655962 665825 492049 522624 788023 252148 318937 282004 249758 359865 GMP M+8 217.0108887 217.0108887 217.0108887 217.0108887 217.0108887 102081 91355 95370 81986 62167 36511 166247 207526 182661 179704 200451 201347 132900 142044 242377 58910 81274 65445 58728 105444 Xanthosine-5-phosphate M+0 34676 15730 32530 26822 12160 346544 584927 395888 246105 247064 40463 227848 250150 225867 233618 800690 801458 537532 561355 739881 1045030 628184 326210 588198 812853 Xanthosine-5-phosphate M+1 3712 276.2144043 3026 3335 4043 125799 257745 179652 81319 103500 276.2144043 73546 115993 117264 133165 364011 392180 249438 223182 349976 415537 301848 122001 257847 307995 Xanthosine-5-phosphate M+2 342.5016846 342.5016846 342.5016846 4375 342.5016846 159722 261222 193523 108351 118423 21384 88832 126384 135619 144731 430059 523497 355026 308175 426456 390277 309385 140531 265815 415464 Xanthosine-5-phosphate M+3 285.5418457 285.5418457 2855 285.5418457 285.5418457 135631 301113 182333 87701 119025 12513 111217 171427 208129 148612 491100 514766 359672 313801 466336 382512 299596 137514 242810 373260 Xanthosine-5-phosphate M+4 363.2617676 363.2617676 363.2617676 363.2617676 363.2617676 103892 174372 104939 82392 59424 363.2617676 61960 92451 122063 91149 328781 343588 249536 212189 331546 297635 217158 109245 164568 255688 Xanthosine-5-phosphate M+5 370.8343262 370.8343262 4436 6322 370.8343262 151924 265297 160507 97931 116004 370.8343262 115622 157357 161789 135540 499453 506757 345620 322306 428825 438546 327924 146457 274867 410031 Xanthosine-5-phosphate M+6 1255.881152 1255.881152 1255.881152 1255.881152 1255.881152 31986 74874 59477 25325 12559 1255.881152 28160 43165 68700 59226 193349 192484 150683 116828 173158 109781 107720 36300 64083 102980 5-Phosphoribosyl-1-pyrophosphate M+0 172540 396548 374524 409586 142963 261427 471346 425945 300820 252501 576721 1155838 1728079 1079066 1263077 1307470 1255527 569874 652146 1592024 431818 418849 361217 646228 679244 5-Phosphoribosyl-1-pyrophosphate M+1 76128 164319 125530 138604 51299 107547 185605 162138 106509 107625 192377 353023 520343 365350 372181 468303 427933 192634 213110 492980 178842 133167 133154 249169 230532 5-Phosphoribosyl-1-pyrophosphate M+2 116699 204750 188674 193132 60581 141742 288749 260493 175648 152344 464633 842567 1285288 837629 909724 977092 862782 411284 445342 1062104 262222 268048 271107 402604 413572 5-Phosphoribosyl-1-pyrophosphate M+3 85280 155155 171507 173359 57588 128993 227796 209751 160138 128737 455551 841932 1244793 782604 888638 901764 829629 379075 435203 1041392 247077 220939 212905 360359 367851 5-Phosphoribosyl-1-pyrophosphate M+4 27966 63493 45848 56061 17674 45293 115102 92649 67190 59813 148758 275931 442287 259231 286057 353656 309405 163380 177291 380989 114305 109634 90846 173721 176115 5-Phosphoribosyl-1-pyrophosphate M+5 59797 91672 106121 114482 34772 102785 188672 158663 127001 101205 348560 718140 1110688 717905 785887 866608 784815 386903 434156 1074673 214787 232237 206922 331456 378197 CDP M+0 205528 327870 291105 353082 157467 303793 444907 400503 347920 321269 252591 754695 1118619 894454 965897 936575 905089 598632 690277 1150196 449305 521760 387282 554393 516896 CDP M+1 23379 28327 28917 34435 1976.533008 75894 86249 95437 73183 68663 21139 183336 235173 190156 196735 214808 202573 122238 148015 283765 93007 114144 94873 147771 120712 CDP M+2 2873 11030 7818 4958 287.3269531 78259 102883 119362 80559 67722 3523 248836 335878 297275 281662 300580 282474 207437 192345 410631 90158 141102 89437 131108 163827 CDP M+3 3775 13615 6760 4993 3351 51580 93544 89617 75303 62675 5899 242277 316647 255526 296546 308964 274493 188745 196168 382785 91211 126694 74612 144772 151752 CDP M+4 311.5006836 311.5006836 3115 311.5006836 311.5006836 32455 52544 49362 43255 37226 311.5006836 94158 164728 121721 126796 150716 145100 85598 96437 203862 53839 65352 38951 73107 85676 CDP M+5 11943 14805 14179 18733 249.1580322 58381 120994 109422 110355 73040 8981 262232 413787 345675 389666 417608 337773 253233 245464 472951 134349 161271 115977 189941 209699 UDP M+0 590139 770462 749703 869044 417003 698144 1023111 1009234 930333 639231 401142 1619284 2535455 2219269 2227128 2716864 2737076 1699124 1892996 3000743 1347454 1410696 935065 1274479 1602390 UDP M+1 82277 106351 119998 158558 67425 239923 312178 380571 331190 181728 84464 446811 738030 699504 631013 860924 875341 529808 552624 912421 397512 432598 229671 388506 556658 UDP M+2 53167 99466 77301 118392 48386 283512 392521 423387 341484 199336 142687 739088 1209997 1088124 970473 1317790 1357986 