metabolite_name V1 V2 V3 V4 V5 V6 V7 V8 V9 V10 Q11 Q12 Q13 Q14 Q15 Q16 Q17 Q18 Q19 Q20 Q21 Q22 Q23 Q24 Q25 Q26 Q27 Q28 Q29 Q30 Q31 Q32 Q33 Q34 Q35 Q36 Q37 Q38 Q39 Q40 methylpiperidine-2-carboxylic acid 448.7648475 1128.11084 538.5464556 263.1186048 389.4135616 902.1781529 355.039174 435.1763016 210.3487459 1047.254658 3068.657539 3649.772611 8033.738571 3078.379889 2425.510193 6807.116923 8231.988335 7222.980822 4360.367113 2719.879812 1863.775874 1393.598989 1134.876869 678.1218254 1048.851383 1320.355992 1348.249475 1361.578577 1300.091017 1061.846492 2088.724386 842.4752316 856.1472821 3354.307722 1583.247545 1262.755101 1319.94973 3651.179318 1294.070439 1152.622382 carbamoylpyrrolidine-2-carboxylic acid 20932.83663 11323.21623 14574.76752 9173.577469 18069.12299 10442.54381 6016.584174 13915.19003 11132.84087 13841.33696 529.9898192 271.0241346 477.7099216 171.0039266 327.226391 361.0580437 475.0844719 376.2803024 234.6656412 249.6063371 142.525953 160.9733155 165.6559918 164.3037766 339.1945831 146.3997703 162.0711258 135.4485269 164.2170475 163.9841005 458.0401356 808.3771589 715.7506793 777.1520011 296.1068563 447.475507 613.0834377 581.9971748 656.4454054 658.0043097 methylguanosine 1849.854278 1859.306618 2183.342822 1837.59175 1964.366641 2170.110076 2159.928971 2599.98903 1939.849826 2035.69805 1492.260461 1503.078931 1601.259522 1324.563815 1518.18912 1978.49625 2094.218206 1545.44343 1113.42803 1153.162325 2755.768522 2320.786351 2871.784299 2471.85315 2247.242832 1914.637024 1421.400236 2198.706742 1779.987621 1644.512887 1568.359287 1728.476647 1651.288366 2044.534734 1968.341847 1845.148046 1986.913917 2749.386527 1976.104088 2049.817272 methyl-L-histidine 7441.485887 5187.688917 6448.956869 7849.928205 5937.472176 3546.346863 6944.560102 3771.063939 7170.732742 4967.269195 844.7876361 618.7285383 589.0606517 462.156127 451.7202575 595.4230528 611.2911083 724.225286 522.6071771 674.4182441 989.0259463 1014.588279 848.630635 838.6972337 769.904902 730.5315177 1026.178681 934.5309418 997.5419575 1054.503463 694.7825746 519.5039186 634.673621 830.0219112 660.7394453 647.3256463 705.8989118 782.1102791 551.2287431 624.6945457 phenylglycine 332.6159907 530.6173774 447.6070296 264.1227773 393.9205708 496.7907479 249.7549403 512.415428 317.980245 349.2900529 396.1678918 218.8172378 545.3261408 838.7708767 192.2820719 419.7450993 206.8637647 366.6016186 471.2303025 338.8339737 97.89496787 98.62917669 161.94672 297.918495 103.8756222 171.8519101 171.1689055 115.0438317 83.13974392 65.31695434 110.4768078 115.9479819 90.86132489 108.2446261 220.4232237 69.6514073 189.5066581 150.3704648 207.9615463 125.4132013 9(R)-hydroxydec-2(E)-enoic acid 153322.2672 101269.4043 178451.898 41254.21427 112537.0787 252257.9466 46478.41374 187634.8239 93397.96497 210217.7521 188377.2842 236127.9747 265173.9326 268931.354 224764.0348 259050.2177 226348.0427 232906.836 180235.108 172708.64 360152.5931 302542.9721 395347.0102 525236.9193 390277.6703 332779.9831 438932.8531 302372.7126 533230.8534 388717.8022 320804.1013 384659.7077 323583.2395 378613.3532 408614.6181 370689.302 388011.5993 513852.1185 424900.8289 380962.7604 E-9-oxodec-2-enoic acid 42188.51277 63244.07988 49725.43257 10689.94751 77870.48674 150096.0766 11894.12492 122218.8799 21194.77965 97445.08137 384521.8538 366709.9455 347786.6026 396723.9056 346703.79 383796.8809 463926.5758 375785.7208 305917.8268 369008.5934 356167.8429 326437.9892 395401.1352 361448.496 336573.1716 337556.1143 325213.6617 428573.1477 250706.8564 274066.8413 247607.013 345802.9813 301424.7743 352363.6824 328976.6608 356348.1522 332064.2739 360647.463 371673.0877 269774.8952 10-hydroxy-2-decenoic Acid 83748.90523 92967.13294 111348.3571 44888.32379 79502.24404 98268.95083 51675.82882 111031.8317 50023.4715 65599.2198 68532.3048 65909.60672 52726.09679 47167.09823 65102.78785 80925.12179 75666.52547 43866.20292 18666.51886 66717.23659 19906.24955 27429.9091 45288.02469 36822.94063 19852.31817 15687.04902 17102.63972 44571.85347 38730.82813 20346.41553 43263.67565 48199.66106 17950.57133 58205.96153 36799.09809 51236.53163 43158.71696 40658.97884 48247.02757 27950.34765 3-hydroxy-DL-kynurenine 54786.44776 41861.26588 54306.72527 46526.51663 57096.09339 48379.68376 46227.98044 51608.22984 58628.2246 49411.44496 15783.38502 16326.70647 15993.76141 15160.58283 11989.93173 15947.04703 12465.93528 14954.58882 13710.68911 10325.06702 5547.385791 5376.367489 5720.962439 6391.116075 4900.389699 6604.324996 5914.720979 6288.671571 5102.789779 5038.457464 4766.732474 6676.788654 6599.01412 7992.532195 8839.087849 5605.50095 6214.33044 9120.998999 5363.917937 6395.524604 glycerophosphocholine 207190.0528 138940.85 186083.6117 191086.0685 146366.8955 190814.6923 206941.1526 181866.8839 199648.2203 210166.5821 145738.4256 117138.0583 148461.6708 122128.6148 94466.89182 152196.9504 118269.4332 137692.878 131166.9643 123733.7402 118671.8967 141590.9318 119478.2493 107049.8938 112402.7643 137837.0626 113956.535 106731.7095 100801.569 102464.1646 130295.5356 118844.8234 118112.5826 189009.1288 170553.054 157326.3926 137772.4848 138704.6842 105885.1509 149441.9185 saccharopine 507.8331211 302.899048 475.9726767 561.4710285 388.8346767 583.6601522 406.7958188 596.828473 693.4918872 513.8915708 956.6820855 649.3769822 755.7263611 787.8887806 793.0543175 678.5604998 479.6823328 784.056407 705.1135162 927.3970036 843.9998806 801.3435684 559.0600028 533.5710633 733.916952 1111.283901 734.9138953 976.4073086 665.937697 968.6062814 421.7249862 372.2919242 884.6654488 899.1555979 658.2886816 503.0922805 754.1759256 737.4187666 442.1441096 520.101439 acetylputrescine 145.9068939 113.1924109 142.0173695 172.3543476 103.58772 101.9505874 183.4035069 103.2827874 225.6233396 106.1850446 101.3443679 104.2532547 108.1009995 117.7972715 109.0512864 95.63232143 125.4383956 115.5233374 176.2579163 125.327897 230.7512005 452.2482233 213.2514385 261.4182621 142.3289138 324.7215648 218.9647666 174.3440446 178.3728198 229.4216076 112.9150812 162.2572384 121.5632252 140.1616819 107.3476708 134.207187 214.2695762 82.2451488 99.75699747 115.5726253 methylindole 2041.548871 1225.001366 1133.744007 2469.432691 1031.99144 778.8044496 1666.134143 1123.436345 2494.592649 1186.792596 113.7147181 88.86947117 87.97710321 85.93706814 69.83638142 86.80928132 62.42211924 78.88402871 90.12419389 84.05357491 74.20577339 77.50193858 99.2643219 88.07485414 