metabolite_name SPIN_5pos_T21_1-L15-158 SPIN_5pos_T21_2-L15-171 SPIN_5pos_T21_3-L15-188 SPIN_5pos_T21_4-L15-189 SPIN_5pos_T21_5-L16-010 SPIN_5pos_T21_6-L16-026 SPIN_5pos_T21_7-L16-038 SPIN_5pos_T21_8-L16-057 SPIN_5pos_T21_9-L16-058 SPIN_5pos_T21_10-L16-065 SPIN_5pos_T21_11-L16-076 SPIN_5pos_T21_12-L16-077 SPIN_5pos_T21_13-L16-116 SPIN_5pos_T21_14-L16-127 SPIN_5pos_T21_15-L16-128 SPIN_5pos_T21_16-L16-234 SPIN_5pos_T21_17-L16-241 SPIN_5pos_T21_18-L17-074 SPIN_5pos_T21_19-L17-095 SPIN_5pos_T21_20-L17-132 SPIN_5pos_T21_21-L17-145 SPIN_5pos_T21_22-L17-153 SPIN_5pos_T21_23-L17-160 SPIN_5pos_T21_24-L17-191 SPIN_5pos_T21_25-L17-192 SPIN_5pos_T21_26-L17-194 SPIN_5pos_T21_27-L17-201 SPIN_5pos_T21_28-L17-211 SPIN_5pos_T21_29-L17-226 SPIN_5pos_T21_30-L17-236 SPIN_5pos_T21_31-L17-245 SPIN_5pos_T21_32-L17-291 SPIN_5pos_T21_33-L17-293 SPIN_5pos_T21_34-L17-300 SPIN_5pos_T21_35-L18-007 SPIN_5pos_T21_36-L18-022 SPIN_5pos_T21_37-L18-029 SPIN_5pos_T21_38-L18-030 SPIN_5pos_T21_39-L18-042 SPIN_5pos_T21_40-L18-051 SPIN_5pos_T21_41-L18-059 SPIN_5pos_T21_42-L18-061 SPIN_5pos_T21_43-L18-062 SPIN_5pos_T21_44-L18-087 SPIN_5pos_T21_45-L18-100 SPIN_5pos_T21_46-L18-113 SPIN_5pos_T21_47-L18-133 SPIN_5pos_T21_48-L18-152 SPIN_5pos_T21_49-L18-171 SPIN_5pos_T21_50-L18-275 SPIN_5pos_D21_51-L15-181 SPIN_5pos_D21_52-L15-195 SPIN_5pos_D21_53-L16-009 SPIN_5pos_D21_54-L16-033 SPIN_5pos_D21_55-L16-048 SPIN_5pos_D21_56-L16-056 SPIN_5pos_D21_57-L16-086 SPIN_5pos_D21_58-L16-087 SPIN_5pos_D21_59-L16-107 SPIN_5pos_D21_60-L16-145 SPIN_5pos_D21_61-L16-146 SPIN_5pos_D21_62-L16-153 SPIN_5pos_D21_63-L16-202 SPIN_5pos_D21_64-L16-208 SPIN_5pos_D21_65-L17-032 SPIN_5pos_D21_66-L17-090 SPIN_5pos_D21_67-L17-125 SPIN_5pos_D21_68-L17-131 SPIN_5pos_D21_69-L17-170 SPIN_5pos_D21_70-L17-207 SPIN_5pos_D21_71-L17-210 SPIN_5pos_D21_72-L17-235 SPIN_5pos_D21_73-L17-246 SPIN_5pos_D21_74-L17-274 SPIN_5pos_D21_75-L17-276 SPIN_5pos_D21_76-L17-292 SPIN_5pos_D21_77-L18-020 SPIN_5pos_D21_78-L18-021 SPIN_5pos_D21_79-L18-028 SPIN_5pos_D21_80-L18-044 SPIN_5pos_D21_81-L18-098 SPIN_5pos_D21_82-L18-130 SPIN_5pos_D21_83-L18-162 SPIN_5pos_D21_84-L18-170 SPIN_5pos_D21_85-L18-197 SPIN_5pos_D21_86-L18-205 SPIN_5pos_D21_87-L18-238 SPIN_5pos_D21_88-L18-302 SPIN_5pos_D21_89-L18-303 SPIN_5pos_D21_90-L18-314 SPIN_5pos_D21_91-L18-342 SPIN_5pos_D21_92-L19-006 SPIN_5pos_D21_93-L19-007 SPIN_5pos_D21_94-L19-014 SPIN_5pos_D21_95-L19-015 SPIN_5pos_D21_96-L19-016 SPIN_5pos_D21_97-L19-032 SPIN_5pos_D21_98-L19-065 SPIN_5pos_D21_99-L19-080 SPIN_5pos_D21_100-L19-114 L-alanine 1751504.00 1179981.00 2127683.00 1094451.00 1490056.00 2009126.00 1392124.00 1281653.00 1557715.00 1971110.00 1529688.00 1754870.00 1657256.00 1668104.00 1213043.00 1639178.00 3439447.00 1533981.00 1299444.00 1593206.00 2063658.00 1166730.00 2170470.00 1906100.00 1576106.00 2855705.00 1564271.00 2357084.00 1647470.00 1540676.00 1502502.00 1511624.00 2202874.00 3097189.00 1494486.00 2016463.00 2103053.00 1630824.00 1654970.00 1406034.00 3046457.00 1578926.00 2235804.00 1673059.00 1791373.00 1595378.00 2146046.00 2100029.00 1346064.00 1963338.00 1449036.00 1954519.00 2270189.00 1419309.00 2014594.00 2864154.00 1994932.00 1718212.00 2158060.00 1740706.00 985137.20 994902.60 2731121.00 1578313.00 2241865.00 1788052.00 1651830.00 2230146.00 1984192.00 2405993.00 1793402.00 1026220.00 2245258.00 1454983.00 1660367.00 2030241.00 1412439.00 1853125.00 2108823.00 1085536.00 2617913.00 2691309.00 2655690.00 1912046.00 1707392.00 2131751.00 1561841.00 1732972.00 1991134.00 2350711.00 1308824.00 1302358.00 1842821.00 1345629.00 2118028.00 1489986.00 1426434.00 2238671.00 1895837.00 2011976.00 L-arginine 950543.80 1236904.00 1175697.00 1429068.00 1684717.00 1313183.00 1026911.00 1215960.00 1642347.00 1839506.00 1563145.00 1660539.00 810878.00 1631363.00 1180495.00 1361321.00 1923179.00 1317894.00 1240885.00 1206767.00 1685205.00 976159.30 2164152.00 1728552.00 1143808.00 1438328.00 1016629.00 1147144.00 1712179.00 940231.70 1776687.00 1091668.00 1301036.00 1389945.00 1749928.00 1462730.00 1108947.00 1841616.00 1559376.00 1376232.00 2078750.00 1516249.00 1166513.00 1108957.00 1176633.00 992532.10 1489902.00 1891354.00 1446628.00 1522635.00 1498285.00 1162358.00 1579371.00 1541641.00 1637097.00 1686975.00 1264494.00 1251618.00 2493358.00 1795068.00 1273879.00 1379355.00 1691602.00 1317896.00 1171180.00 1174781.00 1317388.00 2016237.00 1860331.00 1620850.00 931900.60 1112308.00 1981333.00 1368980.00 1485301.00 1742756.00 1894801.00 2037575.00 1201410.00 1263831.00 1833120.00 1069842.00 1768250.00 1065459.00 1226014.00 1448693.00 1734314.00 1855500.00 1546484.00 861537.80 1292844.00 1653351.00 1562481.00 1501250.00 1428229.00 1485777.00 1441997.00 1337478.00 1352777.00 1536848.00 L-asparagine 75146.13 79075.54 84312.49 92369.07 98019.25 67118.25 86827.80 51238.09 94279.38 74311.45 64221.08 81662.45 76848.59 75998.08 63737.79 78387.98 132740.90 89543.90 51214.92 66850.04 85748.82 28209.89 72742.51 110137.20 39722.69 68019.62 78713.41 76062.65 74652.84 107273.00 47419.58 66844.21 81325.09 118544.90 34070.08 87591.21 76878.76 69019.23 71633.88 52144.22 128775.20 74944.49 62578.50 83186.04 60423.38 61701.18 80506.65 65356.54 70987.19 57610.61 98750.27 77989.32 104848.80 78817.37 63592.70 122035.80 69316.20 87960.16 73226.98 80138.30 44827.81 157034.10 88297.77 77997.46 111018.60 111388.20 113578.20 109581.80 57411.36 55186.77 73317.70 50003.06 86735.65 70027.24 91215.19 68296.55 129433.20 101491.40 71465.93 59073.57 85471.16 69442.70 114698.80 94657.19 110330.60 71654.54 111594.10 99107.15 77063.65 93616.81 49961.46 91344.21 54262.66 79681.90 61752.03 48236.81 109486.70 65804.07 58071.18 116210.30 L-glutamate 446281.50 350255.70 302216.50 493043.60 846580.90 258945.60 484663.00 375418.20 344894.90 146256.40 298958.80 274376.30 341390.60 377301.80 265669.40 452871.50 298513.90 292764.80 648185.70 374577.20 706890.30 348573.50 322165.20 498525.90 424012.00 319142.40 379157.30 451058.50 227102.90 566348.70 342200.50 333843.10 365930.00 320534.70 376958.70 474366.80 346562.60 418969.00 234588.80 507654.90 306869.10 304661.90 567043.90 301465.90 319520.80 357273.70 356613.00 350194.60 332438.80 287042.80 434660.90 387395.00 651973.10 525657.80 413838.70 460523.20 588904.30 488385.70 305354.80 408873.10 751777.70 671531.10 491986.30 456267.80 496584.10 644871.10 358012.60 478534.90 461789.50 387202.10 467566.50 613677.40 572259.60 585096.80 324518.80 212665.80 541845.40 602169.60 498615.50 808817.50 509762.60 411693.60 387633.80 428339.80 460310.80 408228.40 445214.50 557128.20 516287.80 454625.60 517920.50 464786.50 425732.50 659759.30 371631.30 571433.20 592656.80 373108.70 480743.80 748218.80 L-glutamine 20894670.00 15147850.00 21831430.00 16275650.00 17965230.00 21041470.00 20172690.00 14801550.00 18558430.00 19984630.00 20488330.00 21402830.00 15296180.00 13337490.00 20821490.00 19849230.00 21956370.00 16760730.00 14360640.00 15543500.00 21277710.00 15368890.00 20780970.00 14597080.00 16291290.00 20970730.00 18991170.00 19488180.00 16695240.00 20408190.00 15931220.00 14934630.00 16145290.00 24460600.00 15017450.00 22108180.00 18808320.00 15003740.00 22856760.00 15752360.00 24875840.00 20122280.00 22262810.00 14946060.00 19130770.00 17719030.00 22275080.00 18148500.00 24930770.00 16002040.00 16598880.00 23763460.00 22186130.00 20245190.00 18034090.00 23923750.00 17644020.00 17958300.00 16587000.00 18230170.00 19224320.00 15643880.00 21586770.00 15612860.00 18095870.00 18453740.00 14627450.00 22863970.00 18283130.00 18366340.00 15028490.00 14289510.00 20064390.00 16867330.00 14858510.00 17441650.00 14672350.00 17820390.00 18224610.00 15561930.00 18802430.00 17906880.00 16590830.00 22078070.00 22896920.00 17986100.00 14209640.00 17937970.00 20429480.00 17405110.00 16937880.00 17188650.00 17635190.00 19774270.00 15789630.00 17891580.00 13842290.00 18679180.00 23654400.00 14942930.00 L-histidine 536091.30 444781.20 639062.90 433504.30 501659.80 639414.70 647040.60 466070.40 544871.20 506555.00 598206.90 593686.30 451438.50 427237.00 602168.20 589288.10 654989.10 477044.50 518299.80 488609.00 655513.20 465078.60 748241.70 579017.80 546868.80 555949.30 663982.30 752069.80 633462.50 563503.80 538727.30 514226.70 479249.80 512888.90 524508.30 665197.80 616849.60 560306.10 614100.20 327728.70 780523.20 689963.40 522472.10 515769.50 500596.80 518736.00 564286.50 677153.90 729345.70 556570.20 380033.90 495374.50 576975.30 532771.50 605319.60 650175.80 423399.70 543062.60 539713.40 571920.00 557142.10 565062.30 579231.50 449250.80 388686.10 527184.60 503677.70 735182.60 476795.00 427468.20 449277.60 411024.80 621617.40 536381.40 313359.30 437632.00 