761721 837852 1549369 457963 549196 389745 495658 663284 UDP M+3 37140 50470 54457 82220 19722 234077 331858 415506 343219 186349 150955 750232 1071726 1119254 1040398 1330189 1235792 716688 825394 1498936 399766 542988 321906 433130 609078 UDP M+4 21273 38013 33358 65113 1153.629004 162381 200518 239046 190939 108521 41177 363266 597121 532932 562926 716140 647086 390936 462900 736503 270199 304932 179219 240209 333866 UDP M+5 30982 80950 69227 132739 29510 275707 351505 440380 358941 206352 117353 917949 1332591 1203702 1133443 1377949 1379450 846474 937352 1730849 500368 623644 420851 517220 779475 UDP M+6 588.4003418 588.4003418 588.4003418 588.4003418 588.4003418 5884 17203 28707 6284 588.4003418 17162 97533 115608 144574 117847 179368 195714 76482 100546 181934 52653 50462 13977 44791 87537 Cholic acid M+0 3395294 3414368 3553480 3381248 3644206 3742095 3404982 3646528 3126372 3307585 3683647 3466332 3701101 3462620 3540498 3229751 3530020 3242998 3212216 3555001 3528260 2961453 3430668 3395880 3070490 Cholic acid M+1 189820 202436 203113 233381 224989 252888 275395 236466 187569 227400 288054 191228 261783 211052 299273 243989 258886 286860 276565 323042 207047 188872 285668 265847 214858 ADP M+0 2996046 3853144 3701327 4283176 2089024 3208607 3541910 4172370 3261022 2946067 2121616 5983858 8219386 7229690 6736174 6337050 6008734 4399082 4709488 8706063 4027747 4368731 3065668 4417845 4069495 ADP M+1 747432 891288 938143 972847 488038 1250110 1663996 1618450 1376692 1151758 596556 2469273 3602932 2847317 2669730 2920968 2925797 2003317 2050725 3759768 1342995 1652642 1372354 1661202 1586672 ADP M+2 653414 762024 811625 870621 443836 1307394 1743331 1790992 1430518 1191942 723072 2945654 4443289 3635715 3302920 3239526 3440406 2312190 2453486 4636480 1504587 1816921 1481455 1877877 1748292 ADP M+3 500567 641404 674458 792806 333129 1213902 1601394 1598753 1273934 1133172 734525 3189104 4884393 3742072 3439018 3471125 3496331 2356560 2500436 4811154 1379666 1753400 1329748 1765542 1693338 ADP M+4 314655 396888 404948 537191 203754 846436 1075453 1113930 942793 754681 417228 2165883 3155098 2602847 2469525 2397577 2342826 1679372 1731694 3100891 964689 1231768 896896 1146904 1140595 ADP M+5 556882 757013 745621 850736 362008 1255403 1599052 1506267 1404061 1201255 863216 3224352 4939408 3860353 3684327 3587307 3433610 2427655 2717052 4692120 1571091 1951977 1394538 1753362 1908166 ADP M+6 12034 23248 32109 34957 13684 357045 371521 451415 341135 286993 159526 1313242 1935365 1532186 1498453 1447072 1301594 971840 961051 1879526 312008 541649 414583 492598 589286 ADP M+7 382.3404785 3823 382.3404785 382.3404785 382.3404785 119707 150113 136156 109693 93638 32246 493741 758734 610494 571530 547402 525581 350019 375837 779857 105189 174516 155355 165922 172687 ADP M+8 416.6601563 416.6601563 416.6601563 416.6601563 416.6601563 12503 26521 30626 16053 8205 416.6601563 183256 241797 177584 136694 133778 134052 101969 114828 218306 5231 22031 9174 9455 29131 GDP M+0 568680 707453 649213 900841 368914 468447 640506 662013 595244 418553 508669 826334 1084083 1060739 997823 1154269 1029867 683832 778369 1249293 558217 624947 511308 544699 721048 GDP M+1 119567 128772 146035 191312 61411 158844 297186 275284 219399 140790 124497 281182 412804 364988 410667 504184 418472 270845 326974 501518 191150 206656 160046 228372 309446 GDP M+2 90518 135501 91334 154834 61606 202138 259171 273513 225511 162762 138961 354201 469289 493342 443924 548715 423871 353235 364788 546583 211522 216447 195252 238940 354821 GDP M+3 82402 75037 76944 118876 35526 143293 236615 273782 222916 153632 123530 389361 446853 497988 482644 602467 497926 339523 373877 610221 205711 232927 204894 211335 297441 GDP M+4 33936 38583 57770 85460 5313 85404 175229 171667 140368 80262 41249 253341 315105 346628 272626 343778 342844 235184 231991 373318 103632 160096 111833 130970 169842 GDP M+5 92073 82749 95778 137884 34989 133931 261242 240818 250399 136674 100208 383299 521350 449794 418349 536581 527676 362660 399487 629374 202120 241205 196517 207336 359367 GDP M+6 408.3844238 408.3844238 408.3844238 408.3844238 408.3844238 33930 70728 62867 52580 15399 8365 138855 217316 186977 169588 215314 199252 132950 138728 251232 46371 70184 53025 39556 105058 CDP-ethanolamine M+0 1185052 1140302 1305057 1462709 836408 1453142 1522311 1567027 1143714 970564 2329545 1723068 1922538 1839600 1750260 1291536 2243610 1627378 1643110 2316617 2771934 1292274 1556357 2437232 2504650 CDP-ethanolamine M+1 167583 160331 190552 206739 127771 367014 401725 408736 292718 230064 356377 412797 444864 