82.88993565 87.82626847 98.97051119 81.25200965 91.24987511 82.97786028 94.95323188 85.96340257 117.9568498 105.1511354 117.8465252 164.4297803 91.2957741 110.6085325 95.7140211 100.6006561 cinnamaldehyde 119.2182235 340.1302133 998.2516336 38.58608766 409.2275456 1340.853508 59.3689693 918.0972517 86.94819847 646.0965598 1999.958492 2066.194712 1752.381075 2377.192881 785.9720225 2810.896081 3278.516371 1979.199805 1725.904065 1486.499767 507.0803912 683.979076 1109.249678 881.9123101 413.2833744 600.4271453 334.4314778 1245.536963 814.5049552 329.1886289 725.4863753 862.2316446 587.2117993 1618.081757 1134.135285 1380.378835 1416.296839 1218.791517 1898.193448 834.5288895 hydroxycaprylic acid 35720.64793 52846.11521 52005.87966 12730.29437 53280.856 76846.16318 10146.45274 73565.0573 22323.8673 59544.77412 78555.15756 94324.62076 144594.6579 79418.92794 145740.9224 121161.9926 139326.0144 109253.6109 53711.66996 109054.2774 139883.1563 140939.3289 219643.2193 123870.5145 96984.21093 108464.6011 99215.57874 134289.9271 109653.245 116193.4669 135011.4937 185452.6311 144001.7855 164481.5838 141458.3447 189599.707 171465.2909 193045.6999 218344.7736 143201.5561 phenacylamine 856.4720354 943.4105082 1191.307255 615.661456 759.4345805 613.2363206 282.1998751 776.8570726 1194.858998 1137.754711 115.6928746 72.45273639 101.1710937 61.73321975 44.40249714 100.3438097 71.73007878 78.74779012 74.7161743 50.83279103 34.67751351 26.67428673 85.84887176 61.05693842 47.53196469 53.71904012 63.69246345 60.08340427 51.59601585 43.31076405 78.7230465 56.93599951 89.86439262 146.6093671 116.174399 242.528892 127.0822472 104.5823832 47.7819264 117.4975386 acetylhistamine 72.92321979 98.87459051 70.88273017 98.28552575 106.158509 106.0990334 71.83536299 62.77749187 98.27903307 54.43613457 319.7374596 206.9655742 490.9241037 407.2345626 744.6425369 348.3095869 569.0913472 254.6135021 819.7077182 510.8492012 2072.856089 5752.931632 2732.440637 2089.219275 1299.918519 3543.139269 2842.374201 1671.018795 1971.58323 3398.162168 1154.444149 1491.708845 1687.636045 2374.634398 1548.578106 2008.210803 4601.139775 1185.343701 2594.102629 2697.25933 estragole 55496.02499 56155.26881 56966.44801 17963.13651 70307.83196 102218.5318 26807.71337 98555.64638 36132.00149 86949.45539 214103.1308 204672.2602 203731.4302 223476.0556 198084.3719 205280.667 245402.8471 209455.9357 191113.3263 205221.859 197659.9675 183677.3255 207925.1323 204702.7454 188069.1928 197239.6039 183415.1952 221970.3783 154631.7295 158913.6313 149656.179 193431.5036 173759.956 192752.1496 187365.3343 195370.5746 183473.953 198438.6979 197223.7279 162804.4233 delta-octanolactone 4400.36709 9818.303052 7929.268564 1783.583247 9323.617714 9490.14139 1573.997643 9465.273071 2595.327028 5883.470552 16554.10975 12233.351 14459.09619 11547.8613 18382.26285 15446.39618 19812.63899 15350.64261 8229.997673 18343.61112 25700.71548 22610.63074 25088.97906 15578.49242 19149.06018 10494.35134 13208.24428 21805.41439 26429.73184 17945.23416 19340.25633 22897.37153 25858.97345 20720.45492 26339.07317 23729.13188 25930.45662 30083.05692 44161.96242 20991.75185 adenosine 19100.21762 15010.54234 19285.20103 13061.61809 19867.28057 19220.5687 13759.93189 17723.16571 15872.40099 17879.91093 13064.5071 11815.42711 12644.29214 12761.53581 11494.24121 11023.07162 10296.33881 11252.92235 14285.74165 11934.54378 18933.98836 22327.56954 16962.75713 14539.64365 17608.65666 19566.76273 16676.54248 14966.43308 14623.65144 16891.57124 16715.47121 18189.9417 16870.42168 17259.79675 14248.64616 16904.07555 11285.73815 14782.56368 14220.88961 12807.33336 alpinetin methyl ether 58.54805986 53.16616053 58.03629839 65.38948171 51.45752149 54.46852005 78.54724253 60.21332785 55.85250878 76.93750873 108.0531759 312.0513587 247.5713349 206.6707727 154.6827882 330.6087246 470.8337516 186.4056764 319.2569842 130.8421855 253.8063028 309.5168756 332.4257991 289.4865955 274.2164062 303.9442646 197.8822781 231.0302518 233.121524 161.507979 224.8455779 324.0947155 169.9578049 645.4556092 375.7880757 189.9583942 391.4698866 434.7156856 439.5219655 240.8246658 L-arginine monohydrochloride 20947.09505 14809.4072 18354.18839 23233.34081 14980.18286 18899.38649 24511.94923 18932.96907 21267.89684 17776.92524 18971.17375 18252.80644 18039.80201 17694.13447 18145.94007 16781.14219 19397.84736 19424.72922 17452.84396 20958.56339 19093.51949 17093.44479 16859.74771 18133.72449 17864.04896 17498.71882 18483.16788 18496.53523 17136.89643 16141.14583 15888.14497 16826.39459 16692.55643 22328.9257 18695.46199 20131.77374 15476.24902 20144.92155 18459.50441 17631.92826 beta-nicotinamide adenine dinucleotide 3223.316487 2676.992871 3668.384988 3803.242634 3944.80019 4406.746104 4030.398558 4191.325528 3560.243684 4150.491678 4228.678805 4735.538304 4404.934268 4118.676043 4601.089551 5027.754666 5087.962147 4844.884664 4598.897028 4932.379838 5247.727145 3360.234905 3677.472563 3481.474873 4680.311151 3509.127391 4843.171271 4835.050912 5164.573411 5258.538579 3261.663296 2975.390705 3529.892173 3584.246863 3290.327653 3736.308488 3698.604768 4088.386561 4230.003826 4645.017626 E-3-(4-hydroxy-3-methoxyphenyl)-prop-2-en-1-ol 42.03036821 46.74892973 46.20384683 48.21103457 75.8994999 72.94736598 60.77521182 60.44383649 53.89910217 55.36720128 272.6941223 113.3610465 314.0462433 94.57142443 95.23653733 166.3407946 156.4986013 166.8854168 223.3080074 83.94065921 67.81499369 86.41159441 90.26543157 95.46894149 72.33389487 103.1184374 69.16453533 138.0419428 66.31695007 72.94925112 94.37083011 131.7713526 63.44749912 139.6250981 163.1460819 104.3530898 139.0023569 116.234508 90.56345503 108.4493536 caffeine 13C3 24841.47625 29796.00764 25423.16723 26186.3711 26330.20336 24241.50669 25473.31545 25077.23032 26050.43431 24851.66148 24614.02509 23162.73585 24834.92275 22746.7523 23386.99084 23245.55697 23043.6857 23864.52515 23999.2649 23570.03328 18996.77843 23915.05173 23348.18667 23890.03434 23580.38467 19223.06483 23966.10878 23858.98819 26578.69721 27284.42999 23975.3281 22697.01246 23559.22082 22324.63455 22634.8487 23407.64056 24981.78166 23286.56119 25540.23967 23322.21337 cuminyl alcohol 46723.54423 54074.40237 52343.44193 35026.23145 48815.31152 43445.68194 34892.90897 51506.39951 39162.70212 39715.48125 44885.51129 47723.07003 42323.81748 40946.4804 45037.71003 49172.57804 50685.72184 39583.02113 27421.49382 45183.44556 36522.8869 