703813.10 662642.10 550863.20 519635.10 651253.00 504362.70 516190.00 483022.70 645283.20 489905.40 567837.30 918160.00 550443.10 572552.40 579324.60 493248.40 365516.50 469611.40 546423.90 436481.80 515275.70 405033.90 617231.70 618417.20 L-leucine 11054650.00 9105933.00 12778640.00 10123340.00 10329450.00 9798280.00 10319890.00 5801418.00 8931183.00 9415100.00 11010060.00 9500012.00 12324700.00 12074140.00 7971376.00 9506525.00 16931500.00 9736320.00 7552486.00 15062180.00 11816260.00 9086261.00 15629400.00 18321500.00 11114240.00 15132010.00 7429056.00 14132400.00 12050860.00 9931007.00 10139390.00 10790260.00 11327940.00 15722330.00 10463080.00 15571280.00 11225260.00 10334630.00 12823680.00 7870916.00 19396960.00 10627770.00 11704340.00 12670800.00 11466380.00 8815909.00 11082880.00 12623960.00 9712553.00 15218460.00 7900932.00 10691750.00 18176090.00 9585507.00 15710700.00 11006370.00 17537090.00 11698600.00 13357630.00 7983492.00 6892902.00 8561263.00 19912380.00 8669335.00 17631060.00 12344620.00 10248230.00 13279860.00 13469190.00 14370700.00 12465140.00 6736344.00 14756050.00 12530300.00 14882390.00 22014210.00 10611750.00 8752963.00 12861850.00 11825960.00 16464780.00 14006520.00 15398080.00 14329690.00 12075390.00 10611980.00 11302340.00 15134190.00 15917870.00 11628140.00 8805691.00 10133720.00 8907234.00 10069900.00 15722430.00 9166203.00 9979649.00 13325960.00 11490990.00 13202220.00 L-lysine 2316905.00 2173163.00 2529682.00 2705681.00 2220046.00 1613556.00 2663497.00 1498877.00 2772816.00 2673018.00 2731024.00 2226848.00 2446285.00 1685885.00 1727735.00 2906765.00 3911501.00 2359752.00 2300093.00 2666359.00 3478344.00 2644703.00 3168684.00 3414365.00 2591588.00 3496668.00 2235834.00 3391765.00 3711297.00 2208476.00 2087486.00 3775531.00 2704104.00 2358840.00 2234794.00 4516868.00 3278680.00 3250479.00 3804373.00 2428106.00 4992979.00 3383629.00 2454134.00 3352810.00 3626278.00 2432326.00 2751078.00 2932275.00 1982995.00 3887951.00 1477691.00 1554779.00 2932682.00 2798121.00 3511942.00 2313607.00 1982596.00 1657611.00 2148337.00 1735675.00 1877803.00 1393661.00 2967835.00 2274479.00 3251789.00 2919368.00 1876576.00 2489279.00 1775462.00 2494175.00 3005339.00 1762928.00 2969326.00 1930175.00 2672064.00 1922686.00 1475341.00 3000907.00 2634110.00 2640877.00 2372193.00 2349248.00 2961859.00 3243213.00 3329800.00 2376668.00 2618536.00 3305071.00 2265090.00 2346366.00 1875096.00 2825267.00 1683694.00 2421836.00 2463339.00 1856197.00 2196482.00 2669329.00 2098843.00 3339566.00 L-methionine 1297386.00 993738.30 1906644.00 1248708.00 1672365.00 1357603.00 1328002.00 941612.60 1502486.00 976440.00 1795241.00 1299742.00 913495.30 1160284.00 1070816.00 1387608.00 2574578.00 1369205.00 1122284.00 1779204.00 1603875.00 947706.30 1826120.00 2150418.00 1386919.00 2050390.00 1278562.00 2374709.00 1206984.00 1756554.00 1266999.00 1105713.00 1633382.00 2112635.00 1574102.00 1973475.00 1384628.00 1472082.00 1357160.00 1089181.00 1752332.00 1353556.00 1651354.00 1302338.00 1327208.00 1223258.00 1371972.00 1847923.00 1610584.00 1355633.00 1128347.00 1290127.00 1771556.00 1040919.00 1730016.00 1789299.00 1451470.00 968359.70 1369155.00 1329894.00 967284.20 1012000.00 1975004.00 1118150.00 1697206.00 1662003.00 1307880.00 1945711.00 1437640.00 1251892.00 1303490.00 783281.60 1505832.00 1345634.00 1014735.00 1775038.00 1310222.00 2440438.00 1279621.00 1389112.00 1476234.00 960810.50 1659506.00 1226057.00 1572513.00 1543420.00 993077.20 2201381.00 1575970.00 1045503.00 951091.70 1386066.00 1149244.00 955664.80 1354468.00 767942.70 1233631.00 1393366.00 1181230.00 1253256.00 L-phenylalanine 2303049.00 2216780.00 3011195.00 2639340.00 2328291.00 2909945.00 2159003.00 2143593.00 2428262.00 2325093.00 3711540.00 2731377.00 2202604.00 1898715.00 3318852.00 1930488.00 3393659.00 3053097.00 1949484.00 2405997.00 1821857.00 1893736.00 3287243.00 3102928.00 3170134.00 3109421.00 2460982.00 2826963.00 2850789.00 3091537.00 2372440.00 2293828.00 3453329.00 3678617.00 2688031.00 3160974.00 2945011.00 1643884.00 2656211.00 1644991.00 2597688.00 2453761.00 2252055.00 2262469.00 2712514.00 2249660.00 3188957.00 3654756.00 2614788.00 2660516.00 2208585.00 2592206.00 3253931.00 2703817.00 1903270.00 2860538.00 2662730.00 2614220.00 2623268.00 1967832.00 2388998.00 1848366.00 3175775.00 2011852.00 2507750.00 2454016.00 2705387.00 2667615.00 2715967.00 2755251.00 2272234.00 1956424.00 2490290.00 2423854.00 1686801.00 3484191.00 3223455.00 3043139.00 2724494.00 2542212.00 3441268.00 2343206.00 2719899.00 2482194.00 2913590.00 2520094.00 2452176.00 3750188.00 3896544.00 2124712.00 2136448.00 1938914.00 2555757.00 1735447.00 2262398.00 1603696.00 2171706.00 2492709.00 2382694.00 3101656.00 L-proline 853982.40 552094.50 787344.20 1154772.00 593957.40 822079.70 651664.20 622667.50 752254.60 776093.70 764985.90 762743.10 526141.10 995384.50 978114.90 563863.60 1425434.00 567394.00 626108.20 1267777.00 1129464.00 926756.30 798804.80 928031.00 657499.80 709254.90 579316.00 1427049.00 759296.80 727657.60 809460.30 839437.30 1082132.00 1000212.00 754826.80 1311918.00 579045.90 609213.30 442506.20 535535.20 946754.00 822140.80 805499.30 612637.80 840777.00 860006.90 1015092.00 867978.00 827364.70 1101819.00 553555.90 698519.80 939091.50 492165.80 660856.00 653633.80 709572.80 699311.90 579084.00 561978.90 617670.40 649072.70 1163929.00 823793.00 566625.30 612327.10 844944.00 743897.20 978777.20 714303.50 800102.70 564956.70 913741.50 910917.80 625858.00 1270404.00 881295.10 548461.90 849696.80 1081440.00 896535.40 1097917.00 1093359.00 477963.20 603094.30 496513.50 919639.50 762324.60 816302.00 767367.60 1014496.00 550543.90 782875.10 652378.20 521422.60 546724.30 615820.40 708510.80 733603.20 729600.40 L-serine 245934.20 178759.00 203120.50 164168.90 194287.70 187850.90 204474.40 142573.30 153512.70 219334.60 131368.20 191875.20 119527.90 133829.80 129288.80 182763.10 236515.30 147793.20 168808.90 143782.70 157033.00 141488.70 197341.90 165170.60 110341.60 248256.50 141943.40 227661.90 139535.10 150505.10 150493.20 119393.50 161053.20 287573.00 141178.00 191444.40 170025.10 158560.70 157699.50 147573.70 178500.10 167102.50 192268.30 129595.50 192697.30 170204.50 154248.20 185631.10 143348.40 166798.60 154354.60 211843.40 117507.80 135189.00 198801.90 183768.40 120692.50 170423.70 104575.80 149578.00 208005.00 137921.10 227806.00 138507.60 148816.30 169642.60 154049.60 191903.20 199775.30 202466.30 159679.20 154042.80 189637.20 131557.30 174438.80 165197.40 145090.50 183564.60 116450.30 143040.20 133857.10 140863.60 136515.40 169833.90 156275.60 155632.20 103148.60 136087.90 173430.00 165429.10 150482.70 160790.10 156966.50 150992.50 133945.50 158990.30 168743.80 162521.80 189881.20 162751.20 L-threonine 1096201.00 939679.20 1331114.00 825629.70 1095042.00 933367.50 982754.20 851855.50 1100798.00 1463076.00 1218010.00 1860644.00 604075.20 963141.30 647667.70 1263738.00 2296974.00 793401.70 814205.80 1137210.00 1438090.00 791216.20 1682264.00 1012730.00 1277469.00 1697180.00 1157465.00 1832967.00 1525136.00 1096970.00 949285.00 846200.00 1211081.00 1794455.00 1179768.00 1087284.00 950610.80 1160041.00 1321793.00 668849.50 1776059.00 1133988.00 1514887.00 899504.20 1620533.00 1010749.00 1303998.00 1254088.00 1362188.00 1275117.00 1105746.00 1475982.00 1573829.00 1172396.00 1665655.00 1763560.00 975059.40 961483.30 1092670.00 1367390.00 1258717.00 810399.70 1944611.00 1030796.00 1933171.00 1423716.00 853335.60 2007879.00 1669590.00 1067696.00 1086646.00 805718.50 1482716.00 1111965.00 954419.30 1733824.00 731389.20 1277452.00 1147478.00 885948.50 1296015.00 1381405.00 1335403.00 1114545.00 1724869.00 1476981.00 880396.70 1248976.00 1515299.00 1112080.00 1377426.00 1245718.00 1432852.00 804486.90 2442467.00 1192972.00 962137.70 1232697.00 896596.10 1097709.00 L-tryptophan 4885535.00 7084628.00 5694200.00 6860068.00 8071552.00 5698540.00 6638288.00 4790502.00 5293218.00 5557784.00 8384632.00 4525224.00 5984282.00 4505948.00 8670649.00 6134974.00 8875431.00 9210879.00 5123302.00 6547320.00 8695413.00 6017646.00 10149360.00 10262400.00 11594730.00 10835650.00 7966452.00 11431120.00 6783738.00 6310682.00 7412838.00 4690094.00 9559679.00 7941040.00 6135084.00 8997657.00 5850494.00 8417112.00 6510816.00 6153226.00 8371348.00 5594470.00 7924884.00 9893032.00 8273842.00 8307942.00 6319910.00 8271198.00 6050396.00 9942211.00 6355476.00 4815776.00 7969720.00 5403242.00 7574426.00 8478665.00 4826700.00 4311290.00 5816314.00 5137596.00 7681536.00 4780282.00 8582424.00 4172585.00 8473771.00 8159676.00 5310120.00 13777460.00 5199254.00 5302262.00 