426005 410635 322900 575167 403988 388309 574159 611885 295899 401987 583612 600439 CDP-ethanolamine M+2 80319 72120 89791 98880 54245 334199 396857 372618 275058 221004 216339 492198 557577 533088 503909 391862 654046 479775 450669 682266 571882 329797 412860 572875 667959 CDP-ethanolamine M+3 51089 48049 57737 72466 37875 304610 320930 338051 242067 166925 148712 461290 514530 514226 478979 360742 598708 423482 412994 646680 483476 288962 353726 502138 585498 CDP-ethanolamine M+4 35396 29252 36726 41207 16524 188530 208902 218257 145723 110973 86956 241064 284449 259299 251451 207381 351750 239238 223858 356425 296131 180378 219266 307210 343031 CDP-ethanolamine M+5 61498 54209 64326 75187 42015 318435 366394 346900 260999 204176 153204 530687 599369 570192 524037 411936 731118 497336 483055 761082 602414 359376 460283 602723 723904 CTP M+0 24592 53710 30148 44189 7696 27794 67911 62787 45894 33367 34914 282093 547198 405418 390882 277741 285222 177274 202150 417544 101786 128241 67136 134699 134237 CTP M+5 482.7810059 482.7810059 482.7810059 482.7810059 482.7810059 482.7810059 6427 4828 482.7810059 482.7810059 482.7810059 93501 188372 176926 137124 118773 118219 73328 61137 150832 29250 24379 21965 32561 33767 UTP M+0 150553 182866 180746 212897 76071 118070 219163 231846 113517 160785 114606 840398 1683963 1289937 1134539 1170022 1134720 645229 765267 1526639 383994 443536 225826 512545 475348 UTP M+1 10278 7934 17983 25065 299.8580811 18036 59170 72716 39835 45896 19851 244092 447417 368706 297826 341261 373397 180409 206613 418592 114457 131785 37332 144675 140450 UTP M+2 4258 20181 16802 12892 3020 26867 73528 69271 50238 48182 28272 412255 789612 580027 549539 622289 537413 354032 346616 764188 162408 199113 87891 219521 224665 UTP M+3 10437 3105 8264 23649 310.4873535 32795 73626 86127 49641 53361 40447 404885 795603 582635 501364 615523 530517 291381 342772 686305 134666 203138 90293 168815 206330 UTP M+4 3202 214.0658691 4027 2141 214.0658691 8607 41372 40345 20031 9294 20157 177305 368529 282564 243018 276530 299759 168919 162017 380401 58704 94693 34052 105663 104447 UTP M+5 16140 18759 10913 23289 565.2020508 34592 76710 88695 52045 39343 39825 422194 844548 649676 576820 677546 590970 345614 386555 819761 169200 238812 94654 196007 231309 ATP M+0 726780 767774 792171 989392 289969 448957 685288 824046 636646 563362 798199 2158138 4504837 3060629 2725554 2056652 2090556 1295697 1478768 3114106 1173086 1226149 710373 1117312 918946 ATP M+1 181628 171178 192177 234384 55019 159132 265837 337502 262164 195474 270609 864276 1914639 1213117 1129892 938852 940591 647027 674174 1297885 439682 486634 255691 420441 382403 ATP M+2 193466 169357 162904 253899 61573 181563 291752 379855 316185 254781 330065 1020153 2328356 1533648 1408639 1119977 1172582 717364 846089 1617343 531050 552290 317283 457868 436449 ATP M+3 170187 147000 135761 219870 46077 148274 252570 326744 268211 186689 309579 1129194 2510761 1594443 1520898 1226966 1189373 717191 840382 1740437 482829 556727 313500 408785 392395 ATP M+4 88010 83791 81239 119506 19533 104677 170543 239817 193602 117285 225095 780632 1613685 1076879 1003167 833002 802208 527240 531882 1195055 334983 357396 203102 242644 276204 ATP M+5 150603 137928 152733 242115 61803 164434 284906 351436 274408 214486 354785 1165186 2547713 1633737 1472394 1144455 1239616 783258 805218 1813318 477071 562894 333461 434811 412824 ATP M+6 20994 6527 3127 7917 312.747998 27475 80150 98759 97850 21998 115382 477503 982052 656428 625184 466284 468100 311896 325288 657695 155627 184273 109124 108019 139993 ATP M+7 232.9734131 232.9734131 232.9734131 2330 232.9734131 5171 12366 29486 21256 3379 37827 183183 392007 254402 223685 184961 193711 106878 114413 259646 46918 62196 15813 22488 22641 GTP M+0 191567 191889 221206 283544 75976 110347 190055 229183 149177 178466 242444 433795 730279 633162 496553 559617 472629 330580 370982 636805 293728 303321 221170 253460 280897 GTP M+1 47501 45918 49830 46232 2899 25374 35708 66832 49336 31385 71968 147321 248307 209046 171530 199722 170614 116552 132400 242902 93794 102711 63793 69251 78071 GTP M+2 23454 15915 24063 55749 2869 11752 57665 97015 57113 34886 81284 190658 317901 271169 220297 250048 212151 131736 148578 273803 114371 108720 71160 93976 101300 GTP M+3 29238 16901 14703 47910 3867 16431 40810 86654 51550 33036 65240 163579 334129 327762 225555 198834 203056 125126 169478 322989 93866 89923 84430 77399 108912 GTP M+4 12493 6572 11042 14078 370.1612793 8954 35375 51490 27811 11075 41226 109649 186784 195965 162972 166955 139834 92088 101175 201410 