metabolite_name 2243_Ac0_1_TP4i 2243_Ac0_1_TP6i 2243_Ac0_2_TP4i 2243_Ac0_2_TP6i 2243_Ac0_3_TP4i 2243_Ac0_3_TP6i 2243_Ac10L_1_TP4i 2243_Ac10L_1_TP6i 2243_Ac10L_2_TP4i 2243_Ac10L_2_TP6i 2243_Ac10L_3_TP4i 2243_Ac10L_3_TP6i 2243_Ac10_1_TP4i 2243_Ac10_1_TP6i 2243_Ac10_2_TP4i 2243_Ac10_2_TP6i 2243_Ac10_3_TP4i 2243_Ac10_3_TP6i 2243_Ac1L_1_TP4i 2243_Ac1L_1_TP6i 2243_Ac1L_2_TP4i 2243_Ac1L_2_TP6i 2243_Ac1L_3_TP4i 2243_Ac1L_3_TP6i 2243_Ac1_1_TP4i 2243_Ac1_1_TP6i 2243_Ac1_2_TP4i 2243_Ac1_2_TP6i 2243_Ac1_3_TP4i 2243_Ac1_3_TP6i AB8n2_Ac0_1_TP4i AB8n2_Ac0_1_TP6i AB8n2_Ac0_2_TP4i AB8n2_Ac0_2_TP6i AB8n2_Ac0_3_TP4i AB8n2_Ac0_3_TP6i AB8n2_Ac10L_1_TP4i AB8n2_Ac10L_1_TP6i AB8n2_Ac10L_2_TP4i AB8n2_Ac10L_2_TP6i AB8n2_Ac10L_3_TP4i AB8n2_Ac10L_3_TP6i AB8n2_Ac10_1_TP4i AB8n2_Ac10_1_TP6i AB8n2_Ac10_2_TP4i AB8n2_Ac10_2_TP6i AB8n2_Ac10_3_TP4i AB8n2_Ac10_3_TP6i AB8n2_Ac1L_1_TP4i AB8n2_Ac1L_1_TP6i AB8n2_Ac1L_2_TP4i AB8n2_Ac1L_2_TP6i AB8n2_Ac1L_3_TP4i AB8n2_Ac1L_3_TP6i AB8n2_Ac1_1_TP4i AB8n2_Ac1_1_TP6i AB8n2_Ac1_2_TP4i AB8n2_Ac1_2_TP6i AB8n2_Ac1_3_TP4i AB8n2_Ac1_3_TP6i Valencia_Ac0_1_TP4i Valencia_Ac0_1_TP6i Valencia_Ac0_2_TP4i Valencia_Ac0_2_TP6i Valencia_Ac0_3_TP4i Valencia_Ac0_3_TP6i Valencia_Ac10L_1_TP4i Valencia_Ac10L_1_TP6i Valencia_Ac10L_2_TP4i Valencia_Ac10L_2_TP6i Valencia_Ac10L_3_TP4i Valencia_Ac10L_3_TP6i Valencia_Ac10_1_TP4i Valencia_Ac10_1_TP6i Valencia_Ac10_2_TP4i Valencia_Ac10_2_TP6i Valencia_Ac10_3_TP4i Valencia_Ac10_3_TP6i Valencia_Ac1L_1_TP4i Valencia_Ac1L_1_TP6i Valencia_Ac1L_2_TP4i Valencia_Ac1L_2_TP6i Valencia_Ac1L_3_TP4i Valencia_Ac1L_3_TP6i Valencia_Ac1_1_TP4i Valencia_Ac1_1_TP6i Valencia_Ac1_2_TP4i Valencia_Ac1_2_TP6i Valencia_Ac1_3_TP4i Valencia_Ac1_3_TP6i c_Ac0_1_TP4i c_Ac0_1_TP6i c_Ac0_2_TP4i c_Ac0_2_TP6i c_Ac10L_1_TP4i c_Ac10L_1_TP6i c_Ac10L_2_TP4i c_Ac10L_2_TP6i c_Ac10_1_TP4i c_Ac10_1_TP6i c_Ac10_2_TP4i c_Ac10_2_TP6i c_Ac1L_1_TP4i c_Ac1L_1_TP6i c_Ac1L_2_TP4i c_Ac1L_2_TP6i c_Ac1_1_TP4i c_Ac1_1_TP6i c_Ac1_2_TP4i c_Ac1_2_TP6i Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate0 1964511.935 23527828.59 991083.4555 27822436.23 1050256.249 18491725.03 1363279.517 10112753.79 734746.8696 117578450 1386265.852 58538384.72 1546917.773 38520744.43 1133163.165 27512567.19 0 38241569.88 698682.6197 178068649.8 1366676.662 31188872.91 736885.7673 23803200.1 261282.8101 26996680.33 0 95212437.39 1559309.762 57342140.24 1329626.159 16545477.67 1333136.866 17852975.32 1538964.51 7057248.933 1620833.669 56022909.59 1673613.598 26154669.63 0 34447560.08 0 32349986.49 1743798.124 52334246.17 2289204.63 49693571.94 1059686.699 24816403.77 0 44224567.57 3404199.98 44224309.58 915724.02 29708809.88 0 168643001.1 1467825.456 211869655 1887455.69 15251056.94 1463708.487 6272992.039 1373282.179 31352944.41 0 28424082.92 1145378.345 64977720.11 1245932.479 180685395.3 0 38292726.7 0 16074776.81 1470680.631 15127520.81 472368.3404 55051071.71 707649.6068 32653659.6 0 54964956.5 812393.2437 76004261.78 810244.0926 21351906.45 1914717.646 20701149.79 2155507.436 764668.2309 789220.0262 799531.3687 0 10952990.29 886561.8098 175709.1763 1242104.131 1092058.676 1166987.575 25350636.14 314369.5978 1574870.846 1226352.426 649294.5594 609138.3857 1626191.92 699396.8286 1000606.773 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 337628.4156 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate2 0 0 0 0 0 0 0 0 0 747412.1417 0 306341.8308 0 0 0 0 0 0 0 876158.8459 0 28566.35894 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 55555.75355 0 198154.7224 0 0 0 0 0 0 0 23423.71339 0 0 0 199603.6843 0 0 0 109403.2133 0 142681.0884 0 0 0 0 0 0 0 0 0 0 0 879146.621 0 0 0 0 0 0 0 124649.4334 0 34588.28408 0 135850.867 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate0 42146.38119 16288137.6 50771.65211 12906711.42 177128.3123 14278054.17 276453.1093 3072269.539 29124.16281 42677215.83 156180.6184 21440176.21 410277.847 13537654.68 0 13187778.43 314835.2632 13009207.84 27396.45043 60722146.3 0 10267492.51 74081.73991 