6015166.00 4397938.00 9041106.00 6609498.00 7159948.00 9250239.00 5920066.00 7331748.00 8226986.00 7344356.00 6453792.00 4514246.00 7594584.00 6919242.00 6655510.00 6495854.00 4925048.00 9123264.00 5380970.00 6963212.00 6375878.00 5928940.00 4957397.00 4556014.00 8244710.00 5568662.00 5969966.00 6188182.00 5192856.00 7014352.00 L-tyrosine 2476184.00 1896395.00 3310657.00 2328173.00 1909149.00 1779978.00 2310349.00 2266158.00 2477046.00 1513436.00 2654218.00 1882974.00 1806762.00 1662549.00 2379078.00 2231355.00 3924515.00 2863151.00 1735546.00 2657555.00 1947829.00 1926366.00 2978403.00 2713425.00 2796064.00 3042124.00 2119023.00 2727154.00 1818494.00 2993168.00 1562101.00 1626445.00 2993689.00 3288685.00 2250662.00 3667186.00 2437427.00 1850831.00 1773476.00 1477516.00 1987734.00 2390148.00 2618645.00 2339093.00 2412375.00 2357741.00 2514951.00 3128073.00 1937497.00 3409148.00 1712938.00 2497098.00 3120033.00 1826564.00 2289485.00 2816561.00 1919906.00 1768776.00 2294775.00 1995912.00 2192168.00 1529565.00 2925528.00 1930500.00 2507617.00 3152576.00 2339857.00 2051776.00 3560884.00 3891228.00 2411578.00 1998111.00 1910880.00 1946164.00 1911166.00 4702348.00 2829307.00 3708918.00 2838372.00 3422689.00 2147247.00 1677163.00 2541929.00 2422737.00 2030239.00 2320407.00 1971496.00 3094537.00 3541219.00 2340954.00 1144396.00 1713712.00 2282728.00 2215641.00 2193066.00 2005840.00 2013037.00 3968536.00 1895879.00 2427407.00 L-valine 15515780.00 9881193.00 16629790.00 23996910.00 10552890.00 9706283.00 12526730.00 8091046.00 11116020.00 14589410.00 13790950.00 14852910.00 14096770.00 9062193.00 20241260.00 12783000.00 19117680.00 12654630.00 9322904.00 16411470.00 13928200.00 10122840.00 20718470.00 20767770.00 10245100.00 15476000.00 9904461.00 19659650.00 14141070.00 10988380.00 11437660.00 13070700.00 15763640.00 21915400.00 10632630.00 19307790.00 10321580.00 10769920.00 14038690.00 11936840.00 20821040.00 12991740.00 13190710.00 16532920.00 18156260.00 15575440.00 13001650.00 14922050.00 11999860.00 16703320.00 10401970.00 12443670.00 14072940.00 10370090.00 17138550.00 12388360.00 13811100.00 10605800.00 11276050.00 13338030.00 10245260.00 11599480.00 21652470.00 9316727.00 13158200.00 13202260.00 11530110.00 11249450.00 13511100.00 13753360.00 13048040.00 7832782.00 15114980.00 13589260.00 12487210.00 21212530.00 11859170.00 10310560.00 13496700.00 12072590.00 19186410.00 11523520.00 15210110.00 15907220.00 13374820.00 12885110.00 13076150.00 15273990.00 9016319.00 12022220.00 6664010.00 9784795.00 13927320.00 12426540.00 14125450.00 6994742.00 10943080.00 11168570.00 13314560.00 14533660.00 L-cystine 22875.88 20412.17 14252.61 13376.24 45126.39 27204.90 25022.06 24483.81 22406.63 25594.67 26880.37 41386.32 28306.02 23795.52 36295.92 20697.24 26704.27 26826.79 37028.44 28654.06 39800.37 13354.79 31341.97 31392.77 23201.94 11033.70 38869.39 49146.19 9556.30 44025.70 31880.41 40650.32 35536.35 24116.54 41986.15 25411.94 31080.84 19628.61 12165.30 20356.38 26820.84 28973.23 34613.57 32851.24 31778.10 34201.67 27910.51 8032.82 30661.11 7071.13 32379.94 27443.81 44604.27 60282.01 30388.87 35819.61 32320.01 42852.45 16028.06 17991.55 41134.62 40715.83 39314.12 20605.34 39132.33 29928.18 11493.42 34056.89 45120.17 28827.55 37524.16 41165.99 25602.32 52054.79 47750.29 22165.05 41135.72 30198.04 32921.93 19400.63 48193.27 44311.17 29217.98 22222.86 45343.62 18765.52 36018.16 19388.21 35879.04 39892.02 40257.00 33949.29 20607.97 39536.67 26202.94 9817.98 11555.00 39141.10 37557.24 35997.20 Hypoxanthine 1673536.00 1273274.00 1250483.00 1400795.00 1790116.00 1755738.00 1915243.00 2060758.00 1569937.00 1566526.00 1522646.00 1317627.00 1315617.00 1219827.00 1098111.00 1500757.00 1366585.00 1651370.00 1749932.00 1780966.00 2025110.00 1137189.00 1201264.00 1164894.00 1429633.00 1542535.00 1378535.00 1483097.00 826688.60 1888651.00 751434.90 1231797.00 1295164.00 1236893.00 1589523.00 1622709.00 1161833.00 1322672.00 1168920.00 1687654.00 1163594.00 1330444.00 1408689.00 1621407.00 923423.80 1675256.00 1922257.00 1482314.00 1620560.00 1418811.00 2157074.00 1376825.00 1024867.00 1101496.00 904486.70 706196.40 1392736.00 1132694.00 1072689.00 1370017.00 1728341.00 1562233.00 1034743.00 1072348.00 1005966.00 1976885.00 1162656.00 1023400.00 1347506.00 1671788.00 1196304.00 1144793.00 1095119.00 1148794.00 1111658.00 1420955.00 1687345.00 1112023.00 1330320.00 1779922.00 1057975.00 1156854.00 895264.50 883569.30 924191.50 1056495.00 833263.90 895191.20 1805867.00 1593419.00 926146.80 1198901.00 1843152.00 1726242.00 1173501.00 1497064.00 1740962.00 1502434.00 1057293.00 1345831.00 Xanthine 145286.30 142706.50 121599.30 141556.90 253392.60 109906.80 152670.30 137726.80 114596.70 116268.90 120422.50 107424.30 97313.65 109401.00 102915.10 194114.90 157813.00 149988.90 266331.60 166326.60 268623.50 134774.50 224219.60 212054.20 247321.70 148918.80 156259.80 228440.20 119012.90 129714.90 219413.10 281172.10 252332.10 110994.60 130638.30 234765.40 152821.20 257558.00 144205.80 203782.90 232024.90 159622.40 210551.30 224948.50 155787.50 227724.20 405862.80 111339.70 130597.00 146402.80 112950.20 92182.72 168424.50 188660.40 157786.90 119752.10 96352.66 84915.21 208379.90 125989.90 178571.30 149224.00 144718.50 120684.90 82294.12 207713.90 121153.00 147200.90 111545.20 91296.48 125018.80 169700.00 142385.20 168647.60 99680.84 80779.65 109397.80 141163.50 133078.70 169614.70 75652.44 144670.20 92583.27 123144.50 90570.85 98413.16 118369.60 139026.80 105841.00 158744.80 113787.70 170284.50 130009.40 145296.00 125067.60 132502.70 99080.12 137428.80 86349.49 184949.50 2',3'-Cyclic CMP 0.00 73074.97 40108.37 9897.49 26897.51 1737.64 1663.34 5140.44 6291.86 1511.84 20638.39 0.00 6648.10 7426.04 3320.51 93682.57 6240.92 163964.30 69811.74 36670.44 45627.14 11195.94 45730.00 3080.30 61932.52 27583.59 10242.74 20097.90 3778.57 49103.27 8709.64 9265.50 99659.34 16210.22 1887.67 145365.00 5052.25 13326.63 114065.20 77653.26 9220.84 2168.76 84376.38 2613.18 52687.82 6752.06 57283.69 87694.38 67202.82 96620.59 7694.52 94846.76 57368.89 87493.06 2292.54 23418.12 24741.43 10240.79 54358.04 66871.59 7016.18 3034.06 51427.73 52136.11 19263.89 55311.14 1893.84 117101.20 25105.06 23478.02 30093.67 7705.61 70599.88 121004.70 67981.65 64862.70 15661.92 42112.24 46270.03 40028.54 33013.89 20753.08 77289.97 7128.55 29679.49 56475.09 41992.79 26678.88 65125.22 99394.20 3353.29 91233.90 46280.69 17529.11 41191.75 1676.30 13825.40 26969.60 2702.99 49328.52 5-6-Dihydrothymine 1846378.00 843603.30 868534.80 1129731.00 2067801.00 671677.20 1295241.00 961921.80 1163345.00 4032613.00 1848975.00 644453.80 415191.90 1751052.00 1271284.00 1208072.00 583385.00 1328860.00 900718.00 745187.70 1033264.00 513997.50 2118332.00 2852105.00 2148270.00 523141.50 736542.30 769746.00 903444.50 900708.20 1178263.00 819740.30 1549166.00 3300956.00 392219.40 875713.70 583986.50 1053403.00 1940938.00 1870538.00 3127210.00 1727695.00 668262.50 492640.30 1413200.00 4376276.00 778655.80 1333640.00 1027361.00 1282569.00 1106035.00 799048.20 992690.10 573749.00 870026.30 2444043.00 1401882.00 724065.30 707714.20 1636148.00 638903.30 779070.30 349628.00 447262.60 464142.50 522564.20 406024.00 585451.60 568965.80 353106.40 570796.30 459863.50 556410.70 3379809.00 315225.80 1027978.00 847361.60 390898.90 874189.10 414601.60 1311770.00 432691.10 344107.10 397453.00 661472.00 483180.80 436470.80 1802089.00 396786.80 932033.30 528808.90 495239.60 807409.60 556449.80 254356.40 469859.60 483303.20 692651.80 1763207.00 697736.60 Pyridoxamine 5'-phosphate 166145.50 227559.10 145634.10 221657.80 231260.20 210590.10 277726.30 188702.30 225118.90 211620.30 320098.80 154811.40 206468.40 80703.96 311541.70 184969.60 289951.40 335246.40 145551.10 208154.70 242656.20 194551.60 319083.50 303700.20 280866.50 373731.70 253598.70 291007.90 162919.50 239620.20 174202.50 137363.40 271305.60 256059.80 204783.70 268102.80 167997.70 143853.90 112927.70 182909.10 202438.90 140721.20 222302.00 285820.10 222448.10 296439.60 176631.50 221967.40 198061.20 311566.60 206158.10 143229.70 207817.20 153652.70 218624.10 285324.80 172406.40 122944.40 171323.80 143817.10 225620.90 142599.20 237462.60 125766.50 233013.60 217479.50 209573.60 315605.20 173539.30 144032.30 215348.80 84914.34 239740.50 185595.90 260846.40 313860.50 166625.70 185185.00 249704.00 236296.30 206122.20 149516.50 249629.70 202105.30 249178.50 185784.50 125426.20 256594.90 181172.50 198571.10 185710.80 180770.20 154039.10 136701.00 261758.80 175115.00 236131.30 207080.20 175939.60 191979.90 5-Oxoproline 5685032.00 4236766.00 6589848.00 