36235.15197 48494.05952 47063.63739 38304.29752 29363.79652 37444.92337 46313.48354 55763.56474 36739.63607 41333.67715 43770.86652 33992.66256 47963.18657 43724.05326 47792.68019 46841.10576 44810.28643 52340.26515 37608.53599 dopamine 30405.4571 15975.39024 15302.46988 65240.67101 25551.58356 14934.7977 40158.62094 20264.06162 40861.36877 28279.28041 4153.268153 2324.519076 1710.29847 1819.063332 1667.846375 2921.676712 2302.391129 2670.012682 2617.897752 2342.788874 2953.118103 3801.506205 3572.556048 3324.576738 3124.893523 2669.438021 3793.024154 2870.674378 3885.482334 3544.832176 2797.873042 2594.466662 3004.667736 4683.342079 4656.098151 6162.153062 3548.455901 3314.557912 2708.683743 2715.554871 D-phenylalanine-d5 25573.95641 24668.17668 27552.81568 22403.43215 21587.54268 23170.39945 24611.44003 23690.07086 25389.89493 26718.29516 26914.36828 28510.20987 31216.29162 28152.46453 29606.91096 27070.28824 29356.11737 31796.0049 28647.11987 28228.45133 26174.36765 26501.33155 27305.85659 30581.1106 31326.83343 28612.94528 31230.30449 27026.31981 28965.79463 29683.10103 27114.68037 32368.43219 31833.89744 28749.08352 29585.17909 27084.60657 28745.00527 30792.83095 28865.59689 30517.73321 ferulic acid-d3 30924.36793 32940.73633 28107.61163 32666.51246 31016.82619 30204.16834 35387.64645 30099.16571 34501.19871 30504.47141 27862.64306 28448.44884 31742.67797 30588.20625 27086.62863 27620.853 27273.56636 28438.63839 28505.14088 30410.42614 27874.73789 30397.59581 28860.37524 31502.00414 29419.48065 31607.08197 27718.70102 28055.21482 31205.95248 27276.12972 29432.78083 33632.35052 25389.555 27164.72218 28414.18369 29775.71412 30920.66191 28726.79915 31264.17934 30521.26529 fructoselysine 300.0463262 170.2321608 271.2671587 312.2328826 221.6958804 212.0813779 323.7262333 252.7985022 259.5824424 311.3421198 297.7017187 205.9056572 240.336969 162.2363379 193.1218116 196.1732754 211.8176459 267.1186267 245.6707003 302.438906 301.0113419 311.7162665 346.0036172 290.6196531 268.0168387 424.7008825 374.3870124 252.543895 244.6969966 209.1076666 409.2285813 419.130494 478.5960954 430.7407185 322.0202836 365.280785 251.6429671 358.751673 421.0971048 320.5353089 galactosamine 3192.682266 4628.772714 3677.017566 3820.411045 2203.24771 6012.441818 2083.831548 3255.69338 1983.523309 1288.009547 9873.101015 9625.026247 8916.368112 9550.765129 12993.53059 8521.414417 10175.00563 10169.79794 8531.189794 8827.107147 17407.25137 3387.813161 15921.09219 3580.295511 10894.67901 9777.91305 4055.406434 6864.729207 15749.1215 7090.525172 15722.72791 2645.923932 11851.1904 7708.120179 9859.4417 1702.013896 5432.016587 11392.72969 4761.380796 11491.33453 gamma-aminobutyric acid 1756.657737 1678.806285 1763.846387 2541.831527 1771.320002 2074.126482 1838.029766 1894.378149 1742.986966 1370.635925 1793.392315 2053.373537 1732.572146 2105.135405 1848.152657 2081.129198 1984.999332 2162.077443 1900.230326 2445.322197 2679.98593 2187.979084 2202.109385 1625.197712 1498.232381 1857.935341 2114.613937 2681.659214 2213.226656 2915.495158 2375.089072 1546.145879 2417.453527 2055.526706 1830.008657 1486.14139 2416.547013 1618.718039 1858.04416 2310.173684 gamma-glutamylglutamine 1626.490365 964.3042006 1267.393902 2628.38073 1485.629935 1454.117108 3150.882447 1134.216902 1951.74238 1537.480063 2773.140125 1722.103427 2565.817637 1868.211902 2571.215189 2336.041603 1953.792154 2630.224068 1882.604886 2944.04727 3337.542367 2958.037043 2962.9325 3011.351151 3287.088274 2961.868837 4274.665238 2979.774236 3197.958339 3764.495747 3753.6206 2781.892271 3803.388438 2677.343294 3047.501737 3550.014529 3330.332937 3220.973306 3483.924178 3109.653916 gamma-glutamylphenylalanine 9151.089292 3142.038992 4480.207332 11030.59342 4949.485033 5524.742704 13167.37024 5840.610188 7132.635328 7104.19264 2263.024819 1254.447818 1497.654221 1281.76611 1412.664326 1819.332705 1167.625829 1788.909932 1460.926263 2089.576969 1047.645765 1250.602484 1396.440952 1488.197652 1258.223484 1349.51585 1652.201797 1199.282895 1422.298446 1236.37505 2206.44246 1230.736288 1588.518791 2091.995496 1768.992284 2704.778654 1993.987816 1336.382848 1507.97292 1693.538875 gamma-glutamyltyrosine 4060.816053 1886.524096 3251.697443 7633.011818 2977.773585 2935.981632 8797.364428 2374.592824 4041.687505 4561.45943 1324.720422 768.7805549 815.1844 696.6060365 750.3767424 1002.621261 771.1857673 1173.397218 851.4112217 1109.519063 773.8745348 779.9231195 747.055326 672.7515731 843.4208968 759.6688599 863.7220216 751.953584 741.4268607 722.3457248 1018.469814 903.9597981 1177.118832 1185.877192 1036.827485 1355.008129 1407.198812 995.0348011 858.4299252 950.6427929 glutamic acid 98212.10495 95685.86186 93935.59004 106834.5086 104856.0736 103814.8823 103644.7465 94073.57086 112415.2375 105359.7848 125530.285 118622.6688 132233.1562 110680.2922 132588.3353 120265.2793 111415.5722 125646.9278 108398.8391 131038.0148 118251.3056 127815.7299 122042.3251 110900.6057 121832.2949 114652.443 130611.122 129950.8049 145591.0729 126321.4756 127952.1871 123287.3778 145102.7646 133923.6048 128397.4821 152604.5364 121140.5665 130312.8307 122637.2833 91725.73571 glutamine 73758.21092 87139.6506 74561.854 84019.40443 87214.6619 79646.19962 73973.8637 71104.49014 88733.23172 85668.50447 101504.119 96279.99556 107811.6364 81266.65763 110467.5135 101697.4279 90101.84132 98980.47489 85435.94428 108972.9117 92119.54663 105285.1241 99908.26829 86645.57706 104861.4838 88923.60342 101995.8345 111668.1849 125384.2201 105462.1659 101727.3885 102193.3965 122293.3545 108848.5475 107889.8768 130918.7019 108060.5007 108234.2704 103659.1075 68035.86737 glutathione (oxidized) 1880.076521 995.7174205 1091.307699 2957.725266 2206.960934 1456.242806 2564.517673 1604.256112 2416.39854 2554.704736 2422.386326 2435.498366 1835.448156 2293.899782 1903.250209 2184.666639 2360.678938 4693.08404 2188.056414 2209.166632 1747.829787 1176.845858 974.1709878 1159.339535 1433.664629 940.6940402 2002.425765 2225.830387 1482.927317 1861.095491 1023.03263 1056.202304 1196.64573 2226.493772 1689.279534 809.8203371 780.733601 1555.217012 1228.675259 1127.177094 guanine 2238.416792 2095.239944 2830.765914 2762.157592 2383.053108 3252.085017 1556.854639 2350.218009 2217.914754 2617.744401 13221.86447 9659.891683 13444.01122 12530.58858 11544.94492 15307.51558 16513.43982 13905.52261 8980.498118 8232.406643 24311.76506 22564.90585 21423.43795 19438.50324 