7175608.324 78295.27827 4818156.256 1349841.898 27883937.76 0 10352535.16 490928.027 9055850.955 244541.1118 11936743.78 138397.5201 4276349.368 468996.4408 19739768.1 591980.555 8812553.342 0 10983793.46 478365.6842 9289904.842 417035.9303 14062924.26 473593.6156 13803270.49 450744.6824 7430373.082 434130.5387 15578529.25 181107.4057 17164372.76 22667.46195 10373034.13 168060.1203 61090367.55 0 73213274.33 0 6005093.855 663153.377 2585326.378 411132.3578 15363750.48 0 11543064.33 46785.20252 24188977.47 0 76311427.18 0 11108787.79 418500.5791 6451922.577 667505.9608 6611888.462 35027.46936 24356991.31 214954.3092 11842549.52 97647.44555 18174622.53 194386.2131 7703559.239 22866.45339 7437740.149 0 8635458.863 19320.19524 0 39887.26488 0 0 2524027.003 0 0 71588.01055 0 61333.56533 6357100.745 0 0 46653.8599 0 0 16267.65464 0 0 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5.619621178 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 42.27210431 0 0 0 0 0 0 0 0 0 0 0 165398.3517 0 0 0 0 0 0 0 68836.34121 0 32436.0348 0 53489.06631 0 0 0 0 0 0 0 0 0 0 0 30.42964383 0 0 0 34.43063725 0 0 0 0 0 11.0711861 0 0 0 7.361202714 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate3 0 0 0 10422.4336 0 0 0 0 0 46664.20443 0 0 0 0 0 0 0 0 0 165759.4422 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16801.17811 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 126382.3897 0 0 0 0 0 0 0 4.609899628 0 35.5066198 0 277926.7696 0 0 0 0 0 0 0 0 0 32.7943788 0 0 0 0 0 0 0 0 0 0 0 0 0 90976.57111 0 0 0 102938.4811 0 0 0 0 0 33099.91253 0 0 0 22008.04537 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate4 0 0 0 0 0 0 0 0 0 201310.9481 0 0 0 0 0 0 0 0 0 423669.909 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22974.39653 0 176954.6473 0 975925.9223 0 0 0 0 0 0 0 0 0 226271.8513 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate5 0 0 0 0 0 0 0 0 0 0 0 2.615299223 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.222385183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate6 0 0 0 0 0 0 0 0 0 388476.615 0 52725.50997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1795461.006 0 0 0 0 0 0 0 0 0 0 0 44804.20101 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_5-Aminovaleric acid_117.0787_7.79_ExRate0 0 18467423.06 0 15146779.95 0 23414913.28 0 2278966.476 0 38609868.66 0 14912375.44 0 8896484.089 0 15616185.23 1.969403011 10129462.43 0 70208567.77 0 9156511.311 0 6765725.689 0 11631614.53 861258.3135 27454351.88 0 22232934.8 0 12848241.92 0 22882111.01 0 7865140.323 0 17310184.4 0 7464587.853 0 10885453.46 77890.89565 8680810.043 0 8354826.53 0 13437616.47 0 7618723.857 0 12440214.53 0 11166858.04 0 7823402.942 0 48089287.69 0 72503920.62 3.779900319 18180755.42 0 5098579.153 0 61688741.37 0 10748022.83 0 27514745.41 0 82256792.53 318681.5189 12336662.64 0 6937532.587 0 11706454.33 0 25364436.26 0 13549751.14 0 19273136.89 0 33233423.52 0 7308636.326 0 11515685.02 0 18159997.13 1.836671598 45881908.61 0 50698944.94 0 8248675.386 0 31737256.29 0 86764120.36 0 44881804.86 0 37563018.04 0 23975605.13 0 35150794.18 Neg_5-Aminovaleric acid_117.0787_7.79_ExRate1 0 322296.0384 0 164234.2708 0 0 0 71558.60032 0 0 0 87516.14568 0 0 0 0 18886.27786 264438.6155 0 0 0 35025.0238 0 109868.5797 0 141443.5384 0 628228.9666 0 309159.8686 0 0 0 0 0 66607.54134 0 111756.0943 0 81354.02808 0 43178.92588 0 100016.1952 0 17094.3236 0 26999.46592 0 0 0 38371.50832 0 93471.55801 0 119344.5341 0 330032.3642 0 1186470.897 36248.67399 0 0 182024.2798 0 58708.06178 0 311780.198 0 0 0 144452.269 0 7663.924499 0 0 0 0 0 212480.5705 0 360027.4917 0 465316.841 0 42729.55353 0 202634.6654 0 122773.648 0 0 17613.40362 0 0 177445.0203 0 129605.3353 0 928959.7643 0 904985.8067 0 0 0 0 0 0 0 776924.0671 Neg_5-Aminovaleric acid_117.0787_7.79_ExRate2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36078.41407 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Azelaic acid_188.1046_1.448_ExRate0 