4640746.00 5806794.00 6404422.00 5669228.00 4441604.00 5391123.00 5502782.00 6241492.00 6499078.00 4552276.00 4578054.00 5838054.00 5877906.00 6534344.00 5278726.00 3945822.00 4851574.00 6593744.00 4296202.00 6197974.00 5742862.00 4554170.00 5906272.00 5517148.00 5420175.00 4600803.00 5846786.00 4420331.00 4433638.00 4521300.00 7042738.00 4766316.00 6577606.00 5337784.00 4971112.00 6651612.00 4694854.00 7673878.00 5639184.00 6445210.00 4212507.00 5464624.00 5024618.00 5843142.00 5353934.00 7117804.00 4554286.00 4829558.00 7754938.00 6284042.00 5466662.00 4962020.00 6671064.00 4868636.00 5581448.00 4955096.00 5200109.00 5507587.00 4430354.00 5799234.00 4381880.00 5416708.00 5288748.00 4378652.00 6964480.00 5548698.00 5723790.00 4635766.00 4226724.00 5737920.00 4701724.00 4137685.00 5074908.00 4384778.00 5445712.00 4946022.00 4858270.00 5169704.00 5421074.00 4821238.00 6474766.00 6536042.00 5296758.00 5998754.00 5335967.00 5705006.00 5059899.00 5202902.00 5063437.00 5065471.00 5712106.00 4417488.00 5342318.00 4323046.00 5505798.00 7271162.00 4506368.00 Ascorbate 2884566.00 3141460.00 3228240.00 2425288.00 2383116.00 2992490.00 3856525.00 2217595.00 3134611.00 412599.20 3091427.00 3077872.00 1247510.00 2398036.00 2258413.00 3129913.00 2058771.00 2849063.00 3034074.00 2462741.00 3203084.00 2838274.00 3081110.00 3253463.00 2712248.00 2589605.00 2249035.00 1854378.00 2403242.00 3550310.00 2436025.00 2476225.00 2947463.00 2818129.00 2867781.00 2122090.00 2529160.00 3422810.00 2122759.00 3357851.00 2553571.00 3126721.00 2554063.00 2102578.00 2462166.00 2374112.00 2461814.00 2926327.00 2007094.00 3072112.00 1771884.00 1788051.00 2358483.00 3209637.00 1791810.00 2216517.00 528126.10 1062368.00 3017970.00 2489944.00 1984284.00 2616649.00 1567604.00 3308961.00 3378225.00 3098418.00 2556322.00 2784649.00 2664754.00 2674420.00 1835150.00 2059029.00 1992278.00 2815981.00 2210689.00 2310832.00 1629351.00 2505416.00 2491211.00 2920347.00 2178757.00 1696672.00 2358872.00 2250140.00 2480009.00 2259419.00 2893228.00 2922601.00 2689334.00 2909048.00 2413364.00 2064953.00 1411250.00 3450124.00 1436604.00 2585769.00 2849582.00 3063025.00 2287559.00 2444776.00 gamma-Glutamyl-Se-methylselenocysteine 376774.80 299889.50 306411.40 315313.60 322108.80 344146.60 315721.70 177378.80 265935.50 336813.30 291363.80 362525.90 256675.00 295660.30 283069.30 348785.00 261682.80 297166.50 183420.20 238125.40 321724.70 243409.60 481049.10 393563.90 329754.80 388438.80 263366.80 448817.20 270031.40 242586.60 438415.10 299714.20 449290.80 364075.80 270097.00 366538.80 393784.50 398539.90 366477.10 425171.40 432019.20 396228.50 367221.00 454199.90 427444.20 267985.30 397018.60 260021.70 338667.90 366443.20 271246.00 188070.70 408956.80 418663.00 397877.00 483130.20 419705.20 223409.30 347188.10 309064.00 284076.70 326802.10 384038.20 370373.70 273525.70 321886.20 343811.30 391597.90 278831.30 225854.80 281084.30 428387.90 347440.70 348157.70 324460.50 290601.60 155071.90 348649.30 309400.00 275703.80 355615.40 344400.80 347356.80 459918.70 330395.10 403274.40 389423.00 374056.30 198265.30 337894.30 316765.00 372784.90 373095.10 309278.80 373300.40 353262.30 220801.70 289764.80 230566.60 383197.40 gamma-L-Glutamyl-D-alanine 57723.27 31010.96 38331.27 47932.34 68576.69 55568.61 46964.38 40003.43 50521.89 21440.52 44665.95 34075.66 28104.74 53095.14 29725.71 55702.91 36277.77 30499.40 51796.04 38469.84 62774.71 52068.88 51951.19 42589.95 50643.94 28815.23 39970.98 62979.80 22419.78 72634.57 43267.07 68344.45 51137.73 41393.00 47221.73 65867.43 33076.98 52642.46 34672.61 53620.33 40039.08 51906.46 77125.84 44278.31 47237.27 42906.94 43323.34 47065.75 70218.82 16378.95 53000.39 45082.06 51826.76 82421.07 34718.59 54241.34 81503.94 48157.14 49133.44 26830.72 45656.96 66966.84 49243.63 46146.76 32209.06 62114.57 35262.31 57860.21 31404.48 36929.37 42243.23 51641.04 46030.94 61020.22 34887.86 22728.81 75302.72 68749.93 46659.62 66059.95 48012.66 92117.06 48628.62 51521.60 57668.36 33254.58 37070.61 40965.98 47903.70 61831.32 43854.82 31052.72 47712.28 60448.73 22000.83 40123.22 47021.96 48327.25 65397.67 68479.74 (5-L-Glutamyl)-L-glutamine 75608.20 60010.14 83211.31 58659.14 90871.56 55062.65 75941.93 59568.38 60318.89 74048.54 68921.16 88064.73 67329.81 78090.55 94457.81 74430.01 99328.94 78482.88 40980.21 73384.21 55971.04 50847.61 85842.54 44213.84 78168.88 108181.00 74875.24 111524.90 85863.72 93203.38 82817.21 51867.98 50745.64 107664.20 46234.12 82766.26 114681.90 84834.60 92799.24 96931.37 80092.68 93188.69 100443.80 57732.44 56328.86 76317.18 130771.30 104423.60 115602.40 83145.60 111543.40 93748.38 130958.90 74586.12 72802.00 94296.88 77452.99 80780.95 109772.70 78617.57 68222.80 58838.49 75816.10 69377.66 82852.30 57469.02 63075.21 165685.60 72269.26 79412.79 98259.65 63777.45 99164.73 71887.18 78727.38 75694.23 63200.61 71613.28 129786.60 59259.40 84959.87 83819.45 65662.43 114443.60 92947.34 124508.40 59979.34 70842.90 118779.10 110458.30 83500.93 52772.32 116837.00 82651.84 78033.07 81071.12 25324.02 78580.10 78436.91 74490.31 L-Homocysteine 61812.19 79715.39 68086.52 51154.59 34137.48 89325.70 58520.51 25490.37 37479.08 72222.01 74221.78 84128.37 20627.91 36423.45 47573.29 61678.91 96906.41 63045.67 46439.80 29192.76 65533.16 37390.05 111870.50 65904.20 40244.76 94775.91 50381.32 68549.87 98943.63 62131.30 104521.70 17376.79 25884.13 105668.80 46966.17 62175.25 52167.79 74083.45 394336.80 59956.70 147521.20 73359.86 40138.64 35223.11 72047.30 61500.88 50073.88 49623.89 112772.70 34447.96 52590.43 24851.79 78443.60 19745.62 41807.26 70357.65 31390.05 19161.35 46130.35 51227.96 65611.61 43117.60 77928.66 36333.81 55404.64 8340.38 47636.78 31183.38 58361.78 20633.60 29403.60 23982.15 41303.67 54066.39 9182.20 56603.08 35801.97 56583.72 60211.75 21006.80 56550.30 48249.61 31138.10 40083.94 58905.35 50642.50 38202.79 104222.40 5736.17 14922.56 66988.05 76871.74 41910.00 42621.64 50421.27 34419.96 29374.66 79236.59 76682.25 44020.18 Dimethylglycine 658680.80 635149.10 1406039.00 577461.90 907795.80 636210.40 673860.30 496564.20 600016.70 718588.90 601468.40 714357.80 549633.30 911171.30 616655.70 533043.60 768476.80 545370.30 558248.10 830706.80 674464.30 629462.70 1111763.00 679229.60 543537.60 1104150.00 662900.20 1082513.00 1073478.00 842116.30 490226.00 688641.20 763515.20 1274831.00 778771.50 1161542.00 652012.60 608050.90 657025.60 554860.10 938288.40 670298.70 710414.80 885818.20 729274.60 962955.00 787077.70 1001912.00 612027.70 812840.00 540337.80 604508.80 744514.20 556068.60 1051417.00 874008.40 966131.20 1016686.00 675340.80 431683.20 465126.30 1116237.00 981327.70 632245.80 683758.90 938970.80 722240.20 718756.20 477532.40 799767.30 732493.90 411774.90 658624.20 727845.70 1177664.00 696176.80 1158461.00 485078.20 448371.00 492312.50 1092258.00 762334.60 989340.20 811654.40 579940.50 639955.20 511191.20 832142.30 491006.20 449874.70 642072.40 771635.50 485348.40 1093848.00 643522.20 380689.50 710377.40 620346.80 815529.80 651051.80 Ornithine 116310.60 150878.90 147248.50 242533.70 306013.50 177287.20 235125.50 119115.90 185763.60 344392.40 166110.40 199972.80 175389.30 180961.20 141490.20 196087.30 310601.70 194962.10 215359.50 247552.90 311953.20 160053.10 282266.20 342689.30 334065.40 237507.90 229198.10 368814.10 230648.90 181728.50 246805.90 528385.40 230076.80 186926.50 138736.70 372619.70 240381.50 282416.80 415019.40 249840.20 501482.00 330734.20 287883.70 225228.80 305924.80 313116.30 187792.40 242664.70 219332.20 292397.10 224304.80 123434.00 302337.70 266236.30 461681.70 450722.20 206372.40 170160.20 288586.60 196537.30 277901.80 165547.40 320119.70 302822.80 281155.70 299259.80 291375.50 348536.70 231502.80 257097.30 197762.00 194147.00 362540.30 266785.20 199848.30 191319.90 254030.70 391412.80 220912.10 291728.00 167398.00 222267.70 283368.40 284997.00 336983.60 255812.10 387315.00 377562.40 212229.50 228633.80 189129.80 258001.90 212660.10 245350.60 161608.70 160234.60 176478.00 339406.50 220353.20 324879.90 L-Citrulline 182503.50 114652.40 158511.80 137208.40 143915.00 171401.10 105417.60 62871.37 171868.50 254808.70 179313.70 263531.30 102452.10 241038.00 139749.10 138835.20 335241.10 155163.90 94963.53 97543.41 203632.60 70617.23 295480.70 234571.90 158216.00 183738.60 194288.10 353124.80 188097.10 164029.80 173698.90 151509.20 219375.30 174523.80 111345.30 179197.60 183834.20 198588.80 196640.90 117259.20 420206.80 250790.40 175664.00 77827.20 247594.20 290841.80 194029.90 199172.00 293790.60 212372.20 114987.90 164310.50 282181.60 154359.50 172920.70 270905.70 139285.80 125137.60 143441.30 161822.80 