20142.57077 23571.01644 16805.27544 20244.6876 18018.52891 18864.6334 14908.54322 17878.47901 13997.13094 14405.63965 18010.89258 15895.77715 17878.09595 20974.70896 17749.34292 13585.67396 dopamine quinone 666.7323239 598.8829058 578.332267 638.6944705 617.9372607 682.1388735 740.7503693 723.369251 651.4237076 703.5952588 382.9866752 239.1677529 551.9264808 721.1996323 234.4180292 368.4696572 212.5428208 277.3315845 490.9352583 352.8880439 128.6513982 106.2313803 213.9365205 454.3746862 107.8331898 233.3513673 248.9072708 118.8424915 113.7680358 95.22916781 150.6401597 145.3914529 93.54357046 144.0884584 254.047243 76.0694957 214.936239 230.1970433 316.3080882 194.2465589 PS(18:0/18:2) 2718.39692 801.8517014 1446.303977 2096.50389 2795.045229 2555.155498 1577.230923 1901.042946 4652.385464 2278.74085 970.9388005 797.4345772 1214.158084 1025.08005 881.7209134 1082.627758 1120.365335 1153.434066 836.509295 971.2419056 274.9309462 804.1391671 719.6750071 557.3561924 943.7756135 677.5174094 957.9839195 688.1677196 1070.260909 856.7592992 582.5251549 509.5064184 578.9011378 870.5298096 432.6851639 729.8662416 497.5030297 587.5503492 539.9864338 950.1533797 20-COOH-leukotriene E4 278.6516061 229.7992018 265.3614416 124.9934952 219.284491 514.1065238 109.1214159 325.5272112 163.0287923 251.1029297 1031.364067 1295.662762 1211.212075 1322.096467 1046.856415 1391.370769 1505.366477 910.5547953 757.0643261 967.1739095 2693.815409 3011.389769 4340.83322 2943.512637 3235.448817 1908.005348 1731.255872 1715.05369 3068.802296 1655.540514 1423.689416 1992.942351 1424.399394 1579.332595 2063.398807 2149.829378 1859.394242 3760.067733 2205.482183 1959.850788 hydroxyprolyl-valine 296.9200447 309.8082451 364.0986284 553.6071705 436.108306 581.213266 313.9023578 351.7412006 323.7819942 265.3704817 1080.199586 1011.726712 960.7532296 1151.053322 996.2462008 1003.854193 995.9289077 1149.696414 943.2058389 1016.951107 1231.171257 1390.265813 1008.932641 1014.069027 1083.370642 1054.51181 997.3652751 1306.288099 1286.014547 1477.916205 1271.890552 1102.671386 1292.418636 1080.751059 1002.500157 816.5025103 942.4270988 918.7655677 1288.427857 880.5453885 2,6-nonadien-1-ol 4460.572117 6755.546642 5649.606868 2960.680886 5632.05304 4228.560924 3247.400281 5677.666802 3627.060753 4099.023301 4694.083496 5398.726776 4022.834958 3939.796068 4837.566789 5145.297334 5536.864516 3953.502254 2483.966238 5006.291572 3376.883028 3399.256097 4997.923013 4470.02461 3685.387895 2409.572284 3114.77073 4902.06433 5730.130496 3525.439106 3942.411328 4186.671066 3074.050784 4672.856496 4072.958216 4409.691302 4853.941814 4166.217983 5680.148516 3457.155141 L-2-amino-5-hydroxypentanoic acid 1037.672395 1495.692834 605.3030892 1605.133511 865.2490791 2358.259009 1273.822374 615.2131844 1017.503222 539.2509718 519.5032038 178.8835958 497.2314343 128.7132826 290.3634546 186.1405721 333.9768089 409.7628898 318.2022313 273.597401 336.3102768 264.7935119 355.2360436 154.8408943 272.2069399 224.5577503 162.8325557 350.7391658 363.1883565 273.301863 183.9315241 115.7538233 162.1901876 139.4470562 153.3328137 106.0145608 168.4479017 145.195718 123.2410716 132.783403 octenoic acid 9565.884038 16474.6904 14267.01463 3883.99236 15470.61976 19415.9059 2821.884111 19640.15986 6215.610999 15807.47908 22558.71603 28032.14067 36056.66218 21892.348 36921.96484 33359.05487 41858.96629 32189.50143 15128.77146 33518.54654 36369.038 28152.80232 62888.45266 31470.29452 28978.12289 31391.60672 19224.30987 43301.80315 33086.66018 31732.7293 28238.52004 46746.05851 36539.88451 39558.43124 36352.3542 50584.76348 49848.14255 52026.12115 61350.9775 37255.68452 isoscoparin 2''-(6-(E)-ferulylglucoside) 4728.162585 5849.467571 5629.469818 5626.236901 6643.270614 7426.003533 4938.563065 7363.88884 3884.209928 6523.373362 8537.571438 8608.565176 7717.052673 8690.369766 8203.921325 9754.829808 9486.52082 11040.84288 7819.443693 7972.745762 7626.429856 4959.528656 6898.757219 4796.323191 7800.699032 4086.755456 6936.076261 6377.879221 6911.640024 6182.248912 4253.652039 4819.693986 5457.173568 6033.090588 5338.478676 2151.504581 5516.72942 6409.609526 6262.676239 6145.818344 3,4-dihydroxydecanoylcarnitine 28.95291447 44.4920208 66.74887757 20.8198452 52.23373718 71.89014783 10.45279037 37.27731046 19.142128 28.15621166 367.4298554 465.6780577 254.0807971 398.9136116 581.8296247 450.1608823 684.1091627 417.8169815 201.0968811 481.6571275 235.8725919 111.4915122 314.8445846 215.5778551 280.3669239 97.98968755 57.87401497 122.0001865 197.7439255 91.66659675 118.4379161 227.0104276 116.7159116 103.5918096 135.9684646 314.6982652 89.65224888 198.8660519 179.9540853 140.3058185 proline, 1-acetyl-4-hydroxy-, cis- 489.1317168 236.1046432 245.3695565 57.59271735 129.043106 328.0899206 115.5363419 264.6182636 98.15536238 331.3782472 49.83063155 26.29206656 34.08837972 25.41187172 14.03491102 51.73782285 33.0679762 46.19687612 26.83983697 20.75551281 51.94798312 49.86043916 52.35153786 60.55749003 78.48391766 43.51899818 68.20636431 66.40171433 68.98357881 48.00095493 82.64146018 50.82930738 55.92043271 51.44889977 47.7460682 42.3876405 71.23750823 48.34832642 63.30767874 65.34887698 ethylcarboxamidoadenosine 5822.117031 2219.495985 4516.284331 3801.715669 4377.483222 5096.61343 3570.37533 3919.100634 3414.957151 4621.356712 10765.53171 4739.132212 6696.196199 6662.414992 864.1272341 5764.766051 5267.249755 6318.272748 5097.856967 8193.793262 9188.286167 10535.65646 8743.384638 10213.52047 6194.866448 11286.75976 12695.86511 8836.436612 9168.040706 6439.615241 15702.15537 18732.40099 16478.89862 12172.63887 10971.14141 11907.54138 7657.839623 9857.50083 11789.8492 10481.22361 p-menthen-1,2-diol 11276.48524 10673.7269 14497.29653 7277.533656 7652.838564 13975.19808 11884.84839 15363.91083 10282.70875 12367.65705 13466.57245 11006.5774 13748.14688 8670.208221 11898.3131 10488.36652 12781.5428 13479.4485 6542.021217 10748.7593 12916.05732 12256.68264 11616.05962 12990.49157 10860.79333 9443.296236 10297.26773 18563.8797 13090.64346 11297.96812 12723.4281 15508.87489 14708.84597 22248.07844 19138.21127 27521.80852 26094.32572 29412.58812 26250.88084 25921.56613 planteose 5619.077159 5975.30101 6859.653 7665.224917 5494.941742 10860.68051 6805.241837 7773.280587 3362.29979 5175.742531 9658.684832 9866.216218 9676.645871 19278.94378 10301.11267 10053.06306 9505.667966 10481.76118 8417.554206 12775.08922 8409.757409 