1449466.788 1089601.191 666170.3407 1115439.898 893072.7688 1946778.899 1116677.109 603023.908 665412.7978 1019859.674 972841.6289 2013255.668 684420.3779 1144312.042 1528225.186 762484.0213 750715.7193 714167.0564 1242240.318 933459.398 7694164.286 1525707.873 1192331.791 1375151.853 938910.3113 2358693.834 1539852.563 1017595.397 924549.793 1396205.82 1430458.099 2345757.705 1135756.632 1742625.531 1324399.471 1324174.274 777501.9778 1381529.624 1271859.895 1019529.522 871638.5758 1264891.735 1029350.968 1370261.373 1134065.241 955888.9935 952037.7931 960217.719 2670378.71 767973.4664 1373249.502 563952.8952 929284.6215 899974.5236 1459906.19 1377620.396 933750.1393 2110458.891 1002174.454 2412222.334 1115566.536 1138745.967 1481832.158 1534318.261 1272013.249 3092672.622 878852.1077 1896009.319 841750.5192 1817014.572 877071.6944 1810060.071 760932.4241 1155007.099 862929.6547 1314004.689 760807.9126 2268135.944 1496451.517 847570.3724 1239530.3 1193708.452 1390058.633 688352.693 968943.6298 1626352.302 980418.0998 1197597.873 2028086.785 1477718.488 1437905.541 2121353.604 1787541.67 1885553.737 1846032.152 2037285.027 960848.1091 1886572.25 1196971.123 1186692.732 769462.3021 1311130.679 822612.3208 1361538.1 1396544.868 2673677.229 1420803.292 865092.6791 1106168.455 2311728.169 Neg_Azelaic acid_188.1046_1.448_ExRate1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2104.085072 0 0 0 19547.50465 0 0 0 1763.038174 0 0 0 0 0 0 778.711225 0 0 1184.969159 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24771.21305 0 0 0 0 0 0 0 17551.55969 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15441.1888 13019.77328 0 0 10283.37332 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Citraconic acid_130.0265_1.682_ExRate0 3244402.451 2835117.414 2789881.776 2904082.974 2692618.654 7208257.817 3137003.961 2776003.149 2531971.227 2067649.564 2452647.845 2580545.332 2839315.432 1877137.031 2604363.483 2729746.723 2697849.258 2540686.613 2739350.04 3069632.658 3380553.053 3100747.874 2811282.975 2668199.693 3350753.593 2756085.964 3076159.167 3139604.39 3306210.917 4356322.654 2734377.545 2739571.769 3129742.936 3899631.124 2658734.423 3714221.549 2329582.322 2253677.319 3206115.471 2512946.817 2758177.031 2638371.843 2818760.16 2417472.297 3126753.061 3159614.288 3918667.383 2951662.412 3272384.369 2132767.923 3419111.887 2371166.215 2917007.146 2331197.183 2604275.181 2526508.941 2701659.948 2305046.746 3148878.822 2929992.561 2838198.887 2946152.651 3479773.688 2431456.392 3917686.876 2653138.392 2465474.487 2296577.155 2493896.267 3207974.663 2005483.995 2392794.849 2836341.66 2590047.514 2815394.824 2772992.265 3010213.175 2836388.238 3206775.222 2866590.319 2770528.177 2246643.222 2831653.214 1998214.986 2921553.01 3070637.348 3000713.391 2398187.148 2653118.867 2652096.15 3236303.448 2183690.229 2871334.835 2512773.447 2875626.144 2239978.567 2846890.887 2265380.084 2640785.154 2995176.336 3377773.927 4951941.269 3292020.008 2512323.423 2474361.656 2721181.374 2831239.974 2453921.53 3068895.823 3050209.357 Neg_Citraconic acid_130.0265_1.682_ExRate2 0 0 0 0 0 0 0 0 0 23752.74259 0 0 0 0 0 0 0.657709317 0 0 204493.339 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28461.63184 0 21826.04853 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 104236.8419 0 0 0 0 0 0 0 43628.39672 0 27476.75014 0 61733.94009 0 0 0 0 0 0 0 0 0 0 0 0 0.467969821 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Citraconic acid_130.0265_1.682_ExRate3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 38808.91446 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27613.11156 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Citraconic acid_130.0265_1.682_ExRate4 0 0 0 0 0 0 0 0 0 147375.5058 0 77175.086 0 0 0 0 0 0 0 228677.2382 0 15973.01658 0 13627.75032 0 0 0 0 0 0 0 0 0 0 0 0 0 112705.7385 0 43572.85969 0 0 0 0 0 0 0 0 0 0 0 25680.98025 0 44087.39358 0 0 0 0 0 0 0 0 0 0 0 0 0 54502.22332 0 