139220.80 110262.30 290360.80 169715.20 119635.80 130277.90 170930.00 176554.60 183349.60 126095.50 96607.57 103970.50 197790.10 125451.30 116311.60 196827.50 101041.00 179596.90 154163.40 147294.80 111939.90 169524.70 168889.20 154611.20 141394.40 139613.30 122273.80 214795.80 191543.40 96314.18 143530.70 183515.90 294500.70 170361.00 132612.90 82977.74 63023.19 130776.20 144295.00 107870.80 Spermidine 517061.30 374845.00 520394.10 444046.70 510397.40 692789.80 468031.90 565916.60 488031.60 451368.60 393038.90 452287.00 429707.20 479598.00 462663.70 540600.70 651255.70 758686.70 282508.70 613146.40 577998.40 476510.00 683097.20 538423.10 347939.10 640135.80 384195.20 544083.40 491787.20 347571.20 328936.40 543655.40 675985.10 639169.40 520081.80 439904.00 386719.60 456735.40 542093.80 361816.40 757024.00 342863.40 713678.80 450226.00 289737.50 530604.20 390088.60 567489.40 638351.50 411233.40 265104.30 617727.20 320105.70 342079.40 498555.30 562685.10 354997.70 504067.10 451247.20 422967.90 348058.40 337384.10 488172.10 367336.60 288865.30 477519.20 681976.70 300895.20 444519.90 402255.50 408358.70 260243.00 386210.70 401382.20 406782.30 351291.90 459355.00 374120.80 346309.60 330532.30 411772.80 458054.50 324061.30 387933.30 534013.20 544159.80 322840.10 597146.90 455390.80 295927.80 466404.80 357520.80 414738.60 242575.80 387419.30 275955.80 485283.80 450154.30 548573.20 446341.20 5-Guanidino-2-oxopentanoate 10453.08 12929.17 26971.06 20045.76 23488.33 17793.88 10953.07 0.00 22909.87 367046.20 13326.15 257351.80 5620.37 13565.18 16143.60 20286.97 28678.46 22620.64 19625.96 18367.39 43068.42 12237.93 14602.41 28399.41 25206.40 3883.36 53535.57 65675.87 17305.75 27243.60 18645.02 115525.30 34714.00 33358.54 9705.35 6752.07 10381.73 34725.92 18694.29 19347.34 0.00 43975.40 49471.09 26112.17 3655.78 149025.50 25902.42 49486.99 21479.34 63819.95 23214.46 7508.11 30459.88 149969.90 10784.49 14483.65 27073.35 24994.91 7084.72 18165.68 33658.35 181251.00 30609.19 27065.66 4207.47 15839.50 85719.64 13284.14 24534.53 10214.70 6273.06 8534.70 19512.37 22816.23 17264.96 33511.43 20085.40 12498.49 60165.75 19807.10 9807.14 20041.91 13676.85 17867.62 73856.88 7757.76 20080.34 26325.29 124967.00 15872.61 17955.64 18310.74 30553.54 37815.83 6881.56 12264.26 17404.96 11721.49 20387.22 115356.20 Creatine 35180880.00 36234480.00 41223150.00 51075220.00 31443630.00 49542690.00 26045820.00 29955130.00 37106440.00 49679120.00 43055100.00 44984480.00 37565990.00 45914140.00 41741280.00 31084490.00 50601690.00 37839080.00 39029400.00 41647380.00 50313710.00 31073500.00 48015230.00 39214820.00 39898920.00 54068830.00 33986500.00 50672710.00 57667830.00 32306710.00 38807570.00 52012850.00 48855900.00 51773320.00 53878520.00 35767120.00 43291780.00 50407060.00 33801110.00 37512650.00 40024050.00 43995240.00 36249240.00 41176260.00 35042920.00 41528400.00 53010170.00 55221550.00 40312610.00 45536010.00 40567790.00 48313400.00 51094140.00 35731480.00 48138560.00 49893100.00 44393550.00 50329950.00 38198620.00 39352520.00 36136420.00 34728020.00 57199760.00 42988680.00 35972450.00 50984170.00 41891870.00 48291020.00 51662510.00 43096470.00 38295000.00 34682770.00 40145880.00 45339330.00 40106000.00 64094300.00 50389640.00 36329700.00 40431930.00 35888970.00 43579310.00 55491390.00 43631020.00 53546360.00 34528460.00 48467170.00 53117730.00 30722900.00 56794050.00 44626280.00 36709520.00 47329840.00 34070200.00 48408900.00 45837020.00 42951430.00 41025640.00 46654040.00 41033910.00 47631890.00 Creatinine 48078100.00 29637910.00 30670920.00 47001310.00 39042370.00 35986220.00 37015880.00 40736630.00 26748740.00 39915330.00 41370660.00 40731670.00 23646480.00 64402170.00 30694740.00 41987680.00 32680470.00 41696950.00 50397020.00 43342430.00 56884280.00 35579720.00 42071700.00 54847650.00 41351210.00 31634610.00 33167470.00 43179760.00 35782400.00 50052940.00 30801720.00 51565680.00 56105010.00 43045580.00 47034260.00 50280360.00 43138860.00 41963790.00 29549150.00 50653790.00 36585290.00 51793620.00 39256570.00 42196620.00 37718340.00 57874130.00 56045100.00 43881760.00 43560880.00 41611470.00 52091150.00 44857880.00 51319290.00 45398740.00 42579450.00 44929720.00 37334220.00 39573730.00 35404830.00 43635230.00 45394810.00 51347380.00 55242140.00 46311760.00 27158430.00 51332240.00 39304630.00 43098070.00 41137050.00 29395560.00 41896180.00 44414320.00 48582200.00 50654930.00 41876180.00 35967360.00 45437580.00 42741720.00 48882610.00 55372120.00 47713390.00 39880750.00 40842910.00 44876810.00 33583200.00 38041990.00 45927440.00 36767240.00 50511840.00 48044440.00 42455840.00 39985950.00 43582200.00 48293360.00 36316000.00 39913710.00 48896420.00 44920340.00 47072630.00 58110990.00 4-Acetamidobutanoate 438507.00 296776.20 391147.00 389339.10 552782.90 262454.50 459810.00 261968.40 342753.10 342986.00 394968.60 376311.40 324981.30 246505.00 331982.50 500575.60 422707.10 482223.30 554551.20 391418.00 504068.70 349456.50 332012.00 531630.00 417436.80 504163.00 261255.40 351285.40 304137.70 467217.50 286940.80 398032.20 458090.30 310139.90 420604.90 450740.00 386160.80 433906.20 344618.50 424911.20 362957.00 230159.00 446829.20 341985.20 357069.20 424990.10 336518.70 357646.80 384989.70 419161.10 355982.20 314191.80 330071.40 389614.80 316381.30 309768.30 296319.80 277017.70 311203.60 367268.80 377932.30 377668.70 353094.40 315777.60 297562.80 461230.20 424071.70 353949.50 296407.80 362589.00 372055.20 378405.70 326158.90 418821.90 289555.10 334849.00 443493.80 352173.40 526320.30 491806.70 331591.20 366476.30 289439.60 260126.40 449799.70 325183.10 309768.50 562672.60 386933.10 400234.50 290347.50 332391.30 366688.00 446238.30 306477.30 267921.90 413238.20 376501.20 453993.60 329079.50 N-Acetylornithine 91009.06 45256.57 153750.10 75492.13 243772.10 100370.40 78735.47 219117.50 212072.00 626481.00 118245.80 533718.30 61654.94 110129.70 74483.48 182911.00 126334.10 243745.10 152538.60 152294.90 98940.93 73169.51 222553.80 220530.10 96710.16 25608.99 244696.10 728998.40 86724.41 57043.12 112645.30 148839.50 567074.80 419023.00 116601.70 384788.70 82560.72 180413.90 219470.70 47393.78 78349.68 265316.10 123238.00 136355.70 98075.46 303689.00 44991.75 140455.10 185617.70 199288.90 134247.20 118311.70 103406.10 313397.50 55465.92 329369.90 55984.25 98922.00 186852.00 98737.25 58752.73 280444.20 146572.80 174038.10 213134.20 96672.38 495018.80 82142.15 106760.10 104303.90 73106.73 61768.87 47143.98 240160.50 56393.86 82553.10 135103.70 120674.00 323310.80 59009.77 82909.98 146610.10 112866.70 80336.50 238252.90 59935.84 49070.32 116877.80 242949.90 43153.76 41513.49 45765.05 55441.41 91230.72 57112.19 104863.20 90368.71 60798.36 224188.60 371122.40 trans-4-Hydroxy-L-proline 1473549.00 959605.60 691730.60 1252982.00 1185572.00 553023.30 1146934.00 571447.80 981996.80 653154.80 931381.20 927215.50 889805.80 681169.50 857023.50 990765.40 781670.50 1032537.00 1326368.00 794652.30 1163186.00 1043287.00 848619.70 925714.20 1025509.00 950318.80 818631.90 778822.30 892134.80 1466184.00 657183.80 891166.20 887841.40 495530.40 855941.00 1165099.00 984394.50 812795.30 671169.60 971863.70 829767.80 688002.60 1510670.00 648052.50 784675.20 745329.20 921529.00 627086.40 1056710.00 913533.00 1240568.00 849405.50 1016769.00 896212.80 928044.80 788408.60 1095426.00 1143870.00 760761.80 896624.70 1675312.00 1353117.00 819280.50 941809.80 877537.20 1164094.00 819501.90 1062326.00 963637.10 809634.10 994186.90 977731.60 1008574.00 1726840.00 904624.20 799811.60 1268257.00 956422.60 1311872.00 1772775.00 997250.20 889386.30 959021.20 840747.90 1210567.00 913164.20 724773.30 1452392.00 1536657.00 1192566.00 1013722.00 1039400.00 1051663.00 1360260.00 761818.70 686865.10 715270.40 896694.20 1428181.00 1216520.00 Taurine 43522.25 72025.17 64344.59 58282.52 32901.82 54970.78 39281.92 40520.44 55198.78 33653.88 21993.98 61742.32 61237.38 34494.86 53043.33 46914.30 88083.91 73362.80 63603.08 68563.29 62693.33 59259.12 51763.39 44691.23 54889.25 59567.97 34729.27 38780.32 57560.59 42421.88 44356.38 65876.25 85125.26 48043.17 73580.29 56720.74 47351.34 60325.05 54834.96 63052.24 45769.83 64401.75 48909.57 54299.67 26307.85 42805.91 61186.44 56772.28 45432.50 64895.31 16233.66 50294.10 63228.83 45273.18 55935.28 35746.13 59346.96 36914.64 50713.08 56634.60 41005.67 24807.22 48617.95 39681.36 40095.34 36826.05 44178.31 55155.05 41786.41 43937.30 46168.04 47768.83 56215.66 72050.43 51344.97 51744.04 44214.33 37796.20 74940.59 67650.86 58278.11 39664.24 49993.77 54241.64 63539.19 76162.10 53777.92 40654.91 50691.83 63924.63 44420.25 42920.53 41614.59 62826.18 