72504 55321 42050 38691 54984 GTP M+5 32455 26645 26209 42741 2437 21146 48403 85406 57838 29867 63034 194289 289808 275305 220379 232598 192127 144139 165040 306862 106594 117592 80309 87044 94480 UDP-D-glucose M+0 474130 564982 665121 703316 375228 663173 758558 737766 605010 553461 654728 742021 945914 920846 901828 1005816 1078710 662437 741109 1300944 747924 695217 623392 888060 890140 UDP-D-glucose M+1 356848 401818 406734 428059 247579 524961 565001 525446 436682 383123 369029 449362 554907 496978 514002 669465 648159 473084 505849 727758 560539 432230 425297 600157 565748 UDP-D-glucose M+2 435871 418193 447258 483895 282683 653061 700383 635850 629391 533862 483938 651377 829703 752212 793140 984940 991372 708838 733287 1088202 732503 625237 548601 870441 805064 UDP-D-glucose M+3 490867 549802 565491 638350 351586 879994 890020 954407 817336 750516 784294 974274 1213577 1145953 1148968 1442826 1400414 1078734 1061462 1629199 995847 860700 784398 1149344 1085372 UDP-D-glucose M+4 333342 366980 372072 409607 220789 695658 748632 714026 689918 576811 535765 670351 865203 822637 803580 1089581 969799 783524 808765 1035126 758525 646424 581623 922749 859010 UDP-D-glucose M+5 303141 375058 370192 398773 240402 879863 911221 897379 789695 641257 706654 992566 1279713 1214159 1162775 1484261 1544601 1070069 1153159 1809240 949436 865073 873053 1175975 1119269 UDP-D-glucose M+6 332166 386981 413287 415938 236172 843135 1022536 909227 843050 719287 868679 1114644 1490854 1299292 1383880 1647283 1640984 1202295 1196656 1993834 959009 975977 945975 1213605 1278844 UDP-D-glucose M+7 116945 149390 162790 186194 96660 519881 525955 478298 463081 399820 412222 617702 786512 700296 712018 880433 893815 643462 694784 985680 560296 541497 490158 675519 660077 UDP-D-glucose M+8 104740 112664 116894 157554 85802 499280 526047 482147 470192 341894 423143 695335 853970 758818 892365 1043640 1036605 711683 755487 1194560 563024 571638 499058 677575 740044 UDP-D-glucose M+9 50219 48024 48392 65819 41598 313159 350497 293062 264086 237000 231740 468247 600039 513220 571254 698860 692892 480501 521996 818452 333017 370796 336317 462857 488359 UDP-D-glucose M+10 21356 18927 35262 46877 1892.660547 167003 177951 188692 154579 125067 150885 272505 359987 323187 316452 372303 375960 254270 256914 437975 221776 181497 200942 217525 243003 UDP-D-glucose M+11 24228 28390 35405 27409 6399 196641 223023 214345 185379 142754 192432 328572 457709 420882 432688 559497 526708 183305 349280 706500 223820 291197 258427 312828 338289 UDP-D-glucuronate M+0 113112 116684 123779 156017 81340 135983 178397 161924 143584 110078 283787 326614 354322 313673 352309 277843 247569 189473 213039 359562 179856 157447 104231 175465 182603 UDP-D-glucuronate M+1 75385 55463 59382 83131 33805 87385 100680 98896 81683 55569 128391 155913 146520 144827 184334 121395 131586 113967 114163 175007 97769 80014 67071 81887 84759 UDP-D-glucuronate M+2 57049 70694 70933 97076 24007 131613 117924 133806 111447 108000 161967 272054 199897 247482 250182 198737 233490 162815 155823 300263 104599 122390 77408 123279 116709 UDP-D-glucuronate M+3 81475 84161 98740 124687 67034 149710 187384 182971 171393 137164 257454 363097 388937 377879 400878 317615 307885 228995 255016 430581 174296 140418 112948 164592 178879 UDP-D-glucuronate M+4 55225 69440 59746 90742 22125 122526 144224 155326 124983 118181 189675 248465 238351 223574 272846 217486 238885 162979 172853 241410 109164 91975 87252 103729 135240 UDP-D-glucuronate M+5 65462 66454 69072 77304 33192 144624 161574 191615 150310 112042 254204 413477 399359 385729 435118 327081 364558 248736 253196 469548 158448 168239 130817 149550 214275 UDP-D-glucuronate M+6 117236 118806 128782 141895 58402 198911 198235 222315 196677 161579 380060 491728 519722 467446 527818 405817 437024 293920 318627 568624 185649 209088 144149 202281 274330 UDP-D-glucuronate M+7 11963 34801 16458 21837 5434 94044 83554 111759 99562 55436 180584 219102 236272 207807 244765 197228 160868 124201 148409 247472 76178 83492 68514 89205 106924 UDP-D-glucuronate M+8 31198 28699 21047 22776 2104.655664 96798 96264 107169 91035 73213 169597 293748 274976 267924 297342 221951 267814 156542 183823 335243 84496 81654 75278 91338 118544 UDP-D-glucuronate M+9 3365 322.9494629 3229 16916 3821 77097 58931 60484 51762 52858 123818 210172 255790 194829 228683 169222 189312 102397 120492 249141 50269 58091 39988 55986 70945 UDP-D-glucuronate M+10 326.48479 3265 3932 5250 326.48479 19864 30771 23507 29463 19463 71430 84855 112387 84098 142843 93631 104825 55817 68752 104873 24218 31936 22009 35666 