7149.475367 9487.567244 6462.890658 7340.829308 6991.374402 8488.045554 6257.787927 7052.829109 7145.895989 13384.52249 10532.00705 6939.55077 8421.819692 10131.13034 3028.96955 12295.97095 9694.961436 6887.345175 13671.17443 4-hydroxy-3-methoxyphenylethanol 765.7657249 603.4179524 622.4105324 825.3391682 692.6371751 664.437659 967.5299985 797.7223336 846.9557696 733.8235151 7861.120469 4420.627784 12700.45804 2182.042718 1484.994599 3458.291343 5290.727892 5438.580535 5729.874537 2645.745677 6502.319828 5327.59835 5680.74931 5483.636057 5677.60351 6469.811048 3288.500739 11473.59875 2674.506567 4395.575873 6646.524795 9106.652062 5246.450374 15090.61879 10615.37579 12476.11444 15130.29633 8942.258981 5297.39377 11374.31821 hypoxanthine 5184.884522 6516.85516 5956.154917 7804.978833 5428.577448 6846.916642 3611.36979 5244.083674 6142.187573 6619.043448 27041.0698 14884.01316 30368.31161 25364.26653 24918.31258 26758.26815 30777.78537 23829.25146 14114.38189 14699.46624 27527.97933 22701.63556 38061.8694 15821.33614 18211.47621 18457.90457 12838.43755 15847.32901 18967.06526 15169.50496 14703.58591 15081.05029 20220.37427 11070.61887 12568.13819 12558.62806 13934.59106 15550.69939 12587.66311 11492.61754 indole 1097.250352 537.0026567 611.6360273 1218.646289 500.3814842 423.6622989 917.6137531 604.3093459 1281.184011 637.5853604 53.01933571 36.58735995 53.98218421 34.91350915 27.35246643 32.96399043 32.84456171 49.71890613 39.48028797 34.91306441 42.37127492 40.76500759 49.78244293 45.68679243 39.51324097 40.09853316 47.0506909 34.30618981 44.08577604 34.6224508 46.97101392 54.16616215 54.2351872 67.61330868 69.75425388 74.90505784 39.94231627 51.15798041 42.96217836 42.43887222 isophorone 1200.779215 1759.564269 1919.882981 900.3204118 1956.125176 2929.521967 1018.293007 2632.341885 1073.98872 1893.830102 11616.50878 12347.40869 9492.545707 11752.34361 12606.53488 13150.02328 20004.5225 10937.35473 10062.22016 13384.39528 9487.575331 7997.545649 12229.00903 8438.037259 9297.697486 10796.49364 7441.14569 14001.91793 7000.303743 7104.309345 9526.757792 7994.967065 9456.633893 7817.580727 10952.00514 10281.06584 11468.70623 9320.19015 10195.18835 7924.92869 kynurenine 9429.415709 10126.22339 12757.25445 6744.712609 8555.769046 7164.877459 3921.957168 8610.7179 12610.50176 12499.60504 1760.441868 1104.215733 1463.465711 888.7115378 757.6904867 1383.906375 998.0619146 1089.25595 1013.271792 961.8073116 700.1607298 547.6982755 1187.871291 980.8271448 669.1224121 782.7472246 1042.389611 937.5217968 762.5124141 635.3215703 953.7793887 936.5748682 1181.955116 1886.706081 1741.683944 2829.10192 1870.616273 1403.773333 788.122096 1512.571426 carnitine 4797.168612 4343.357297 4460.115666 5592.488467 5217.803195 5225.205181 5347.237633 4792.493178 4404.974595 5437.851556 3844.925424 5184.52431 3829.171029 5096.00206 6583.731627 4751.928913 5504.854235 4954.273188 3739.221782 5110.5238 3650.18633 4260.4076 3295.201891 3324.319005 3107.08234 3389.629519 5149.181767 3366.601735 3906.511168 3198.054659 1325.859766 1462.20624 772.333942 852.3963144 758.3299216 760.8737427 524.4531642 1313.953355 509.1010985 561.2947856 tert-leucine 103.2038276 85.00572193 98.6293271 109.677244 74.55505179 79.10786594 115.5911521 89.81228777 113.3578074 74.66506101 138.1934598 88.09361908 111.062544 116.3207895 112.3721194 132.4036135 132.7040773 138.3669955 140.1947165 124.1286389 162.9498428 297.7315797 184.067434 209.3878414 100.3078752 235.220413 204.1206833 161.2772859 127.9771123 151.9381556 160.0542981 123.1984385 117.3786926 164.4042804 151.6595146 125.1050135 171.7155541 96.49342006 121.2857796 158.0077738 lysine 5309.259079 3026.148124 2193.530495 7897.286728 2234.068225 2566.758826 7475.216951 2723.087332 5565.60609 4853.72292 5800.03449 3898.095334 4244.538409 2365.243592 7680.897228 4812.50433 4696.722031 5952.658178 5219.758217 8793.444094 4949.36856 7462.211394 6025.031697 5238.774111 6060.364563 6314.139065 6583.496588 5491.953274 6095.280082 5238.469864 6014.54066 5115.870651 8582.673321 8078.289664 6060.553951 9062.376203 5411.448604 6332.457265 6932.385523 4273.05364 maltose 33253.74162 34648.97696 40653.22437 39564.33036 30832.95704 60989.67214 35176.26062 43496.85526 21329.93209 29033.68018 54618.27401 52658.43272 51464.31713 104870.9697 54791.49219 48743.71205 52106.23382 54080.74012 44163.81695 72597.08095 72490.64049 44827.72114 64282.32587 40905.25763 40209.92647 47116.09368 49878.23818 42827.45111 45656.26296 46305.46982 92599.97525 55493.72573 43356.34432 47187.32422 53129.58505 23199.23756 64293.86053 51121.42643 44274.15043 85128.05184 mannitol 1993.16643 1685.74572 2332.33169 1747.164089 1668.442171 2462.356338 1094.507969 1859.638991 891.9919246 647.477552 2755.907347 2748.919698 2437.967833 3014.086891 1918.397267 1925.64522 2105.459542 2412.540432 2909.119826 3214.307828 6159.717518 1787.890054 3743.6951 1400.30816 1837.16072 2873.117996 1845.260169 3644.335438 2865.432045 3775.967288 5677.046578 4096.877264 5397.89203 3518.456182 4474.268236 1648.391724 2736.902181 4188.176783 3742.664748 3569.116672 methionine 11547.93086 10819.39917 15133.72236 12281.3674 9740.435047 12137.92455 7902.253386 9282.407331 11489.0495 9041.116679 8161.269514 6689.40972 8460.587175 6086.177598 6391.672816 7109.383573 5611.636113 6950.359164 5532.70442 5327.924023 7876.975941 8746.106801 10090.29942 8149.404364 8283.191962 7517.621897 6957.555872 9175.880077 12005.36943 8109.014226 7021.723233 7319.029417 7315.382995 7556.343782 8324.452122 11840.34914 6571.070362 7695.991756 5835.693587 4406.840069 methionine-methyl-d3 23656.39141 25587.56751 24441.30267 24988.47856 26967.03234 26370.92509 25543.38676 25399.85068 21599.47871 24447.11591 25472.64672 24836.36364 25720.92141 25801.63298 25276.88184 26026.03483 25969.6198 26394.95303 24385.19459 26137.333 27434.26672 31489.76556 27288.25063 30223.89795 26493.52209 26192.78832 24820.71986 26685.90215 28638.56791 29100.11736 26426.46749 24891.45444 26496.97528 27345.64656 25514.84658 26832.50332 27677.50234 24406.52936 26722.16811 25822.72669 5'-deoxy-5'-(methylthio)adenosine 2791.35599 1405.723025 2282.92185 2832.572136 2017.74136 2354.779789 2478.417087 2095.746179 2552.541018 2116.153565 3993.811384 4399.980827 3708.475261 4002.905228 3412.101488 6950.259579 3783.383905 4286.485576 2396.355365 2605.589363 5340.183739 3219.400111 14642.61136 7537.929003 4112.562181 4218.33145 2688.363823 