57516.48 46161.46 40831.05 45670.61 36616.51 57794.19 L-Methionine S-oxide 99714.84 65875.45 137470.30 105162.60 142063.50 109336.00 101132.10 103921.10 105031.50 105828.50 153132.90 128445.20 92910.38 107360.10 88551.56 107128.80 196967.50 135995.80 78053.15 162122.50 105525.90 92623.29 123193.90 130918.10 108966.20 136394.30 100567.10 129530.90 93888.44 146066.00 102203.70 82732.66 97874.60 174825.30 140786.20 153900.00 78394.98 86466.82 128431.40 88908.24 138500.50 102374.40 131014.30 119708.20 98683.02 100603.20 97796.37 165757.30 143481.60 101105.10 101171.90 173354.60 126734.60 87358.38 133115.90 151781.70 123432.30 122632.00 122935.00 122226.50 97732.71 80080.88 153046.20 113754.30 90990.73 98504.19 117210.40 160195.30 164300.50 128520.30 134820.00 63966.26 117005.50 79241.66 103401.70 168247.20 161607.70 151159.30 109337.70 98229.45 125978.90 132785.90 152559.30 100413.20 129437.10 125148.70 84755.28 165130.10 123976.50 89458.05 76869.54 74629.56 91180.55 59723.78 115421.70 59631.96 115694.10 133100.50 116232.40 97317.34 g-Oxalo-crotonate 840684.80 631860.60 644267.60 787619.20 1044554.00 706431.20 937819.20 778780.20 732336.10 764378.80 687953.20 677257.40 629834.80 531403.20 525486.10 767351.70 671013.60 771715.80 939457.70 770761.20 1066718.00 504659.80 688797.80 687422.40 752927.80 850114.30 762071.20 866210.10 490534.30 950877.00 335635.60 699409.90 751136.10 614345.40 865467.80 950940.00 606959.90 737596.60 629277.10 882159.20 699846.80 807969.20 778896.80 980460.90 555482.10 965426.80 1141123.00 727321.20 909948.00 728442.70 845614.20 553514.40 652287.80 548369.30 545298.20 302208.20 658384.90 395969.80 521363.20 632230.30 763597.60 866702.20 466484.20 504310.20 560167.20 967037.00 578148.90 485497.30 516703.20 743420.80 590834.00 652689.30 514865.80 591241.20 542330.30 710220.60 657865.90 610659.80 646062.60 868673.60 452296.60 588385.20 472909.90 483386.90 500146.60 521636.90 420004.00 431279.90 855860.10 751324.00 440887.50 523533.20 977903.20 970061.20 597867.80 677233.20 787148.60 685589.70 478525.80 646349.00 8-Methoxykynurenate 63177.12 51466.68 36285.82 63661.86 94359.44 27287.89 41445.82 33455.11 25740.99 27036.44 39910.16 56818.18 26013.75 33279.43 23768.15 62829.62 35081.36 50396.51 72695.01 48996.75 77848.15 56085.11 46927.25 67590.77 62721.86 36324.01 48225.29 66372.08 38578.84 61938.66 52099.02 77267.34 53825.11 28784.05 59123.16 75765.35 45577.64 82202.90 42291.43 50012.44 50921.45 51337.25 94733.26 57581.47 48380.30 54185.28 58973.95 54245.99 37426.12 34190.16 51022.08 9657.70 53226.12 51299.88 48901.99 29636.02 44595.11 46812.90 30804.62 43276.71 58699.86 58536.76 37792.49 34568.74 44463.30 55888.04 19431.22 34725.84 26930.16 25043.88 51536.62 71079.15 49967.18 73736.57 34863.17 29442.77 37582.02 52974.46 54949.17 80659.15 33804.86 53704.04 34793.31 40535.32 38073.75 41106.72 42027.69 48333.11 57953.16 54537.24 33589.29 47455.32 42333.32 62945.84 28267.80 41228.73 46585.67 50963.73 42066.46 58982.20 Serotonin 10370.77 11055.55 25669.43 10722.11 6043.63 8262.81 12263.16 12413.80 16829.06 10923.72 10663.11 6314.96 7710.69 6990.57 6986.63 8003.58 13390.89 9536.87 10033.24 4944.42 7543.45 13750.01 8902.68 8813.04 8957.69 7466.01 13547.13 17436.04 10691.85 13507.79 17577.77 19853.97 5415.85 77724.79 5320.29 6926.91 19369.23 17802.42 7493.73 8886.65 16406.61 6852620.00 13261.13 18725.92 4637.04 13319.67 21727.83 15586.57 15265.70 7257.50 18338.41 18547.88 15779.55 12365.74 4941.25 9491.37 5810712.00 6765692.00 3055035.00 2707260.00 15837.74 7077760.00 10672920.00 9872.85 16872.62 10402.56 4780.81 12930.58 15196.36 11752.92 8532.36 13476.38 10650.54 8217980.00 1204477.00 16923.68 3594.92 4805.54 15670.25 12635.13 11838.74 21334.14 7361.89 14762.85 17626.58 5160252.00 8504.88 5641216.00 305746.30 10696.51 5737578.00 11479.94 10284.07 7060.58 12242.77 10305.84 12573.69 9196913.00 7622.90 4027013.00 Acetylcholine 538882.30 273607.90 317350.30 358029.40 389623.10 407729.80 296295.70 329803.00 410311.80 557651.10 453417.20 401482.80 408923.80 587111.70 432152.60 207769.10 590047.40 418896.80 363887.00 409607.80 276345.70 225691.40 420986.40 446720.90 259098.00 103395.60 374794.40 534178.00 475608.70 430658.20 270974.70 254711.50 501849.50 722324.10 352147.20 314773.60 431660.50 489581.70 522905.30 283278.60 459526.30 302789.00 379749.60 383407.30 519063.70 349477.40 365656.50 522951.90 342607.60 562209.80 302688.10 343688.80 545431.20 389648.20 644161.50 856038.80 509210.70 489587.60 571788.70 355720.40 258373.90 232125.10 372302.80 404768.20 324157.00 404212.10 261697.60 340029.30 398225.20 292932.90 103860.70 242285.30 330072.80 546687.20 259515.60 513590.40 323224.20 373534.30 445728.50 385940.20 604307.60 326643.30 550684.40 539222.10 245517.90 363315.40 310635.40 420991.10 309082.80 388279.80 325608.70 438492.70 419623.50 330652.60 362902.50 297320.90 354632.30 378179.60 562885.10 406382.00 Choline 17677650.00 17463710.00 20377710.00 23149190.00 16224750.00 15112180.00 14992680.00 20064450.00 19104880.00 20465690.00 21696390.00 22819510.00 14432970.00 14339380.00 15821360.00 22151810.00 23174130.00 17334870.00 22002950.00 19943530.00 20233190.00 17406480.00 28441890.00 26160220.00 18094890.00 20390120.00 13282290.00 22779150.00 14104010.00 19640490.00 14225650.00 19433490.00 24130680.00 16658730.00 19138700.00 18291460.00 20750380.00 18386740.00 21056780.00 18080560.00 17109550.00 16536860.00 23025970.00 14904100.00 16768430.00 20485260.00 23172360.00 19616200.00 16452960.00 16475500.00 8591307.00 11602420.00 11570270.00 13265330.00 13819360.00 16799730.00 9105237.00 11151740.00 10437880.00 17951120.00 11733200.00 15148020.00 14122550.00 11173760.00 8657149.00 14621180.00 14402340.00 17545880.00 14423930.00 12957800.00 11722600.00 12359100.00 13568770.00 14052000.00 10020940.00 11875910.00 12655200.00 12408520.00 16884200.00 12201810.00 13800360.00 13329060.00 14576590.00 13644270.00 15346480.00 14895410.00 9124615.00 9544161.00 13104170.00 13493390.00 9284224.00 12939850.00 13414010.00 12120660.00 10981870.00 10564850.00 13215670.00 14931790.00 15114710.00 14865360.00 L-Carnitine 11375830.00 7093790.00 12266380.00 7684568.00 9519595.00 14880370.00 8192746.00 8781972.00 5918358.00 10901070.00 15167770.00 13878240.00 8101874.00 11120520.00 14489160.00 11131540.00 14544390.00 11035040.00 5449070.00 9851886.00 9815855.00 4380264.00 15176570.00 11537960.00 9824945.00 8046604.00 7441130.00 17284090.00 13469540.00 15918920.00 6412266.00 8086328.00 9050729.00 18763230.00 7755704.00 10740480.00 9887458.00 8181574.00 11081020.00 7781390.00 19427920.00 13274800.00 9192499.00 7169618.00 10520560.00 13124300.00 20019030.00 15782470.00 20413850.00 14385890.00 7819120.00 16381440.00 13956520.00 10690360.00 13442710.00 17047050.00 13210550.00 15510550.00 11528280.00 11075400.00 7793616.00 4429754.00 15401960.00 9894192.00 11150200.00 12344220.00 9759140.00 9031923.00 14698080.00 9697911.00 11220760.00 6315828.00 12298210.00 9534964.00 12029550.00 11399210.00 9906655.00 9953165.00 15141430.00 3744569.00 11609120.00 13850560.00 13915820.00 10937170.00 8829908.00 10821280.00 11799990.00 9102161.00 17420990.00 15753970.00 8182144.00 8454937.00 9373093.00 9348788.00 10601880.00 10332670.00 12014100.00 14631270.00 11954720.00 13312680.00 acetyl-carnitine 10249270.00 7044256.00 12393270.00 7241134.00 6576104.00 11644110.00 7165828.00 7655430.00 6772700.00 8836525.00 18515200.00 10706250.00 6880696.00 19923750.00 10292780.00 6260608.00 20922070.00 9249112.00 5218788.00 10461210.00 7687926.00 4665198.00 19520570.00 22313130.00 8771103.00 2662466.00 7086766.00 27532980.00 10443420.00 15762850.00 8192410.00 7738488.00 11329950.00 23956870.00 8378500.00 12031360.00 10727760.00 10098300.00 9600587.00 8880365.00 15061180.00 11302810.00 8384484.00 7601852.00 13453510.00 9419344.00 15785410.00 16162620.00 18020030.00 13247840.00 3688894.00 4559707.00 14240000.00 7124652.00 11025720.00 11417420.00 15401020.00 10326140.00 13756540.00 5704638.00 5046938.00 4478808.00 15563100.00 6662938.00 8200732.00 12939060.00 10447040.00 7175168.00 8502419.00 9421387.00 2374102.00 4334116.00 8908927.00 10612960.00 10720240.00 13759180.00 6647944.00 8376002.00 12545210.00 4480964.00 9051921.00 12012160.00 14312730.00 10026890.00 6801096.00 7124626.00 9499479.00 10999490.00 11799990.00 8615692.00 7781364.00 6685500.00 7319464.00 7865694.00 8303088.00 4600226.00 12398290.00 11992080.00 10241200.00 11009840.00 propionyl-carnitine 581785.10 305032.00 723681.90 558735.10 432237.20 368141.80 400677.30 428938.00 418134.20 531184.90 889066.00 482762.80 477861.50 608049.10 694090.80 390340.80 841427.00 470508.40 