49281 UDP-D-glucuronate M+11 304.2527832 304.2527832 304.2527832 3043 304.2527832 47668 43544 46590 45525 30139 94346 194127 202183 140670 225474 146376 153439 120879 106821 216373 25698 57068 40065 29472 78214 UDP-N-acetyl-glucosamine M+0 1292894 1602954 1762562 1988290 1058191 1885330 2085069 1943557 1740442 1520071 1983047 2055698 2517845 2251530 2324723 2081703 2256788 1679539 1725140 2696305 2030385 1525631 1527353 2045655 1911660 UDP-N-acetyl-glucosamine M+1 529788 614186 529178 750779 427970 894569 1105939 946587 927689 774125 822885 769824 1085542 889855 896628 905638 1009894 698156 733383 1161372 867618 656630 738289 959017 854905 UDP-N-acetyl-glucosamine M+2 490958 575162 657509 669037 341139 1128262 1267108 1189857 1024574 897036 1020667 1071409 1492226 1235900 1279883 1312885 1428924 1036639 1071820 1649784 958762 879543 833398 1096877 1143832 UDP-N-acetyl-glucosamine M+3 588831 669841 722628 833869 428527 1319365 1487174 1461598 1266552 1027404 1162967 1379419 1712023 1563620 1567322 1647412 1785842 1256045 1246937 2099011 1203485 1049579 980225 1255883 1307402 UDP-N-acetyl-glucosamine M+4 357854 481320 499759 555969 329722 1046907 1218438 1091218 1013106 785112 841304 911420 1264021 1051153 1110515 1227666 1299448 915131 922497 1396853 849307 806530 756245 1011543 1005524 UDP-N-acetyl-glucosamine M+5 425806 543106 594650 648826 325530 1372459 1394344 1481053 1208983 1064972 1186869 1519206 1776542 1696544 1682675 1847668 1879185 1368047 1371930 2256387 1183719 1073243 1077393 1357127 1482044 UDP-N-acetyl-glucosamine M+6 610059 671926 678639 828271 391460 1242013 1523355 1337807 1174166 1020727 1237602 1444808 1757028 1529283 1569894 1666499 1852618 1290221 1296568 2186982 1155332 1066221 1055973 1284349 1370142 UDP-N-acetyl-glucosamine M+7 193370 236840 256604 299190 76271 697742 815899 735817 666865 557777 622392 659246 958007 822076 838447 978211 1139241 714859 738966 1207249 614647 641050 641782 740311 770438 UDP-N-acetyl-glucosamine M+8 176827 185661 241019 242824 131418 672908 719185 719784 690428 489849 556540 928412 1063607 1006900 950665 1167615 1113563 794147 823641 1388282 662450 660341 643427 750763 817506 UDP-N-acetyl-glucosamine M+9 90458 109106 102932 145884 72110 476855 510840 476490 408196 364958 428884 561099 773221 654842 667141 754909 832160 535340 588623 1002813 415930 420234 411872 479187 502227 UDP-N-acetyl-glucosamine M+10 52276 64588 72494 96379 33281 288309 340164 278506 257385 206440 269292 383040 443504 421032 399630 452159 527987 266383 378788 643180 251805 262209 268355 293405 385489 UDP-N-acetyl-glucosamine M+11 84112 63897 78829 89917 54910 294661 328293 367085 313827 250243 282188 509491 634177 601240 604796 660674 541443 469470 490419 832930 303720 347802 299451 384749 475663 UDP-N-acetyl-glucosamine M+12 2752 4399 9732 3409 215.1640869 43334 47236 56029 39647 20631 58343 99821 127254 99331 108278 146172 129615 95410 92930 180796 49175 76078 67909 81111 99457 UDP-N-acetyl-glucosamine M+13 301.391333 5715 301.391333 3492 301.391333 21713 34502 31687 13774 3014 41778 91669 95531 79691 82371 77033 95670 66577 72960 136100 30503 43365 53653 55859 59691 Glutathione disulfide M+0 2002964 2323922 1568559 1814829 1452642 1989221 1917273 2217985 2340069 1912690 2198524 1569069 1081848 1627780 1438494 2353615 1664368 1485162 1705343 2078831 4015608 3354442 1812242 2923862 3377733 Glutathione disulfide M+1 574313 615205 412278 459592 368278 596373 569374 669692 704854 623778 621167 517191 319932 511646 460431 809721 556128 493812 516302 674162 1300637 1094655 469336 953330 1075383 Glutathione disulfide M+2 400582 452685 279101 373232 278765 637506 635587 708022 730386 601379 893273 747237 518241 693754 683381 1172664 771378 713598 783623 964932 1239063 1289004 462072 1010589 1304582 Glutathione disulfide M+3 86266 82332 80244 78113 61312 175854 153034 201518 187712 152762 285055 216542 164937 207443 186825 277798 257473 194230 245429 322144 327967 386271 142573 220762 381702 Glutathione disulfide M+4 34057 17464 27752 22792 14317 72328 81154 98553 95219 78430 151539 153280 82767 136244 130460 252322 121777 135275 144812 170817 189754 195464 88447 146964 181321 metabolite_name Alignment ID Average Rt(min) Average Mz Isotope tracking weight number Glycine M+0 3 1.22 74.0242 0 Glycine M+2 6 1.22 76.0310 2 Pyruvate M+0 43 9.29 87.0085 0 Pyruvate M+1 87 9.30 88.0118 1 Pyruvate M+3 148 9.29 90.0185 3 Alanine M+0 89 1.25 88.0401 0 Alanine M+1 137 1.25 89.0434 1 Alanine M+2 155 1.25 90.0467 2 Alanine M+3 161 1.25 91.0501 3 Lactate M+0 132 7.59 89.0242 0 Lactate M+1 151 7.59 90.0275 1 Lactate M+2 159 7.59 