5745.673548 5344.010819 2364.543922 5374.266194 9106.688464 5600.750922 5246.400371 6455.47483 7137.182988 5178.40051 7345.740736 4230.756571 4634.491234 methyltyrosinate 31827.04643 33132.75137 33020.28704 33227.14611 33910.16992 32047.61173 31947.43757 35504.98586 30350.5107 33091.5208 16890.81806 10114.9002 23931.20062 34911.10284 10831.71586 18589.56325 10465.05075 12374.38542 21763.02143 16948.77007 5539.223917 3990.052548 8419.189167 19064.72164 3900.671842 7800.890188 10018.92762 3989.836621 4063.961946 3330.939857 5665.305036 5720.410355 3837.580616 5737.973882 10794.16952 2595.958048 9074.505645 9652.289213 16792.9304 8026.20707 methyl oleate 4064.714356 2349.090753 3381.140086 2716.369026 2707.615191 4143.050507 4462.528467 3807.213827 4342.768982 4579.396947 3547.725647 3196.497359 4237.236078 4236.483964 3090.529497 3094.73906 2775.986145 3152.94229 3522.312167 2813.183044 7239.004489 4051.305405 3493.816547 5042.129103 3038.000569 4430.434761 4321.505738 2306.432033 2456.662023 2673.395625 3989.661929 4120.197899 3156.716805 4077.986444 4111.690482 3620.119248 2465.510156 3840.621796 2794.48534 4185.493765 N,N,N-trimethyllysine 7474.655394 3763.958812 5613.708691 7393.728302 5059.046615 4178.754114 7555.314133 5778.246646 8271.996393 7541.250919 1075.996269 825.8356626 1082.818519 595.4926652 607.2181717 1181.11227 1139.5523 1218.680013 1088.838214 1230.846144 1281.840586 1374.76363 1244.444602 1162.228282 1142.982698 1473.012541 1415.834405 1406.446748 1048.780619 1123.462939 1174.675307 830.9406684 1062.214652 1415.205123 1199.450954 1157.934105 1471.624642 1206.221059 1171.058753 1351.754873 N,N-dimethylguanosine 3756.6817 3857.929665 4334.903549 3284.828156 3473.618942 4418.584872 3841.803086 4847.684848 3596.375411 4276.568183 3103.378471 2668.49066 3343.743776 2648.508734 3063.073355 4399.644713 3602.045992 2892.925269 2202.380784 2154.341124 6740.745701 7196.252302 7695.967422 5128.362245 5552.964087 4044.510717 3853.033942 6146.827754 4542.073946 3726.714573 3543.245619 4644.381561 4191.320504 4573.387281 5333.670748 4229.779191 4998.348806 7396.953651 4697.594359 6282.431555 N2-methylguanosine 3265.892618 4518.700153 4526.204418 3354.375345 3762.872204 4339.60971 2507.064993 3778.246991 2244.784903 3408.823113 4090.329573 3601.412831 3316.292757 3621.278284 3451.603137 3393.514825 3666.572726 3165.939273 3601.682481 2836.064704 4538.201022 4394.686577 3788.446725 3277.132166 4185.30395 3911.555367 3373.599155 4674.170242 3203.682093 3477.149085 2959.580389 3666.290773 3021.595377 3736.402748 3992.838362 3522.643386 4304.887819 4988.043885 3325.244363 3354.920708 N6,N6-dimethyllysine 2928.159075 1029.078754 1529.1008 3565.195585 1286.111959 1019.398845 3387.454463 1451.079871 2254.771175 2079.210502 352.9041307 293.768223 338.7234871 223.5861717 162.8670284 316.4841841 288.1916058 407.3953743 258.1556372 360.3638589 520.9099285 673.3292634 571.2145539 411.8984516 496.462788 634.91139 655.4256973 536.3064055 243.1375236 475.5169012 408.7413922 260.4288952 491.3559335 559.2307378 434.4655986 461.2311859 655.3246058 380.6265105 353.8530442 581.5781916 N6-methyl-lysine 432.3732555 240.6332346 294.8626697 500.9064893 300.879379 239.6668499 428.2417564 338.336483 514.3710568 506.171487 55.52655311 53.88181404 76.3344047 21.40351509 28.10146625 43.26454824 48.85873435 42.78680722 65.77765619 62.79418604 66.2629202 88.65599726 63.4402822 57.76056429 62.95118515 82.76107989 81.32786662 75.13952331 56.4742491 54.51594489 61.23381491 34.95828283 49.74107411 54.66750152 46.72216175 49.92204638 58.04172107 53.80000094 45.06943405 67.05458912 N-acetyl-glutamic acid 5370.262794 2636.691264 3672.416011 4497.204937 4374.674899 5319.961726 6019.631828 5151.889896 5554.535977 4665.386811 7341.765161 6684.001465 8112.45934 7141.174356 5805.600112 7335.914305 5716.245506 5930.957079 4943.367591 5589.687784 4525.423465 3873.434549 5493.504715 4980.712855 4663.44725 5440.032122 5283.440554 4654.985722 4964.426434 4779.443371 5248.164986 6743.007367 6730.920992 8362.360814 7727.061038 8129.597501 7408.331007 7058.946308 6608.482758 6453.787766 N-acetyl-D-mannosamine 587.5607808 433.8784474 463.576184 563.8054932 492.8566129 530.7639167 682.3721746 535.5952471 624.935363 470.1525695 495.3203535 372.8888643 347.5219949 480.7515242 433.5724977 465.8447678 375.3701551 337.5450277 420.321398 442.130181 554.535913 522.0810375 573.5806135 414.9301314 480.8434202 489.1694694 405.4340602 411.4565772 457.8019115 477.5360785 518.4207145 453.5759036 551.5145724 446.5226188 590.4705919 368.2297122 452.5542165 474.7118212 363.2224115 635.889495 N-acetyl-5-hydroxytryptamine 124.5060332 169.8702187 129.3799775 81.98061293 175.1728657 151.6656395 179.9111004 199.5162072 163.9263024 151.3150855 213.0162372 212.6787186 252.6838906 255.2862881 306.0037765 272.9548569 314.7787416 457.7959556 209.735583 276.8521847 124.9880714 171.3014829 140.7994696 171.8890979 138.3693463 180.8075424 211.2983461 107.7645445 144.4716909 112.6255447 152.9546969 165.0084885 194.1541792 141.2125256 159.7382223 140.2446257 143.9327436 161.0530021 187.0589657 196.3198817 N-fructosyl isoleucine 5689.767208 1664.54963 4321.483448 2645.982005 3144.930752 4437.777784 2114.436173 3548.364306 1508.433295 3214.01152 8271.976427 3168.681071 3476.187627 4490.518404 553.7394116 3465.787422 3628.230393 3108.690224 2895.780058 3831.176384 5477.037414 5710.264158 5795.86775 5399.150132 3265.813634 5003.540604 5607.573836 4758.224289 5805.205901 2792.511448 7515.673353 9877.615201 7797.871954 6324.597132 5548.669031 5619.02086 3703.003397 4450.718721 5037.694683 5221.233183 N-fructosyl phenylalanine 3880.136327 948.5061939 2270.603904 2229.626784 2240.649573 2424.022868 1818.409421 3444.155884 1298.365902 2827.410826 1626.9563 653.7123621 748.6842619 970.7286432 147.2463754 709.3323433 661.3433049 850.7938838 657.3590837 1152.798248 924.9319992 1183.30885 1060.210073 970.9022712 659.9854 1286.191114 1252.592727 1075.117752 1017.733303 505.8607186 2025.987671 1698.611699 1872.570261 1835.437016 1386.910349 1248.800551 1083.367235 924.5097519 1154.869338 1312.631735 N-fructosyl tyrosine 2906.4458 671.1446349 1396.159282 1244.800939 1659.859666 1252.828294 1315.920159 1755.020899 1196.998597 1860.105224 697.4575032 315.4275061 265.8685033 344.8495081 129.8644356 407.1953874 374.1360498 349.2484621 302.4715611 395.3578642 517.2743743 543.1637675 574.4829504 627.0442485 390.1427025 547.346744 