302526.10 734125.30 459536.50 404771.40 939340.20 1203388.00 504519.50 180578.10 308676.80 1467626.00 630281.00 867610.80 515993.50 429213.50 613288.60 1311055.00 471460.90 804468.30 594540.40 584524.40 560390.40 463584.90 725676.80 522741.60 701792.00 503543.00 796599.80 448325.20 1170960.00 1001764.00 977855.50 740175.70 269529.10 200346.10 883274.20 354745.10 699703.20 476094.50 550399.10 610427.70 743097.70 248660.90 255057.10 323875.00 698514.60 323671.80 440673.50 534783.30 458878.90 332577.00 298596.40 592934.30 166644.20 363424.70 479714.50 525365.10 733265.80 859791.20 301320.20 343978.70 636447.20 292300.70 387443.50 609489.20 860998.10 543086.20 332645.10 347625.60 439601.90 501924.70 673645.70 457567.80 389465.70 267131.30 287702.80 386336.70 392662.50 197634.00 649596.90 575151.10 802346.70 598398.80 butanoyl-l-carnitine 308217.20 239320.50 293497.10 385717.50 514258.90 258261.00 301872.50 301898.50 327798.80 270716.80 400403.20 251115.30 544379.40 380120.10 371974.90 242693.00 376233.50 218506.90 280283.40 274734.40 340110.40 338950.20 501650.40 462665.50 366429.00 413417.20 290828.30 749592.70 310886.80 419232.80 473199.90 383567.20 272394.50 693002.90 280521.20 436571.20 443330.60 353665.40 340370.20 390101.40 641814.70 477961.40 315873.10 401881.20 602633.60 283821.90 668184.80 493191.50 547403.30 356222.10 208214.50 163522.50 322797.40 450928.50 312401.20 284942.40 249944.70 318287.80 372680.50 194292.60 227160.90 165593.90 412422.80 198981.10 276721.70 465733.10 212442.50 259910.20 169675.70 213029.60 183954.70 182929.20 399802.40 280423.50 343756.00 258288.10 296206.10 190498.30 280240.90 189840.60 338802.70 335951.80 442462.20 311163.80 362981.10 206753.40 240015.70 327998.20 215033.30 211894.10 280192.90 305145.50 204314.00 225603.10 194302.60 134693.80 285464.80 240753.90 278184.80 303059.80 Hydroxybutyrylcarnitine 196165.10 233259.70 152701.90 181529.60 428409.10 899371.00 153611.30 239955.10 384122.40 1021925.00 245846.10 327641.90 253837.10 26784.01 423787.90 403551.00 337478.30 267321.30 414403.90 303824.00 363975.90 97905.48 185051.60 287663.40 48017.10 522670.20 547552.40 1170279.00 122017.00 110486.50 184507.60 323177.10 467047.70 176203.40 40385.74 923158.80 153236.00 428291.30 323489.00 515594.60 232681.90 334113.40 263092.30 450970.10 330380.80 1071604.00 538794.80 238024.50 1408968.00 2039952.00 313109.40 152713.60 82238.91 172022.20 52916.97 613850.20 411960.20 77577.88 183921.20 109582.90 214690.30 195710.30 224012.90 409031.10 124149.30 147390.50 256404.30 104378.60 159658.30 175572.00 264079.90 59874.11 159408.70 290071.80 70025.40 111155.30 458386.90 69555.52 426210.70 150117.40 73590.31 160233.30 463925.50 52302.28 683160.50 166440.90 86356.38 661873.40 281908.10 220476.10 176501.30 171232.00 115395.10 89913.51 208697.60 597767.40 154755.40 43484.34 270317.40 677864.60 hexanoyl-L-carnitine 74891.70 98317.66 127963.00 106733.40 149287.10 150644.80 92371.29 74274.03 75066.66 132664.50 126161.80 97260.60 95768.77 117397.90 148265.70 76203.82 135347.20 83497.02 120009.00 115680.70 136007.70 60999.66 270068.10 218424.20 159586.40 158594.10 129398.90 318158.60 163160.80 163746.20 88726.65 232541.00 182008.70 165821.30 58628.32 172339.70 174848.90 140012.50 142507.70 139116.40 200435.20 157031.40 87461.90 120345.40 164357.20 205283.60 270592.50 110680.30 120499.00 136239.40 78338.51 19193.44 105396.10 90415.60 125163.00 136959.80 67371.74 66556.02 167407.70 86413.19 82402.98 78154.88 145262.60 95194.59 128471.60 137029.40 91961.62 123877.90 84450.62 83619.61 110762.50 103796.40 129480.70 131761.80 126891.80 92367.66 56793.04 100428.90 109544.60 99622.38 132162.50 84762.07 129440.50 97383.48 117599.10 86743.77 88745.79 211024.50 63665.49 96406.01 118517.40 94429.81 94372.48 106156.10 91836.31 79568.85 79440.69 94028.78 30575.24 153319.50 6-Pyruvoyltetrahydropterin 89919.65 72187.40 112034.30 73090.66 95060.35 150371.90 83990.16 44528.72 72382.84 114107.70 115778.20 127848.60 72200.23 145658.20 71965.84 105658.80 131087.70 82600.12 41401.62 74630.94 67824.80 66446.16 218272.90 216273.20 65479.76 115464.50 64116.19 190959.10 60627.66 76821.88 113635.30 88894.57 205435.60 184001.00 109468.00 110197.30 112410.80 125251.80 100526.40 134280.80 178977.90 152691.20 89756.91 92982.29 135167.40 62117.66 102293.10 98860.66 114593.10 105398.80 71447.45 41139.67 105366.90 164561.30 138188.90 190874.30 172840.00 89148.91 140765.10 98618.54 70868.91 99230.02 128820.60 70813.00 63252.64 75067.70 149010.20 118608.30 89476.27 78350.77 79590.69 109727.50 118843.20 90088.99 108742.00 135774.80 36766.86 80132.90 101158.10 69393.53 174188.20 162962.00 129772.70 172793.20 139971.80 149427.20 113042.10 115075.00 77906.28 74378.45 76597.09 115873.40 149674.10 103895.00 131388.60 84780.56 62517.04 114945.10 71628.59 103358.30 2-Deoxy-alpha-D-glucoside 5459291.00 9531371.00 5621436.00 7397738.00 9085373.00 5909450.00 7652420.00 5415306.00 5559558.00 6079288.00 5429482.00 5514630.00 8034182.00 6389072.00 7275938.00 7060214.00 7191876.00 6326272.00 7218248.00 5266716.00 8203310.00 7665202.00 10719610.00 8862659.00 7757092.00 7115044.00 8440067.00 7594896.00 5921078.00 8593905.00 9065360.00 9088032.00 10556470.00 6197578.00 4540395.00 9006772.00 8563449.00 12243670.00 10894440.00 9496467.00 9190695.00 9756361.00 9196663.00 8192030.00 9006976.00 5726110.00 10882270.00 7198474.00 6106968.00 8421975.00 7534120.00 5426052.00 7876822.00 9169241.00 9819757.00 9587672.00 7427272.00 4688896.00 8559209.00 7148102.00 8098128.00 7025264.00 8059662.00 7504212.00 8705385.00 10064890.00 6513384.00 9878968.00 5134862.00 6042350.00 6800122.00 11592500.00 8803201.00 9554655.00 6485174.00 5652676.00 6090854.00 10635380.00 8632612.00 5486826.00 5454602.00 6351932.00 6855198.00 9532448.00 8362694.00 7589060.00 8830086.00 9658307.00 4261100.00 10043960.00 8229766.00 8894195.00 6909762.00 9525775.00 8589130.00 8194026.00 6947630.00 5697908.00 6405630.00 10084590.00 N-Acyl-D-mannosaminolactone 619456.00 438757.40 838629.20 448265.80 551361.80 697458.40 506872.20 536715.10 661442.00 643310.30 625412.30 765375.50 525874.40 368332.40 544786.20 645744.20 703788.70 579948.40 529371.10 597967.40 664707.80 493350.80 723678.20 688726.40 663618.50 627430.40 629491.90 599647.70 584597.10 633271.30 485586.70 559069.10 675142.20 652514.20 817843.30 542408.80 491543.70 399149.10 807611.20 737274.30 815444.30 568923.20 601143.50 921508.80 753671.80 590990.20 952776.20 519472.70 520537.00 491301.50 422941.20 702777.10 773707.30 547522.60 604523.30 737279.80 522783.80 531215.10 586338.80 600615.10 563049.10 604055.60 637209.10 527922.70 611899.80 511010.80 456043.80 617002.90 692109.40 538730.20 607094.50 515734.20 713846.80 470112.20 758417.80 532660.50 426177.50 531112.10 670008.20 474434.80 638712.50 778603.70 543263.80 546259.10 619802.60 602936.80 468638.50 487434.90 638695.70 610925.40 499527.90 524121.80 630254.90 575088.20 622886.40 687454.90 488753.20 807513.90 611461.40 487645.50 N6-Methyl-L-lysine 382962.50 69378.63 113880.30 84943.62 614734.10 142709.90 430235.30 118326.60 76083.45 754087.30 630428.80 454526.60 67576.09 111690.30 59031.47 90568.66 138252.20 481135.30 107744.50 78936.32 123775.60 66600.63 630069.80 687647.70 514467.90 102467.10 99547.35 93713.77 98046.25 50869.68 661009.90 122733.60 376684.90 580833.50 82072.34 369089.30 498736.80 105108.20 728414.70 294102.70 797042.80 104681.40 332415.30 121170.70 97067.40 68574.27 355951.00 87418.69 551492.10 81381.61 607498.70 80822.55 360507.80 464941.50 106693.90 724739.90 141449.10 156961.80 120414.90 536529.10 309209.80 490640.90 414142.00 320311.80 114943.80 263173.70 253393.80 479972.30 138337.70 112146.40 85945.46 112353.50 436462.50 117666.20 256299.30 74964.23 116025.40 412917.20 106795.10 109615.10 152549.60 110390.70 371761.40 227706.90 104704.00 108084.30 130769.10 80357.58 310636.20 119710.30 396483.00 101943.70 149128.50 70915.51 283510.80 134579.40 72870.32 125007.50 153492.40 102780.70 10-Hydroxydecanoic acid 146329.60 46274.01 122791.90 87112.68 31258.38 107487.00 147665.70 31900.10 14009.79 10898.89 63472.59 82887.94 50363.01 73687.20 164547.00 117556.10 103264.80 54255.28 82558.50 48076.64 38322.56 239776.60 38798.80 268202.70 75717.73 30476.53 64415.82 108249.80 181837.60 169370.00 157489.60 176003.60 280743.70 71781.65 353320.10 150623.60 37444.52 59852.62 84545.84 225917.60 109638.20 160365.20 137124.40 15503.81 86476.55 7723.55 55227.29 40099.52 40321.79 35504.21 69755.67 50547.29 20411.13 94809.26 61034.98 26942.54 8665.10 80292.96 52604.64 49729.22 36115.22 66112.19 12386.58 42815.61 25097.51 423856.80 9716.91 25969.97 38221.14 46106.83 