136187.2094 0 512724.3545 0 0 0 0 0 0 0 130041.8818 0 67992.53704 0 93412.2796 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Citraconic acid_130.0265_1.682_ExRate5 0 0 0 0 0 0 0 0 0 0 0 0 0 23474.35249 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 40008.84538 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12497.24726 0 0 0 0 0 0 0 0 0 0 0 119367.6084 0 0 0 0 0 0 0 0 0 0 0 112478.1129 0 0 0 0 0 0 0 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate0 0 53358.03461 0 34167.1626 0 29098.22937 0 0 0 0 0 0 0 509152.8854 0 586687.3543 0 681147.9324 0 0 0 195614.6492 0 152734.0931 0 210959.1886 0 147635.1074 0 394080.9317 0 430432.6098 0 243316.0889 0 223800.2097 0 38860.96931 0 80372.24626 0 84309.33121 0 587037.6892 0 1245301.56 0 661932.5004 0 311668.3323 0 97315.78755 0 146948.5834 0 493341.1678 0 22186.74711 0 74643.95044 0 0 0 20785.43769 0 0 0 0 0 0 0 0 17048.24128 338935.6086 0 286524.9817 112982.684 761674.6891 0 0 0 0 0 0 0 120302.5433 0 267511.9591 0 153732.7667 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate1 0 0 0 0 0 0 0 4.818749066 0 9.442060122 0 0.021422296 0 0 0 0 0 0 0 0 0 13145.20746 0 17008.54326 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9281.338636 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8.697716153 0 0 0 0 0 0 0 0 0 0 0 0 0 11.83294459 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate2 0 0 0 0 0 0 0 37372.091 0 73228.45105 0 110743.8136 0 0 0 0 0 0 0 0 0 297074.3012 0 319501.1578 0 0 0 0 0 0 0 0 0 0 0 0 0 111408.7075 0 382272.4545 0 464393.503 0 0 0 0 0 0 0 288210.5692 0 103042.717 0 81736.33508 0 0 0 0 0 0 0 0 0 0 0 0 0 67455.64775 0 0 0 0 0 0 0 0 0 0 0 0 0 91771.09581 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate3 0 0 0 0 0 0 0 0 0 0 0 22595.97026 0 0 0 0 0 0 0 0 0 33901.65032 0 68112.63307 0 0 0 0 0 0 0 0 0 0 0 0 0.279438777 36716.67437 0.198772499 74060.06094 0.221540827 110148.7631 0 0 0 0 0 0 0 5592.585656 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.551300113 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate4 0 0 0 0 0 0 0 75948.35452 0 72464.72206 0 326857.8639 0 0 0 0 0 0 0 0 0 198400.0593 0 209542.8116 0 0 0 0 0 0 0 0 0 0 0 0 11819.21344 55801.68291 8407.33205 599028.4233 9370.347026 706100.5844 0 0 0 0 0 0 0 45602.18148 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195564.8979 0 23317.92951 0 0 0 0 0 0 0 0 0 0 0 81276.20444 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19028.92662 0 20614.53935 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_DL-Tryptophan_204.0896_6.867_ExRate0 18585.18966 11512210.16 0 12593452.41 138600.9467 19178317.66 125995.4548 2080420.597 0 22657368.94 124690.8026 11770308.27 466676.9383 6530712.343 220855.163 8308579.609 385567.758 9097087.043 47348.63011 27335067.9 164259.1675 6263092.985 86883.1728 4900748.193 42226.04575 7277229.881 1637763.539 21008322.44 31188.10684 14641664.44 86624.59176 7825642.413 52850.96833 13513113.48 71039.87341 5754824.623 105301.926 13604241.11 200191.3698 5370411.988 234074.0433 7901258.164 515986.4893 7814524.218 323610.7518 8928136.72 482262.4736 10801857.06 211042.262 5361588.864 667870.757 8868059.175 264194.2706 8161617.083 41161.5788 6431167.449 141761.93 33494735.05 324193.0224 42551518.81 129504.1247 11972144.66 196290.9359 4357467.54 43021.74311 41203965.25 130569.5831 8475433.782 125774.5172 18319231.93 0 38542081.02 682634.6966 8263376.391 402531.0537 5608576.884 692806.6155 6196404.565 59730.50042 16909337.23 137282.1746 9433152.534 448127.7 15069088.05 187060.3712 19108312.83 20293.12973 5951846.518 56785.69413 8060415.964 0 13048362.61 244656.0555 23055897.87 94245.59301 32366327.01 80891.93957 6417864.05 40804.93961 21865689.07 97206.90013 38723397.38 0 27734613.93 94586.77182 20491365.64 381586.4144 15501558.91 385760.1452 30368187.15 Neg_DL-Tryptophan_204.0896_6.867_ExRate1 0 91383.65453 0 3895.537897 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33476.50863 0 0 0 0 0 0 0 11397.91243 