714.8514007 541.5075626 607.1915804 337.8400395 653.8738328 850.9832071 745.722321 699.6083603 677.3848392 666.8933123 423.0371933 565.3455072 567.2784714 581.3125884 nicotinamide 1006.034819 885.7766784 1288.541235 552.3322379 745.4742225 1305.632744 482.1797194 832.7265404 811.9813034 1365.900857 639.7003946 534.5830184 571.4321579 625.7947814 582.0081836 593.1963235 518.6475518 542.3756125 732.6443386 734.1982587 547.0712415 879.0428796 600.3079843 451.5183365 866.1372404 674.4902073 700.9733414 748.3710654 374.9630302 401.4300824 827.4728662 248.6724117 491.4273407 487.9536929 400.414962 574.9970941 844.7167423 355.8321804 240.6556103 346.8528303 N-methyl-L-glutamic acid 517.9248534 520.622434 414.9245725 539.5457608 411.6365032 804.8236506 448.2842115 455.0503635 582.1002445 410.893938 1858.086177 1699.149286 1890.241622 576.4536308 2567.910278 1714.660342 1960.077363 2161.362957 1774.604888 662.6012725 3678.528451 416.4035531 3365.628954 475.8350642 2603.727486 2332.052833 457.4746285 525.8639783 3184.843591 681.7072797 2896.814639 299.617783 2573.980388 1599.263256 2181.813611 355.4793894 366.6266743 2530.689812 335.3051499 1738.194739 N-omega-acetylhistamine 449.0440214 395.234499 395.4553516 702.8252053 492.4755804 490.9562924 511.0007131 518.0986942 598.0764071 487.3974679 957.5208633 678.5956452 1411.770336 1451.68493 1979.370553 1028.275707 1678.663513 871.3184477 2189.197112 1531.130246 4714.378785 10653.57505 5605.26865 5058.662804 2931.45571 8561.281857 6609.458633 3825.573565 4746.598946 5994.632482 2723.604315 3586.541029 3892.714663 5211.888624 3721.159229 4314.990935 8904.494802 3056.148784 5848.195913 6678.048618 norvaline 7520.81661 11251.36143 7882.482956 9429.432141 6388.294025 8895.666046 8347.281708 7692.056433 7891.009424 8317.934324 6716.130867 6244.917039 5725.366484 5264.233752 6501.596646 7897.452713 7033.787487 5118.560305 6075.674081 8340.584023 3295.312548 3519.641979 4016.501369 2483.036768 3711.16719 2288.388694 2905.361738 4272.056197 5699.107812 3635.28478 4570.914453 3869.791879 6605.12647 6525.366382 6727.986372 6078.863115 6120.412576 5857.321814 5523.122675 3890.424717 acetyl-L-carnitine 851.0128741 443.1234626 377.9500991 762.4748969 449.1721825 420.7503631 634.8409112 395.9846292 595.8829214 436.2634543 459.8994342 354.8744521 450.7135029 377.3063419 456.2752399 385.0596049 434.2524597 393.3013204 360.0519742 379.136245 789.8760453 1438.630814 553.2818392 754.0586513 704.6926649 1254.459809 761.2710327 719.7252217 707.5275367 876.9971023 517.2211616 586.0960847 370.1564126 369.4596844 466.5634848 362.1692861 293.3879184 274.6132929 255.8339114 347.3539462 octanoylcarnitine 177.7399254 203.0034275 216.9514082 67.93568625 121.9165253 383.1765862 75.41933397 224.9937672 58.31150897 202.9789118 1033.753775 2817.168135 848.9819433 3192.454628 3147.425585 3386.569536 3516.93728 3372.875964 1794.791408 1873.93601 1069.409253 1509.48102 1201.395451 5247.695797 1250.151853 1570.432843 2508.395755 2491.426914 1308.84718 374.1964421 772.6868894 1352.229703 422.8094615 751.2060303 608.6100669 1089.716898 1439.092263 1583.205781 1425.847515 578.1164111 phenylacetic acid 170.628925 311.9306773 265.416132 123.1766197 281.6799179 380.1853852 111.0269699 333.2298283 288.4643766 244.4437806 747.4117983 647.8529167 1027.695357 1099.766615 629.2451786 1453.116673 1343.98657 668.2602664 947.7134733 1421.767638 50.50911324 61.82651152 266.2894269 82.31720232 55.83937448 71.76989479 71.72858699 61.73770444 57.729163 42.47491736 47.14549175 60.93007842 50.64467162 56.57158574 62.37433373 43.42392491 66.08057403 81.65905906 46.88341384 81.12543652 2-amino-1-phenylethanol 170885.605 87205.57426 95090.05284 222793.5089 100802.3226 97637.13256 198227.1907 119118.4459 185625.5326 187655.062 39574.63598 23079.78934 33426.81089 25155.04093 27282.71134 28131.66889 23363.17116 31686.73553 26525.36036 34211.71981 18037.54951 28957.61511 28688.09172 23474.49841 25543.0269 27326.4696 30532.04314 29197.59267 33276.31234 24104.0321 31711.84936 24322.4436 34102.64459 43100.49297 38604.72461 36832.18867 32387.14462 30002.58183 25326.1869 28560.22019 phosphorylcholine 83361.38446 65463.20591 79902.48501 64665.22261 68134.86415 82895.10192 75199.75803 88002.27419 78564.17822 104370.2708 104501.0991 92505.12543 94538.35454 98014.11143 104004.3886 96059.06346 98101.33588 86823.50693 105378.5994 110240.0683 118941.3402 108271.415 102528.0731 125342.9169 101327.401 124321.6097 135473.1777 106182.2627 115352.3987 114446.7344 111972.9916 132978.3243 120211.0111 127930.6723 118745.6171 146812.507 113693.1863 136853.4161 110178.443 131728.4425 octopamine 33523.29149 13587.93401 14487.45444 62555.55046 22767.07449 17009.21098 54402.862 25547.07949 36309.14957 33271.22961 3968.541835 1769.995365 1724.709579 1989.883993 1329.841417 2299.839807 1803.024492 2426.921842 1991.30869 2426.984332 2353.780148 3317.447421 2369.695124 3187.711184 2428.017685 2806.305836 2877.471216 2661.585169 3808.289265 2284.185865 2317.003368 2470.588995 3001.153768 4496.81204 4335.442035 5496.322227 2881.523253 2922.71427 2187.690172 2221.100521 proline 48827.92504 64213.1197 60897.84615 78892.11086 74115.53555 82063.44391 57175.80955 60183.52084 50266.61237 44254.17775 123549.4779 128609.5953 112522.9689 130947.7737 132613.8308 132433.8906 134292.5508 137898.155 121001.3017 134302.7093 155361.7474 156262.1897 134600.0551 113888.2381 139314.9111 117587.9787 122638.9244 161465.0155 173067.6833 167155.4474 152415.0713 132275.7795 157550.4772 138505.9505 127094.011 109412.8635 136196.2253 123220.2392 148943.3537 117067.0719 pyroglutamic acid 3760.287304 4167.144708 2771.181018 3650.576325 3377.83098 3926.655453 3778.684777 3825.433928 3997.812453 2960.501577 3221.804959 3493.411302 2909.046853 2912.37544 2980.813767 3452.816163 3620.733627 3285.900188 2687.786016 3351.997446 3846.89976 4612.847305 3187.024856 4333.741255 3922.382093 3647.621739 4295.493218 5454.281626 4595.714155 5212.438031 4364.40078 3737.177243 3657.916642 3976.517639 4394.102157 5222.918782 4691.305354 3409.724655 3812.035704 3190.69356 S-adenosyl-methionine 1175.014894 734.8980941 978.6057321 1108.017805 902.0129546 917.5378763 1119.128675 828.9465878 1306.677235 954.4630903 734.363338 623.0151427 604.4460477 611.8286441 705.6864047 669.0550978 682.6147172 660.8516629 694.0514318 702.6886879 783.9708745 629.6284414 723.7450376 659.4482548 580.0535653 739.5418872 710.3355117 