91.0308 2 Lactate M+3 165 7.59 92.0341 3 Acetoacetate M+0 322 7.24 101.0241 0 2-Oxobutanoate M+0 324 12.35 101.0242 0 2-Oxobutanoate M+1 367 12.35 102.0276 1 4-Aminobutyrate M+0 369 3.62 102.0558 0 4-Aminobutyrate M+2 444 3.62 104.0626 2 Serine M+0 442 1.22 104.0351 0 Serine M+2 478 1.22 106.0419 2 Serine M+3 483 1.22 107.0452 3 Glycerate M+0 471 7.20 105.0191 0 Glycerate M+5 502 7.18 110.0358 5 Uracil M+0 520 2.03 111.0198 0 Uracil M+1 550 2.03 112.0232 1 Uracil M+2 588 2.02 113.0265 2 Proline M+0 626 1.37 114.0558 0 Proline M+1 681 1.37 115.0592 1 Proline M+2 714 1.37 116.0625 2 Fumarate M+0 649 13.23 115.0034 0 Fumarate M+1 700 13.22 116.0068 1 Maleic acid M+0 650 12.52 115.0034 0 2-Keto-isovalerate M+0 671 14.10 115.0399 0 2-Keto-isovalerate M+1 712 14.10 116.0432 1 Valine M+0 716 1.57 116.0715 0 Valine M+1 788 1.57 117.0748 1 Succinate M+0 760 12.23 117.0192 0 Succinate M+1 797 12.23 118.0224 1 Succinate M+2 821 12.21 119.0257 2 Succinate M+3 855 12.21 120.0291 3 Threonine M+0 806 1.27 118.0508 0 Threonine M+1 851 1.27 119.0542 1 Taurine M+0 953 1.25 124.0071 0 Taurine M+1 968 1.25 125.0104 1 Pyroglutamic acid M+0 1080 7.69 128.0351 0 Pyroglutamic acid M+1 1120 7.69 129.0384 1 Pyroglutamic acid M+2 1176 7.68 130.0416 2 Citraconic acid M+0 1111 13.11 129.0191 0 Citraconic acid M+1 1174 13.11 130.0224 1 Citraconic acid M+3 1250 13.10 132.0291 3 Ketoleucine M+0 1133 14.93 129.0556 0 N-Acetyl-L-alanine M+0 1180 8.72 130.0507 0 N-Acetyl-L-alanine M+1 1229 8.70 131.0541 1 N-Acetyl-L-alanine M+2 1263 8.71 132.0574 2 N-Acetyl-L-alanine M+3 1331 8.71 133.0608 3 Isoleucine M+0 1185 2.42 130.0870 0 Isoleucine M+1 1240 2.42 131.0903 1 Leucine M+0 1187 2.62 130.0870 0 Leucine M+1 1241 2.62 131.0903 1 Asparagine M+0 1228 1.22 131.0460 0 Asparagine M+1 1262 1.22 132.0492 1 Hydroxyisocaproic acid M+0 1236 15.05 131.0711 0 Hydroxyisocaproic acid M+1 1269 15.06 132.0745 1 Aspartate M+0 1251 4.11 132.0299 0 Aspartate M+1 1317 4.11 133.0332 1 Aspartate M+2 1341 4.11 134.0365 2 Aspartate M+3 1393 4.11 135.0400 3 Malate M+0 1299 13.23 133.0140 0 Malate M+1 1339 13.22 134.0172 1 Malate M+2 1386 13.22 135.0205 2 Malate M+3 1426 13.22 136.0238 3 Malate M+4 1467 13.22 137.0273 4 p-Aminobenzoate M+0 1430 7.62 136.0412 0 Alpha-ketoglutarate M+0 1870 13.61 145.0138 0 Alpha-ketoglutarate M+1 1911 13.60 146.0172 1 Glutamine M+0 1885 1.25 145.0614 0 Glutamine M+1 1929 1.25 146.0648 1 Lysine M+0 1901 1.04 145.0978 0 O-Acetyl-serine M+0 1918 1.63 146.0455 0 Glutamate M+0 1924 3.62 146.0456 0 Glutamate M+1 1960 3.62 147.0488 1 Glutamate M+2 1983 3.62 148.0520 2 Glutamate M+3 2004 3.61 149.0553 3 Glutamate M+4 2059 3.61 150.0587 4 Methionine M+0 1982 1.94 148.0433 0 Ribose M+0 2002 1.94 149.0466 0 3-Methylphenylacetic acid M+0 2007 16.50 149.0605 0 Xanthine M+0 2095 3.23 151.0257 0 Xanthine M+1 2127 3.23 152.0291 1 Xanthine M+2 2154 3.23 153.0326 2 Xanthine M+3 2182 3.24 154.0360 3 Histidine M+0 2184 1.12 154.0619 0 Aminoadipic acid M+0 2602 3.34 160.0611 0 Phenylpyruvate M+0 2715 14.56 163.0397 0 Phenylpyruvate M+1 2746 14.56 164.0431 1 Phenylalanine M+0 2751 5.86 164.0713 0 Phenylalanine M+1 2787 5.86 165.0746 1 Phenylalanine M+2 2807 5.86 166.0778 2 Quinolinate M+0 2798 14.06 166.0143 0 Phosphoenolpyruvate M+0 2820 14.28 166.9747 0 Phosphoenolpyruvate M+1 2855 14.28 167.9781 1 Phosphoenolpyruvate M+3 2939 14.28 169.9849 3 Uric acid M+0 2827 6.02 167.0207 0 Uric acid M+1 2864 6.01 168.0238 1 Uric acid M+2 2903 6.00 169.0273 2 Uric acid M+3 2945 6.00 170.0308 3 Dihydroxy-acetone-phosphate M+0 2895 9.81 168.9904 0 Dihydroxy-acetone-phosphate M+1 2941 9.82 169.9939 1 Dihydroxy-acetone-phosphate M+2 2992 9.89 170.9970 2 Dihydroxy-acetone-phosphate M+3 3058 9.81 172.0004 3 sn-Glycerol-3-phosphate M+0 2993 7.72 171.0061 0 sn-Glycerol-3-phosphate M+1 3060 7.72 172.0094 1 sn-Glycerol-3-phosphate M+2 3119 7.72 173.0127 2 sn-Glycerol-3-phosphate M+3 3165 7.72 174.0160 3 Aconitate M+0 3118 14.30 173.0089 0 Arginine M+0 3154 1.11 173.1039 0 Acetyl-aspartate M+0 3179 13.41 174.0402 0 Acetyl-aspartate M+1 3253 13.41 175.0438 1 Acetyl-aspartate M+2 3299 13.41 176.0469 2 Acetyl-aspartate M+3 3332 13.40 177.0505 3 Acetyl-aspartate M+4 3363 13.41 178.0537 4 2-Isopropylmalic acid M+0 3255 13.70 175.0608 0 Hydroxyphenylpyruvate M+0 3399 14.81 179.0343 0 Hydroxyphenylpyruvate M+1 3427 14.81 180.0378 1 Glucose M+0 3407 1.28 179.0557 0 Glucose M+1 3429 1.29 180.0591 1 Glucose M+5 3559 1.29 184.0725 5 Tyrosine M+0 3431 2.70 180.0662 0 Tyrosine M+1 3463 2.70 181.0695 1 4-Hydroxyphenyllactate M+0 3459 12.76 181.0503 0 4-Pyridoxic acid M+0 3493 14.53 182.0456 0 3-Phosphoglycerate M+0 