0 9107.027926 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 93815.03936 0 0 0 0 0 17629.30326 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_DL-Tryptophan_204.0896_6.867_ExRate2 0 13347.10336 0 31976.32487 0 45823.03923 0 0 0 65678.62466 0 54442.89992 0 0 0 18063.05146 0 16672.83244 0 115506.6568 0 15934.08564 0 0 0 0 0 72425.08446 0 0 0 12752.38326 0 29552.89814 0 0 0 0 0 19317.9404 0 17311.75459 0 17428.23286 0 23861.21764 0 36871.81567 0 0 0 31464.56068 0 0 0 0 0 99806.82063 0 110761.5625 0 32906.67685 0 0 0 187381.6249 0 27952.88707 0 43004.08802 0 121945.541 0 21552.02988 0 10026.00223 0 0 0 51716.75939 0 0 0 58003.97381 0 72422.44387 0 20277.52286 0 0 0 24900.40891 0 48791.38798 0 90072.19855 0 13769.24719 0 92693.07502 0 139559.2298 0 85346.94359 0 79091.04414 0 0 0 52013.55646 Neg_Dodecyl sulfate_266.1549_1.118_ExRate0 3246143.158 2236984.832 1141772.693 1363650.017 1278370.927 1508092.732 1066050.415 1425348.364 359382.3321 2997554.571 1651661.573 2325948.729 2144157.979 1762257.455 2189192.464 13494091.21 2322838.784 1010585.013 3054501.087 2179235.295 16073031.34 2936053.477 2918582.777 2719821.308 1483105.675 2439324.049 2544435.305 1853950.465 1910048.458 1246460.515 2595464.982 829238.3512 3140195.948 999028.9679 4387797.098 3403218.415 1850581.818 2307458.169 3326013.293 1907386.547 664171.5302 1575060.752 988502.536 2444458.293 2576573.855 2931501.812 2656130.567 1722199.764 2310443.934 1464987.353 5299472.137 1465734.783 783108.6311 1602891.82 3323140.327 2146659.956 2370969.693 849338.6283 2832356.967 2011262.346 2492393.028 1799472.96 2819948.98 980904.2594 1499695.141 4094248.066 3018569.777 4097776.355 1742970.278 2513689.135 2227045.475 1500714.636 1596351.369 1255935.138 2766520.525 3526232.533 3367958.279 2015324.456 3526368.043 1011971.605 4951579.276 2070983.747 3218975.678 741408.7191 3841472.138 4177294.509 1940867.945 1593542.902 4042175.83 867829.6617 3104833.846 2187755.496 2161277.025 968356.9545 3540423.108 3748499.956 2351089.212 3012651.911 2433703.67 1505279.9 1394485.126 1976740.74 1662004.23 2548508.146 3293692.522 1569473.291 2595676.763 976435.3433 2815652.238 3353927.001 Neg_Dodecyl sulfate_266.1549_1.118_ExRate1 0 4525.550437 0 0 0 0 27556.87324 0 0 68560.76421 72583.4712 0 40785.72481 0 35494.04632 0 0 53466.31826 0 0 334212.8826 19928.83897 0 22340.08185 0 25136.92849 0 30997.37673 72419.65964 0 0 0 49488.07984 25971.11785 0 144253.2569 0 0 0 23616.27538 0 0 0 0 0 100801.6094 0 12193.17794 0 0 82515.20271 0 8147.103259 0 0 0 88145.02916 36810.58774 0 0 0 0 0 24083.02037 148186.6583 0 0 162963.6988 0 0 0 0 0 0 26368.71667 125148.108 0 0 0 0 7090.269637 0 0 0 0 0 93883.07211 0 0 0 1807.084913 0 0 0 0 0 15007.71032 0 0 0 0 69482.04532 0 0 0 0 0 0 0 0 Neg_Dodecyl sulfate_266.1549_1.118_ExRate2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7939.922665 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Fumaric acid_116.0107_1.713_ExRate0 5616071.313 3994402.79 4367399.198 4095626.239 4597022.031 9894724.928 4965118.916 4068011.179 4050977.207 2996976.574 3746968.384 2777314.971 4059957.262 3063691.091 3994542.538 3903849.51 3974491.097 3372312.311 4486080.918 3768110.824 7282088.095 4128716.939 4220070.496 3652425.427 5614117.836 4103094.428 4697149.115 3461928.415 5417768.959 5195167.729 4530697.276 3300275.964 5065010.728 5100808.361 4235050.71 4338908.117 3298575.783 2891693.979 4693784.311 4024909.702 3865712.248 2874277.679 4625101.727 3638108.61 4561853.634 3327145.273 5119270.553 4422132.229 5618247.307 3128677.928 5564025.642 2663306.789 4961971.955 2771248.523 4091334.602 2939523.218 4533259.767 2804779.427 4811281.14 3518670.738 4744941.375 4241558.243 5595069.47 3706226.855 6080404.753 3204115.612 4065414.267 3008999.396 3987533.565 3921130.492 2832802.959 4282108.333 4096443.696 3099053.84 4316569.969 3378311.142 4550661.519 3839607.154 5869042.03 3210662.417 4390480.293 3569726.755 5032408.8 3556365.987 4311790.698 3337609.698 