106275.80 61812.86 35833.04 25613.31 130359.20 71180.55 8632.33 112832.80 38091.62 193381.80 0.00 167159.80 42252.56 61111.76 60497.44 101120.10 26499.85 30394.95 92873.76 221044.20 21953.42 8668.97 145904.50 0.00 60257.58 63904.86 10071.29 47077.50 49294.50 29177.92 2-Oxo-7-methylthioheptanoic acid 347708.60 121939.50 435060.40 286896.60 332694.80 197779.20 233777.80 281105.30 430171.50 356312.70 437459.80 394544.20 198814.10 310794.70 257783.10 302554.20 497956.30 305403.60 291267.20 313279.00 416926.20 338474.30 467505.20 568034.60 371530.90 493159.00 359140.60 354710.30 449400.80 208457.60 222120.20 459100.30 107756.40 356984.80 417688.00 548820.90 425942.50 364332.40 446920.70 216964.20 616661.90 368436.40 243724.40 455537.00 382269.40 346861.10 253333.50 406341.20 379762.70 397801.40 254560.60 280048.70 190122.00 180673.00 485336.00 295565.00 255305.60 355429.90 289930.20 292978.80 288083.30 230436.60 444975.70 255753.80 351166.70 337988.60 276838.00 410750.30 329912.20 378781.70 283676.30 120928.20 382846.90 237997.20 371894.70 318299.20 337245.10 227856.30 255220.60 341122.70 453226.40 330926.60 538678.90 343109.50 412024.20 383954.40 298202.10 216506.50 350102.10 139138.20 301509.90 273589.50 225306.30 304817.40 329904.80 321260.40 391031.80 302289.40 405445.00 313474.70 L-Kynurenine 161011.40 133605.20 178765.40 158994.30 113694.90 143782.70 123031.30 188555.60 145805.60 190032.40 191993.60 159321.80 106633.80 196231.10 161317.70 177684.40 331941.80 173517.10 184646.50 173916.40 192276.00 177089.50 203392.30 358445.50 227900.90 275671.30 178398.80 389272.80 118353.00 163674.90 152527.10 270461.40 225485.70 402567.30 160711.30 179981.10 125022.30 183565.90 159962.80 90875.10 404136.40 180843.40 216582.30 235183.10 210965.40 153558.70 177985.60 136470.70 163546.10 237278.90 62901.67 130337.00 146166.90 85951.29 170545.40 134716.70 87193.51 72076.66 218198.20 119053.00 94289.29 74514.80 129240.10 121114.20 189553.80 133690.80 164218.70 291892.20 279201.30 149594.70 165542.10 156753.10 194340.50 198298.90 178427.10 219123.60 176926.90 184738.80 307120.50 229379.60 194386.80 152729.30 235499.30 178724.00 170176.70 232217.30 198804.70 262795.20 189046.90 214858.70 100844.90 175987.10 161232.00 137200.50 192662.90 119821.90 159287.00 188525.30 165283.00 162108.00 L-Formylkynurenine 118974.30 126455.20 132801.90 95561.06 61680.02 85797.66 120139.10 134568.50 133552.80 224684.00 69843.07 104480.40 126280.90 127236.10 168947.60 70270.34 151422.20 77178.44 71116.52 120348.90 90414.32 109627.00 90463.24 129887.30 162034.40 165200.90 103634.50 122358.70 63099.96 78726.96 100701.30 53498.24 97162.20 148088.00 124481.80 154808.60 98892.21 50853.43 62902.19 85853.45 107636.70 129499.40 88037.21 134178.50 125920.90 108914.10 76665.04 91989.44 107819.90 155141.00 112128.20 228347.50 143443.40 95549.09 155593.70 152544.40 93855.34 72219.29 78055.55 90895.81 192579.40 134163.40 171827.90 38275.44 44531.52 30203.79 36672.35 114063.70 35359.71 31326.33 33763.97 27888.25 19026.32 36833.92 40622.43 56043.84 52890.26 33170.48 43723.27 25513.83 49831.23 22752.97 38606.30 59918.11 45430.70 52485.36 39896.20 46178.23 31722.90 26939.23 19244.85 35979.80 39916.53 36137.19 50920.93 39658.89 19743.46 45262.57 36168.38 24215.12 Anthranilate 385569.70 62573.12 95676.25 518633.40 2756200.00 139372.70 1028179.00 69594.12 186784.20 145899.80 410947.90 140860.50 600102.50 1974981.00 88573.49 57169.56 146847.60 183377.10 7202058.00 148374.60 3149962.00 88822.84 180064.60 123747.90 2196423.00 149629.50 543612.20 999525.80 1618997.00 82296.68 443916.40 281354.00 294709.60 1761237.00 61447.29 72242.30 110529.80 2739973.00 965767.70 61666.64 83329.85 237651.20 153961.80 2501429.00 202476.80 127232.20 143256.60 299728.30 514550.10 174960.80 62404.04 90932.46 119189.70 531937.60 253604.20 610323.60 330519.10 507605.90 1230295.00 240787.80 915188.80 122303.90 225261.30 272626.40 197151.50 272014.70 60284.64 285849.70 49346.66 234093.30 109456.90 70199.83 663759.10 1463537.00 144682.60 184791.50 102226.30 251212.20 1095508.00 1144280.00 173325.90 1686611.00 477427.40 78198.31 133064.90 1777185.00 137631.10 167773.30 123009.00 55586.57 214482.60 241275.90 117403.10 111633.70 87168.12 49866.29 46742.62 224604.20 3712261.00 326778.30 Picolinic acid 781535.30 619643.30 643056.70 5048362.00 699728.80 3500589.00 620134.80 572973.10 568705.00 553362.30 3577942.00 11364140.00 3210393.00 402787.20 4130810.00 907805.60 4021863.00 3058802.00 10494360.00 4458890.00 7097732.00 3609604.00 2412353.00 430608.20 3711672.00 873330.80 637076.70 7344074.00 4671545.00 3388996.00 676090.40 9481749.00 3516365.00 724321.30 605263.60 11648680.00 4763220.00 1454937.00 731512.20 821612.80 2008414.00 1280483.00 4530240.00 600361.40 622390.60 2054012.00 921034.20 576892.10 583799.10 725197.10 773613.00 522628.60 578813.50 772857.80 10014250.00 672561.20 4031290.00 592649.30 11515700.00 766148.50 673197.30 9998608.00 561865.10 349240.00 621049.70 601381.00 1487658.00 523201.60 586442.50 709871.30 2796470.00 779138.20 762877.50 4348644.00 568568.70 651984.60 675167.40 708583.30 529091.10 826540.90 233823.50 10384630.00 691248.40 3640586.00 592317.20 647191.30 10113810.00 3439391.00 3927837.00 544676.10 558696.50 8056700.00 1877415.00 678917.80 583880.70 7420346.00 6746906.00 756988.90 712289.90 649128.70 Quinolinic acid 2805.19 0.00 4888.42 3225.53 0.00 0.00 0.00 6302.51 0.00 0.00 0.00 2361.88 0.00 6599.29 0.00 0.00 5813.25 2075.44 7978.51 1644.91 0.00 2834.59 4133.90 20733.19 12071.93 4570.95 0.00 14738.22 0.00 1578.93 2448.14 8162.17 13588.91 20425.71 0.00 2274.40 0.00 0.00 0.00 0.00 10766.56 5852.69 0.00 0.00 2711.10 1988.11 0.00 1522.59 0.00 0.00 0.00 3418.28 4126.89 2260.40 0.00 3009.58 0.00 2071.58 0.00 0.00 0.00 0.00 15722.18 0.00 0.00 0.00 0.00 5844.65 0.00 0.00 0.00 0.00 0.00 6048.77 3682.47 0.00 0.00 7536.60 0.00 0.00 3338.17 0.00 0.00 0.00 0.00 0.00 2348.80 5628.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1466.40 0.00 0.00 metabolite_name KEGG ID HMDB ID quantitated m/z medRt L-alanine C00041 90.05559 0.6636432 L-arginine C00062 175.1189 0.639622 L-asparagine C00152 133.0605 0.676321 L-glutamate C00025 148.0603 0.6849335 L-glutamine C00064 147.0761 0.6640787 L-histidine C00135 156.0766 0.6289637 L-leucine C00123 132.1017 0.6852111 L-lysine C00047 147.1124 0.6109412 L-methionine C00073 150.0583 0.6797432 L-phenylalanine C00079 166.086 0.6892406 L-proline C00148 116.0709 0.6809056 L-serine C00065 106.0501 0.6711783 L-threonine C00188 120.0656 0.6637021 L-tryptophan C00078 205.0969 1.72499 L-tyrosine C00082 182.0809 0.6820982 L-valine C00183 118.0865 0.6822338 L-cystine C00491 241.0291 0.6710554 Hypoxanthine C00262 137.0456 0.6828224 Xanthine C00385 153.0406 0.855554 2',3'-Cyclic CMP C02354 306.0502 1.686512 5-6-Dihydrothymine C00906 129.0658 0.6690186 Pyridoxamine 5'-phosphate C00647 249.0605 1.725679 5-Oxoproline C01879 130.0498 0.664988 Ascorbate C00072 177.039 0.6799067 gamma-Glutamyl-Se-methylselenocysteine C05695 313.0334 0.8509924 gamma-L-Glutamyl-D-alanine C03738 219.0974 0.8446888 (5-L-Glutamyl)-L-glutamine C05283 276.1187 0.6639972 L-Homocysteine C00155 136.0427 0.6818507 Dimethylglycine C01026 104.071 0.6873635 Ornithine C01602 133.0972 0.6067423 L-Citrulline C00327 176.1027 0.6639223 Spermidine C00315 146.165 0.6136907 5-Guanidino-2-oxopentanoate C03771 174.087 0.6823248 Creatine C00300 132.0768 0.6701563 Creatinine C00791 114.0664 0.6773025 4-Acetamidobutanoate C02946 146.081 0.6867251 N-Acetylornithine C00437 175.1074 0.680355 trans-4-Hydroxy-L-proline C01157 132.0654 0.6863788 Taurine C00245 126.0221 0.6880642 L-Methionine S-oxide C02989 166.0529 0.7417701 g-Oxalo-crotonate C03453 159.0274 0.6794577 8-Methoxykynurenate C05830 220.0577 1.747081 Serotonin C00780 177.1019 0.9529802 Acetylcholine C01996 146.1172 0.6791855 Choline C00114 104.1074 0.6653034 L-Carnitine C00318 162.1122 0.6673449 acetyl-carnitine C02571 204.1229 0.6827476 propionyl-carnitine C03017 218.1385 0.6838768 butanoyl-l-carnitine C02862 232.1541 1.694243 Hydroxybutyrylcarnitine HMDB13127 248.1483 1.750922 hexanoyl-L-carnitine HMDB00756 260.1852 1.800997 6-Pyruvoyltetrahydropterin C03684 238.0917 0.8494978 2-Deoxy-alpha-D-glucoside C03573 164.0665 0.6002908 N-Acyl-D-mannosaminolactone C03792 205.0574 0.6603554 N6-Methyl-L-lysine C02728 161.1281 0.627809 10-Hydroxydecanoic acid C02774 189.1483 1.857465 2-Oxo-7-methylthioheptanoic acid C17220 191.0762 0.632349 L-Kynurenine C00328 209.0918 1.417013 L-Formylkynurenine C02700 237.0867 1.468425 Anthranilate C00108 138.0548 0.7229602 Picolinic acid C10164 124.0388 0.5965942 Quinolinic acid C03722 168.0296 0.9021818