723.7120865 716.9242155 642.5573199 757.636019 651.471538 697.4655445 709.7044174 819.9046859 885.383747 664.0087767 809.6899756 633.4255784 748.9539833 serotonin 4365.171988 2539.992236 2460.482412 5081.777393 2133.955856 1719.404652 3693.75684 2373.600384 5140.301658 2711.374854 253.4589071 218.5245913 239.0007047 227.4169592 176.886649 217.1898961 186.2306572 228.264169 208.2311743 211.214987 175.3300085 193.2657194 242.7772655 209.8074094 177.9144227 208.3470167 216.6763084 237.6094466 240.4369251 190.8785758 245.7579956 277.5825425 258.5229954 330.6691821 317.4408147 374.9552527 235.5090536 250.2293632 199.9782543 229.5681517 sorbose 28343.32614 28085.48105 33956.67555 29988.28138 21089.8 50109.9044 22113.17731 33177.08076 14892.13792 16858.14382 41381.16152 41745.41048 31518.92275 86926.59721 44197.58573 25900.60524 34040.58186 34526.30209 31878.38089 61965.94179 79033.14986 37351.43665 61451.20181 35344.72819 23433.63889 43633.74769 39341.0881 43826.64142 43701.8556 43945.50786 86886.24908 34046.97126 39656.03101 32427.74007 38258.75439 20293.12891 43376.56285 34798.64034 36564.35815 77411.31607 spermidine 54.25027596 10.20321467 31.05962135 196.2573379 37.94780515 39.46538795 139.4017088 31.28463675 296.4872002 58.49549523 24.36898833 26.93997614 35.44062946 23.98901826 35.10676714 59.80942628 44.10321092 44.7781604 27.35978188 49.01890961 7.117689308 40.06801902 17.59083965 7.650866445 28.33777806 14.29769518 32.1621273 33.42927878 32.71697331 22.16097193 13.4825854 5.754373078 16.23992848 18.39828439 8.722096536 13.20652842 26.80758164 13.92974302 11.8900042 20.97655451 threonine 3139.200813 2357.572862 5052.950174 4262.51079 3220.874955 5775.771574 3547.280475 2318.333279 3507.437521 1618.947576 6989.530805 5690.347473 6457.851022 8044.722999 6518.029894 6811.329362 6501.990172 6980.372908 7655.193929 8280.770827 7588.91595 8005.878674 7649.39015 5428.826131 7073.486059 7160.96622 5113.548092 6864.081124 7577.33132 6268.028692 7627.278803 7175.913816 7429.079279 7425.773785 6245.91434 7618.319692 6679.965361 6173.111618 5781.239987 5311.19273 thymine 50.79061166 49.15591933 31.21996615 141.7330742 35.43925593 41.84787196 97.57341308 35.32482937 65.22379022 15.54987508 473.8192826 195.3030618 435.9925904 129.9560613 259.4075553 569.2489836 582.4413974 516.5734414 171.1245751 146.9856756 505.5220196 548.4465539 760.3416333 194.3258889 314.3354411 136.1837861 177.1650733 268.2192398 415.029778 197.0029518 213.615297 282.9573569 439.5667278 149.084807 288.5562645 219.8677327 406.5662263 371.0167391 386.9587762 383.8715157 thymol 55720.63571 70086.97167 70375.09205 35745.38993 60726.95827 64172.41435 34407.53224 66611.78646 41793.10457 51674.78879 60943.34058 70801.76982 63251.8663 62830.57863 68079.30496 75251.35832 79257.88897 60689.68343 43135.43033 65784.29087 70545.80963 63501.46526 84688.00992 92629.53071 78244.55041 55553.2823 74415.06136 87144.06485 120101.4462 80913.14321 69546.809 75825.57067 62822.66611 80140.40279 78272.35881 80585.10795 91992.68514 96024.53921 102456.0651 72264.5977 trans-4-hydroxy-L-proline 1252.056185 1196.040406 1123.206412 384.2571376 738.4460231 1592.758213 434.5677793 1292.440324 447.7363109 1061.821937 394.383302 192.9812738 213.5279017 277.9308864 270.1782531 341.6765589 223.9379039 327.8017631 259.4675179 230.6220952 231.2292877 227.925479 319.172817 210.2935819 251.6786325 190.944692 248.2321753 287.0092868 340.3475446 239.6737807 248.0441317 226.0681035 261.6199644 347.3198289 305.2944715 338.2879138 344.1618636 269.0439251 212.4098417 336.8007638 tryptophan 107573.3894 69955.36404 64616.12476 130883.0801 60543.60745 46079.4727 91206.75594 62483.04078 130430.6423 68387.56329 7588.758202 5776.242532 6479.981988 5879.228835 4758.274789 6377.774929 5044.194652 5899.061243 5842.242152 5781.284455 5346.80649 5612.757575 7057.76982 6312.580519 5471.203635 6027.181692 6846.032803 6902.975783 6668.142037 5671.184193 7086.420302 7469.422621 7992.777703 8981.752831 8785.882413 11037.54545 6751.043151 7381.602614 6116.116895 6993.125114 xanthommatin 4703.445544 6060.08531 12505.84876 12018.94831 16487.70381 16764.76078 12427.16757 13533.74517 13388.528 10482.28342 17960.50106 13938.56113 17274.90846 12571.82444 7278.668502 10823.63244 11023.63413 11650.63731 11634.86237 6303.97496 24002.88508 24636.93739 26913.06814 10750.70608 19910.60879 17359.76759 13053.99407 18508.76555 21905.67414 17336.56802 15991.46198 13755.10665 17278.82041 12284.71581 8939.522399 13983.2037 15521.60879 15821.1846 18586.43059 16776.59632 metabolite_name methylpiperidine-2-carboxylic acid carbamoylpyrrolidine-2-carboxylic acid methylguanosine methyl-L-histidine phenylglycine 9(R)-hydroxydec-2(E)-enoic acid E-9-oxodec-2-enoic acid 10-hydroxy-2-decenoic Acid 3-hydroxy-DL-kynurenine glycerophosphocholine saccharopine acetylputrescine methylindole cinnamaldehyde hydroxycaprylic acid phenacylamine acetylhistamine estragole delta-octanolactone adenosine alpinetin methyl ether L-arginine monohydrochloride beta-nicotinamide adenine dinucleotide E-3-(4-hydroxy-3-methoxyphenyl)-prop-2-en-1-ol caffeine 13C3 cuminyl alcohol dopamine D-phenylalanine-d5 ferulic acid-d3 fructoselysine galactosamine gamma-aminobutyric acid gamma-glutamylglutamine gamma-glutamylphenylalanine gamma-glutamyltyrosine glutamic acid glutamine glutathione (oxidized) guanine dopamine quinone PS(18:0/18:2) 20-COOH-leukotriene E4 hydroxyprolyl-valine 2,6-nonadien-1-ol L-2-amino-5-hydroxypentanoic acid octenoic acid isoscoparin 2''-(6-(E)-ferulylglucoside) 3,4-dihydroxydecanoylcarnitine proline, 1-acetyl-4-hydroxy-, cis- ethylcarboxamidoadenosine p-menthen-1,2-diol planteose 4-hydroxy-3-methoxyphenylethanol hypoxanthine indole isophorone kynurenine carnitine tert-leucine lysine maltose mannitol methionine methionine-methyl-d3 5'-deoxy-5'-(methylthio)adenosine methyltyrosinate methyl oleate N,N,N-trimethyllysine N,N-dimethylguanosine N2-methylguanosine N6,N6-dimethyllysine N6-methyl-lysine N-acetyl-glutamic acid N-acetyl-D-mannosamine N-acetyl-5-hydroxytryptamine N-fructosyl isoleucine N-fructosyl phenylalanine N-fructosyl tyrosine nicotinamide N-methyl-L-glutamic acid N-omega-acetylhistamine norvaline acetyl-L-carnitine octanoylcarnitine phenylacetic acid 2-amino-1-phenylethanol phosphorylcholine octopamine proline pyroglutamic acid S-adenosyl-methionine serotonin sorbose spermidine threonine thymine thymol trans-4-hydroxy-L-proline tryptophan xanthommatin