4409012.597 3393773.571 4356782.364 4599811.764 5096724.375 2955952.147 4224402.302 3099899.84 4254883.417 3428249.379 4360573.255 3393758.57 4331178.426 4534122.281 5043015.579 6539441.715 5605926.705 3898150.598 4162729.249 3752079.049 4488488.623 2185249.477 4499428.119 4202950 Neg_Fumaric acid_116.0107_1.713_ExRate1 0 0 0 0 0 0 0 0 0 0 0 87811.4596 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Glutaric acid_132.0421_2.865_ExRate0 916893.9637 1424289.961 689745.2528 1463423.207 871808.8024 1323479.608 953181.8679 444864.6173 920195.9768 1660854.769 614620.4228 1140647.736 820737.4239 592797.7713 746361.0217 860683.3836 648437.0129 573756.0651 1056377.375 2225176.406 2640915.678 1012878.541 941480.6999 770657.0204 1181898.566 2394192.823 1171314.731 2273316.956 721913.2345 1178610.972 1262199.007 1080495.65 787886.1698 1191257.152 926910.9576 680285.8285 656160.5034 1406586.765 952969.544 906989.7658 787658.2933 1282554.052 1027115.972 416353.3577 715663.3965 1087678.811 858288.1586 735298.2273 1274066.374 696438.8625 974221.8658 834539.4367 882368.6486 879088.5408 969907.7867 1274175.862 725642.7603 868137.8493 882883.9838 1201967.629 858860.8504 1273416.987 1169149.574 777293.4959 1044595.837 1211999.646 1001242.451 973815.2102 597153.4139 2058174.786 840758.3613 4001805.595 671692.5273 814607.688 684111.004 530546.288 614472.3583 352579.4644 1026945.551 1094275.8 999955.0636 1028127.58 1075956.368 1275687.449 743141.8414 2431927.519 892455.7122 1252191.257 1056788.565 1003821.696 737724.796 1928090.054 905702.3945 910490.6101 1068923.569 1777485.686 1002205.481 1118266.523 979382.1506 2863098.441 693128.3823 1225348.989 805963.3033 2253377.916 791069.7401 2039824.255 932124.6795 954839.1354 800899.6596 1394709.247 Neg_Guanine_151.0492_6.5_ExRate0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 252454.778 0 86549.30956 0 928928.8366 0 181734.6116 0 400516.7365 0 1146968.563 0 183575.4518 0 126281.7004 0 142266.0968 0 343051.3236 0 222096.064 0 314729.449 0 489573.9185 0 114203.715 0 188946.8916 0 322816.907 0 434520.9766 0 645394.0531 0 136743.2118 0 566356.6765 0 1211245.319 0 682764.3215 0 526212.7036 0 335282.8959 0 630794.1069 Neg_Isoleucine_131.0943_7.219_ExRate0 0 10814608.01 0 10280238.06 0 17529009.49 0 1059530.116 0 26529801.82 0 11379181.1 0 4566872.8 0 6120182.306 0 6065476.264 0 43091177.1 0 4122111.549 0 3330255.57 3.986719412 4928252.767 297920.6087 18864183.47 0 12959853.36 4.605150025 5856950.889 0 11582315.13 0 3352539.064 0 10097653.68 0 3348731.369 0 4848277.609 29090.81408 5778290.156 0 7146259.676 0 8043637.11 0 3223981.653 0 6349291.088 0 5364131.546 0 4811270.432 0 35615865.06 4.050229096 51766927.53 0 9361758.621 0 2514229.8 0 50375757.03 0 7544570.067 0 17473083.96 0 64007180.51 0 6296378.278 0 3512292.843 0 4967534.905 0 14795045.93 0 8157006.273 0 12474756.43 0 21902730.63 0 4042608.967 0 6214962.293 0 10526405.39 3.941679893 25857808.76 0 40837857.54 0 4935920.241 0 25938028.32 0 70291847.75 0 35783821.87 0 25739468.68 4.165153946 12315356.38 0 33927616.2 Neg_Isoleucine_131.0943_7.219_ExRate1 0 103814.9979 0 84162.25145 0 0 0 60459.3209 0 0 0 51842.67616 0 89516.45183 0 113769.0652 0 70295.78601 0 263508.8322 0 66055.09347 0 67017.8743 20376.33458 93858.04021 0 0 0 0 23537.16628 39544.76395 0 33932.02466 0 44498.06331 0 32453.71288 0 73407.30927 0 44632.10761 0 69223.94015 0 26931.48981 0 101969.7338 0 45484.89731 0 337665.5625 0 137519.0329 0 38980.42546 0 34087.98704 20700.93595 0 0 83204.86348 0 63748.87929 0 208088.8378 0 130897.0439 0 0 0 138680.5307 0 130525.9411 0 55811.24279 0 45502.23431 0 27980.86857 0 68918.06536 0 28836.58144 0 3600.402623 0 55623.21307 0 167439.5465 0 67240.51277 20146.13521 0 0 261060.019 0 127243.5488 0 0 0 95622.22341 0 0 0 0 21288.32295 0 0 0 Neg_Isoleucine_131.0943_7.219_ExRate2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27400.43708 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 62662.69311 0 51551.75966 