3585 13.89 184.9850 0 3-Phosphoglycerate M+1 3638 13.89 185.9886 1 3-Phosphoglycerate M+2 3677 13.89 186.9919 2 3-Phosphoglycerate M+3 3720 13.89 187.9951 3 N-Acetyl-glutamine M+0 3697 7.63 187.0722 0 N-Acetyl-glutamine M+7 3964 7.34 194.0948 7 Acetyllysine M+0 3713 1.59 187.1085 0 Citrate/isocitrate M+0 3841 14.13 191.0195 0 Citrate/isocitrate M+1 3878 14.14 192.0227 1 Citrate/isocitrate M+2 3911 14.14 193.0260 2 Citrate/isocitrate M+3 3945 14.13 194.0294 3 Tryptophan M+0 4460 8.27 203.0823 0 Tryptophan M+1 4500 8.27 204.0854 1 Pantothenate M+0 5231 11.82 218.1030 0 Ribulose-5-phosphate M+0 5783 7.54 229.0115 0 Ribulose-5-phosphate M+1 5829 7.54 230.0146 1 Ribulose-5-phosphate M+2 5879 7.54 231.0181 2 Ribulose-5-phosphate M+3 5920 7.54 232.0215 3 Ribulose-5-phosphate M+4 5989 7.55 233.0250 4 Ribulose-5-phosphate M+5 6041 7.54 234.0280 5 Val-Asp (VD) M+0 5896 7.23 231.0981 0 Cytidine M+0 6376 1.39 242.0796 0 Cytidine M+1 6433 1.39 243.0827 1 Fructose-6-phosphate M+0 7151 7.57 259.0217 0 Fructose-6-phosphate M+1 7193 7.57 260.0253 1 Fructose-6-phosphate M+2 7234 7.57 261.0285 2 Fructose-6-phosphate M+3 7283 7.57 262.0320 3 Fructose-6-phosphate M+4 7371 7.57 263.0353 4 Fructose-6-phosphate M+5 7409 7.57 264.0388 5 Fructose-6-phosphate M+6 7457 7.57 265.0422 6 Glucose-1/6-phosphate M+0 7153 7.27 259.0221 0 Glucose-1/6-phosphate M+1 7194 7.27 260.0255 1 Glucose-1/6-phosphate M+2 7235 7.27 261.0288 2 Glucose-1/6-phosphate M+3 7282 7.27 262.0318 3 Glucose-1/6-phosphate M+4 7370 7.27 263.0351 4 Glucose-1/6-phosphate M+5 7408 7.27 264.0386 5 Glucose-1/6-phosphate M+6 7456 7.27 265.0421 6 2,3-Diphosphoglyceric acid M+0 7450 13.98 264.9519 0 2,3-Diphosphoglyceric acid M+1 7514 13.90 265.9551 1 6-Phospho-D-gluconate M+0 7923 13.72 275.0171 0 6-Phospho-D-gluconate M+1 7957 13.72 276.0205 1 6-Phospho-D-gluconate M+2 8009 13.72 277.0237 2 6-Phospho-D-gluconate M+3 8046 13.72 278.0269 3 6-Phospho-D-gluconate M+4 8087 13.72 279.0307 4 6-Phospho-D-gluconate M+5 8133 13.72 280.0338 5 6-Phospho-D-gluconate M+6 8206 13.72 281.0369 6 Chlorpropamide M+0 7926 17.66 275.0261 0 D-Sedoheptulose-1/7-phosphate M+0 8628 7.53 289.0328 0 D-Sedoheptulose-1/7-phosphate M+1 8664 7.53 290.0358 1 D-Sedoheptulose-1/7-phosphate M+2 8720 7.53 291.0394 2 D-Sedoheptulose-1/7-phosphate M+3 8766 7.53 292.0429 3 D-Sedoheptulose-1/7-phosphate M+4 8805 7.53 293.0463 4 D-Sedoheptulose-1/7-phosphate M+5 8849 7.53 294.0494 5 D-Sedoheptulose-1/7-phosphate M+6 8892 7.53 295.0526 6 D-Sedoheptulose-1/7-phosphate M+7 8923 7.53 296.0558 7 N-Acetyl-glucosamine-1/6-phosphate M+0 9085 7.99 300.0487 0 N-Acetyl-glucosamine-1/6-phosphate M+6 9379 8.00 306.0685 6 dCMP M+0 9378 10.34 306.0494 0 Glutathione M+0 9382 8.34 306.0764 0 Glutathione M+1 9434 8.34 307.0796 1 Glutathione M+2 9459 8.34 308.0826 2 Glutathione M+3 9516 8.34 309.0860 3 Glutathione M+4 9549 8.33 310.0899 4 Glutathione M+5 9586 8.33 311.0925 5 dTMP M+0 9961 12.56 321.0490 0 dTMP M+1 10003 12.54 322.0520 1 dTMP M+2 10052 12.54 323.0560 2 dTMP M+3 10083 12.54 324.0592 3 dTMP M+5 10149 12.53 326.0655 5 CMP M+0 9999 9.14 322.0440 0 CMP M+1 10050 9.13 323.0476 1 CMP M+2 10081 9.14 324.0511 2 CMP M+3 10120 9.14 325.0543 3 CMP M+4 10146 9.13 326.0573 4 CMP M+5 10214 9.14 327.0607 5 UMP M+0 10044 10.83 323.0284 0 UMP M+1 10078 10.83 324.0317 1 UMP M+2 10117 10.83 325.0349 2 UMP M+3 10145 10.84 326.0384 3 UMP M+4 10212 10.84 327.0415 4 UMP M+5 10258 10.84 328.0449 5 UMP M+6 10307 10.83 329.0484 6 UMP M+7 10357 10.83 330.0518 7 Cyclic-AMP M+0 10260 12.41 328.0453 0 dAMP M+0 10358 12.72 330.0603 0 dAMP M+1 10403 12.71 331.0638 1 dAMP M+2 10442 12.70 332.0676 2 dAMP M+3 10484 12.70 333.0707 3 dAMP M+4 10521 12.71 334.0743 4 dAMP M+5 10554 12.67 335.0771 5 dAMP M+6 10588 12.71 336.0808 6 AMP M+0 11029 11.80 346.0554 0 AMP M+1 11073 11.80 347.0584 1 AMP M+2 11102 11.80 348.0619 2 AMP M+3 11137 11.80 349.0656 3 AMP M+4 11166 11.80 350.0685 4 AMP M+5 11218 11.80 351.0718 5 AMP M+6 11255 11.80 352.0755 6 AMP M+7 11294 11.80 353.0789 7 AMP M+8 11325 11.80 354.0817 8 IMP M+0 11072 11.21 347.0395 0 IMP M+1 11101 11.21 348.0431 1 IMP M+2 11134 11.20 349.0461 2 IMP M+3 11163 11.20 350.0497 3 IMP M+4 11216 11.21 351.0529 4 IMP M+5 11253 11.21 352.0557 5 IMP M+6 11293 11.21 353.0597 6 IMP M+7 11323 11.20 354.0625 7 IMP M+8 11362 11.19 355.0660 8 GMP M+0 11634 11.22 362.0503 0 GMP M+1 11677 11.21 363.0538 1 GMP M+2 11711 11.22 364.0567 2 GMP M+3 11751 11.22 365.0600 3 GMP M+4 11786 11.22 366.0636 4 GMP M+5 11818 11.22 367.0665 5 GMP M+6 11859 11.22 368.0701 6 GMP M+7 11892 11.21 369.0735 7 GMP M+8 11928 11.21 370.0772 8 Xanthosine-5-phosphate M+0 