0 0 0 0 0 26759.19921 0 0 0 0 0 58136.53543 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19777.38766 0 31384.8148 0 0 0 15040.88998 0 69386.41052 0 21983.71125 0 0 0 0 0 0 Neg_Isophthalic acid_166.0264_1.78_ExRate0 1087622.941 742096.2131 623143.9476 588829.4705 781373.9018 1456866.117 767474.8951 495256.4282 444966.0277 982752.6048 884655.8115 1011194.998 989797.3741 675224.3211 595414.2536 707698.0201 575297.2823 806415.3211 1518274.174 2321563.755 6632510.715 5120256.304 854963.4987 1066403.169 1018708.995 3278905.245 1977275.77 1312764.535 953274.5785 1175648.525 946019.963 788285.0182 802826.6272 956837.8071 1022790.508 676570.7553 732418.8746 760045.823 882285.6907 682686.3572 791941.1668 1026626.665 955379.7302 982528.2192 899984.3393 936216.3187 1838505.275 850312.9218 1250470.362 758094.7844 933437.7115 837894.2214 773947.9526 1161569.128 789493.7518 786437.6528 882352.735 1184851.343 723914.3215 2691850.064 1139469.342 729613.9052 1008837.01 679183.4713 1185964.209 1422092.603 558909.7823 2002197.435 578402.1798 1334536.527 888022.7209 1401747.138 532897.9053 750474.0168 865471.0696 1293017.609 533268.9026 662877.8577 1173509.899 880491.8258 847171.7655 896207.032 1150479.615 728416.6759 813431.4294 1383852.016 743099.7152 905048.1843 874071.0167 3493349.748 1275106.874 922595.2087 974371.9045 743577.1865 13193573.16 1024084.584 999500.7624 735865.0862 563970.3667 1183847.043 743126.2055 1635178.486 1316900.964 1358000.734 1265199.531 990279.4932 839978.3471 480271.3468 685455.4367 1522735.893 Neg_Isophthalic acid_166.0264_1.78_ExRate1 0 0 0 0 10029.73462 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2922.315452 0 0 0 0 0 0 0 1123.155461 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8119.940814 0 4570.180728 0 0 0 5144.782021 0 0 0 24921.04985 0 0 11572.86949 0 1686.705274 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16581.08177 Neg_Isophthalic acid_166.0264_1.78_ExRate2 0 12.17383953 8.517902877 0 0 0 49.29979233 0 0 17.4152289 25.19892653 13.85681019 18.28699395 0 38.3855412 0 10.10434215 23.60274222 12.33617516 0 34.05790754 0 0 0 0 0 8.881097513 10.81542899 0 0 0 18.53667184 0 17.61831269 12.33577985 15.48955992 48.94961129 0 0 27.32611838 35.18812942 22.38027239 18.86119059 0 0 0 0 21.15686303 38.08478385 0 11.13922995 25.34887757 37.82654335 0 21.71584398 20.28279583 39.06272797 89.98694524 18.60642878 0 0 23.32294308 6.442067918 0 0 20.02550806 0 18.73411115 30.89475343 0 12.60370707 35.48975619 30.0423328 11.7247046 13.92121272 11.31249574 0 0 167.2417278 16.4820613 40.36762439 0 0 0 0 0 0 17.50565323 33.19063577 0 12.64777565 0 0 12.49740183 20.61706927 0 69.49361322 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Isophthalic acid_166.0264_1.78_ExRate8 0 0 0 0 36965.87925 0 0 0 0 0 0 0 0 0 0 0 0 0 10363.23217 0 0 0 0 0 0 0 0 0 0 0 61832.70705 0 30870.2385 0 53269.44162 0 0 0 0 0 0 11291.89563 0 0 11505.45089 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20143.39452 0 31064.71892 0 65770.9539 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9837.637428 0 0 0 0 0 0 0 Neg_L-Cystine_240.0236_9.945_ExRate0 0 20242736.94 0 21208978.14 0 37679295.88 0 12348427.79 40324.23986 30189511.94 0 12130818.65 0 11358523.4 0 9805288.757 0 25734362.8 0 35082233.83 0 6777334.336 0 8126214.872 0 12705438.35 1402031.813 36666905.05 0 39278511.87 0 10549027.72 0 29617582.98 0 12345856.13 68013.20298 9496140.919 340477.2875 4205571.523 88060.70124 5780570.466 0 14772508.58 0 8723293.478 0 23179190.51 0 3668387.23 840567.5258 9174089.883 0 7950208.81 0 7857020.475 0 43712136.45 0 56095110.03 0 10496874.54 0 6477817.171 0 72168206.09 336382.4698 10602269.47 50296.28051 23570510.39 0 33377690.63 227538.6615 12349859.62 0 8361089.154 535222.9736 9792761.505 0 24924948.07 327319.9838 12168082.94 0 23728831.28 0 37401146.63 0 9047377.08 0 19529559.4 0 22989525.14 0 36038410.94 296286.152 14772521.06 154061.0099 7082047.421 0 34361741.01 0 114573586.8 0 