11675 13.17 363.0342 0 Xanthosine-5-phosphate M+1 11710 13.17 364.0379 1 Xanthosine-5-phosphate M+2 11750 13.17 365.0409 2 Xanthosine-5-phosphate M+3 11783 13.17 366.0445 3 Xanthosine-5-phosphate M+4 11817 13.17 367.0481 4 Xanthosine-5-phosphate M+5 11858 13.17 368.0507 5 Xanthosine-5-phosphate M+6 11891 13.16 369.0548 6 5-Phosphoribosyl-1-pyrophosphate M+0 12516 15.49 388.9444 0 5-Phosphoribosyl-1-pyrophosphate M+1 12554 15.50 389.9477 1 5-Phosphoribosyl-1-pyrophosphate M+2 12587 15.49 390.9514 2 5-Phosphoribosyl-1-pyrophosphate M+3 12633 15.49 391.9551 3 5-Phosphoribosyl-1-pyrophosphate M+4 12669 15.49 392.9583 4 5-Phosphoribosyl-1-pyrophosphate M+5 12701 15.49 393.9610 5 CDP M+0 12945 13.73 402.0103 0 CDP M+1 12984 13.74 403.0138 1 CDP M+2 13019 13.73 404.0174 2 CDP M+3 13052 13.73 405.0208 3 CDP M+4 13074 13.73 406.0240 4 CDP M+5 13098 13.73 407.0270 5 UDP M+0 12978 14.01 402.9946 0 UDP M+1 13016 14.01 403.9980 1 UDP M+2 13051 14.01 405.0013 2 UDP M+3 13073 14.01 406.0044 3 UDP M+4 13097 14.01 407.0075 4 UDP M+5 13120 14.01 408.0111 5 UDP M+6 13138 14.01 409.0147 6 Cholic acid M+0 13108 16.93 407.2818 0 Cholic acid M+1 13131 16.94 408.2836 1 ADP M+0 13557 14.37 426.0225 0 ADP M+1 13579 14.35 427.0249 1 ADP M+2 13606 14.36 428.0283 2 ADP M+3 13633 14.36 429.0316 3 ADP M+4 13659 14.36 430.0355 4 ADP M+5 13685 14.36 431.0386 5 ADP M+6 13708 14.36 432.0421 6 ADP M+7 13729 14.36 433.0450 7 ADP M+8 13754 14.35 434.0492 8 GDP M+0 13948 14.02 442.0165 0 GDP M+1 13967 14.02 443.0204 1 GDP M+2 13986 14.02 444.0233 2 GDP M+3 14001 14.02 445.0267 3 GDP M+4 14021 14.02 446.0300 4 GDP M+5 14038 14.02 447.0336 5 GDP M+6 14057 14.02 448.0370 6 CDP-ethanolamine M+0 14002 6.91 445.0525 0 CDP-ethanolamine M+1 14022 6.91 446.0561 1 CDP-ethanolamine M+2 14040 6.91 447.0595 2 CDP-ethanolamine M+3 14058 6.92 448.0623 3 CDP-ethanolamine M+4 14076 6.91 449.0659 4 CDP-ethanolamine M+5 14097 6.91 450.0697 5 CTP M+0 14754 15.38 481.9767 0 CTP M+5 14866 15.40 486.9927 5 UTP M+0 14773 15.53 482.9608 0 UTP M+1 14799 15.54 483.9642 1 UTP M+2 14822 15.54 484.9681 2 UTP M+3 14846 15.54 485.9715 3 UTP M+4 14865 15.53 486.9743 4 UTP M+5 14880 15.54 487.9783 5 ATP M+0 15120 15.65 505.9888 0 ATP M+1 15135 15.66 506.9918 1 ATP M+2 15146 15.66 507.9950 2 ATP M+3 15159 15.66 508.9984 3 ATP M+4 15184 15.66 510.0022 4 ATP M+5 15205 15.67 511.0047 5 ATP M+6 15221 15.66 512.0088 6 ATP M+7 15233 15.66 513.0120 7 GTP M+0 15347 15.50 521.9833 0 GTP M+1 15362 15.50 522.9862 1 GTP M+2 15379 15.50 523.9898 2 GTP M+3 15393 15.50 524.9934 3 GTP M+4 15407 15.51 525.9956 4 GTP M+5 15446 15.50 527.0000 5 UDP-D-glucose M+0 15845 13.66 565.0472 0 UDP-D-glucose M+1 15857 13.67 566.0503 1 UDP-D-glucose M+2 15875 13.67 567.0546 2 UDP-D-glucose M+3 15888 13.67 568.0566 3 UDP-D-glucose M+4 15905 13.67 569.0603 4 UDP-D-glucose M+5 15915 13.67 570.0640 5 UDP-D-glucose M+6 15923 13.68 571.0675 6 UDP-D-glucose M+7 15928 13.67 572.0706 7 UDP-D-glucose M+8 15933 13.66 573.0745 8 UDP-D-glucose M+9 15938 13.66 574.0763 9 UDP-D-glucose M+10 15944 13.66 575.0808 10 UDP-D-glucose M+11 15951 13.68 576.0845 11 UDP-D-glucuronate M+0 15974 15.39 579.0270 0 UDP-D-glucuronate M+1 15989 15.38 580.0295 1 UDP-D-glucuronate M+2 16003 15.37 581.0330 2 UDP-D-glucuronate M+3 16012 15.37 582.0369 3 UDP-D-glucuronate M+4 16027 15.37 583.0398 4 UDP-D-glucuronate M+5 16037 15.36 584.0424 5 UDP-D-glucuronate M+6 16044 15.37 585.0460 6 UDP-D-glucuronate M+7 16051 15.37 586.0493 7 UDP-D-glucuronate M+8 16055 15.37 587.0530 8 UDP-D-glucuronate M+9 16060 15.37 588.0560 9 UDP-D-glucuronate M+10 16064 15.38 589.0603 10 UDP-D-glucuronate M+11 16067 15.37 590.0638 11 UDP-N-acetyl-glucosamine M+0 16164 13.70 606.0731 0 UDP-N-acetyl-glucosamine M+1 16171 13.72 607.0775 1 UDP-N-acetyl-glucosamine M+2 16182 13.71 608.0809 2 UDP-N-acetyl-glucosamine M+3 16198 13.70 609.0833 3 UDP-N-acetyl-glucosamine M+4 16209 13.70 610.0858 4 UDP-N-acetyl-glucosamine M+5 16219 13.70 611.0894 5 UDP-N-acetyl-glucosamine M+6 16228 13.71 612.0938 6 UDP-N-acetyl-glucosamine M+7 16232 13.72 613.0970 7 UDP-N-acetyl-glucosamine M+8 16237 13.70 614.0992 8 UDP-N-acetyl-glucosamine M+9 16248 13.71 615.1036 9 UDP-N-acetyl-glucosamine M+10 16256 13.69 616.1060 10 UDP-N-acetyl-glucosamine M+11 16264 13.70 617.1092 11 UDP-N-acetyl-glucosamine M+12 16270 13.70 618.1127 12 UDP-N-acetyl-glucosamine M+13 16277 13.70 619.1159 13 Glutathione disulfide M+0 16220 13.20 611.1435 0 Glutathione disulfide M+1 16230 13.20 612.1464 1 Glutathione disulfide M+2 16234 13.20 613.1501 2 Glutathione disulfide M+3 16240 13.20 614.1541 3 Glutathione disulfide M+4 16250 13.20 615.1568 4