33256083.04 0 29986415.54 0 28612184.01 0 51804326.36 Neg_L-Cystine_240.0236_9.945_ExRate1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 86068.59684 0 0 0 0 0 0 0 0 Neg_L-Histidine_155.0692_9.495_ExRate0 0 94914916.59 0 88385967.07 0 262906617.7 0 47515363.24 0 293471852.4 0 80660478.79 0 38830045.89 0 55368410.46 0 62970026.15 0 188346566.2 0 36857375.36 0 27649373.22 0 50037052.83 17722983.16 315361178.5 0 116410401.6 0 55540362.48 0 108620515.9 0 33491007.04 0 64077151.9 0 20721637.02 0 32358754.37 0 47539378.26 0 38741575.1 0 68383213.83 0 16749297.54 0 42240272.2 0 39055279.77 0 24935152.64 0 153365884.3 0 166438303.4 0 109128680.6 0 21799158 0 170047141.5 0 46702387.1 0 90882315.46 0 269044530.8 0 54000413.48 0 30739138.05 0 40027349.79 0 0 0 62388130.19 0 283981828 0 355210065.4 0 31998871.78 0 56750451.03 0 101155344.7 0 114628998.5 0 148525524.6 0 52783404.12 0 139169843.5 0 276720477.1 0 185860275.7 0 133175063.9 0 134659619.9 0 245927337.6 Neg_L-Histidine_155.0692_9.495_ExRate1 0 0 0 0 0 0 0 0 0 5683057.366 0 100837.5028 0 0 0 0 0 8660.698288 0 0 0 30142.87338 0 0 0 0 0 0 0 313134.2113 0 0 0 130990.5309 0 74145.34054 0 0 0 0 0 19886.93226 0 0 0 0 0 0 0 0 0 399874.2728 0 28718.08365 0 0 0 0 0 0 0 0 0 0 0 647224.0661 0 268723.659 0 0 0 1049684.547 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28780.48132 0 1336254.506 0 0 0 0 0 0 0 0 0 0 0 14025407.99 0 0 0 0 0 0 Neg_L-Histidine_155.0692_9.495_ExRate2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19189.17286 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_L-Phenylalanine_165.0787_6.898_ExRate0 0 36235728.96 1873083.885 40183088.8 513116.759 59082711.15 333839.5772 5689644.118 174245.4929 70831981.9 642214.9644 41872089.92 1342233.37 18174967.32 666551.7202 25160474.28 1029184.115 28029385.6 365775.2108 78422653.18 951371.2657 20069858.46 214529.3785 14357148.27 668139.7123 22074574.3 5299923.657 66281126.89 260867.3683 46473105.19 320896.6484 26092242.66 187745.5308 37449725.1 192852.0534 16504818.93 401263.4278 38227766.15 787129.8963 16213516.73 423223.115 23465707.11 1525018.781 25061690.14 1490966.882 28319733.61 1577861.938 36048017.5 686213.2425 15859710.44 1740499.841 28074385.21 808116.8805 26458855.77 317094.0448 19819562.23 809868.1705 91419443.61 1237683.098 115424250.9 318996.4377 36857518.5 1514033.89 12105506.51 271910.4858 110285743.1 734779.1789 26328148.9 485101.2938 51237227.36 488358.5191 138170426.9 2244254.809 25488795.87 1179221.031 16474838.32 2030048.114 19465140.15 197758.3674 51257564.15 668125.7472 30599171.61 1465575.785 50596623.07 535883.2344 61813611.8 303712.1404 18167102.73 288586.5789 25166208.2 193758.9438 39210408.48 1078060.622 56673044.91 697196.6501 94223017.94 490191.6755 19841345.57 179507.094 61452261.47 281892.5164 104446668 266308.6249 84928130.84 304953.2658 53526917.97 1776668.888 45232930.16 1133790.18 79389631.51 Neg_L-Phenylalanine_165.0787_6.898_ExRate1 0 0 0 16710.7477 32283.65935 0 0 0 0 298559.5095 0 0 0 128382.9462 0 166705.6037 0 0 0 78710.71386 0 0 26634.03709 122074.8997 27357.17335 227157.9274 0 0 0 0 48619.57697 28393.59757 0 0 55785.56907 50420.65452 0 0 0 0 8723.877519 0 14810.27286 0 0 32609.50211 39423.37351 0 0 156092.401 25276.0758 240187.0165 0 74.82641608 0 19481.16842 39287.50051 0 0 98176.80857 137536.6987 199725.1573 53556.15007 30692.90471 0 347899.9533 0 129663.8896 0 156686.2337 0 0 0 0 0 0 8622.120924 0 0 89045.06628 0 0 0 0 0 23712.38238 0 179499.0378 0 0 0 76756.00123 34883.61628 0 0 56383.18006 0 21434.85984 17842.45199 0 34892.62093 721110.8496 13981.97832 0 22825.25408 0 0 38799.1358 0 0 Neg_L-Phenylalanine_165.0787_6.898_ExRate2 0 58897.46985 0 70497.98113 0 136126.1625 0 0 0 107105.4679 0 74108.71997 0 30702.78372 0 34528.02635 0 54225.47538 0 160978.3328 0 35543.90368 0 12778.94216 0 25132.14743 0 132711.6306 0 68955.75045 0 48740.23637 0 62503.1798 0 18544.92752 0 67552.43145 0 23348.27661 0 44765.48651 0 42744.64026 0 60205.02971 0 65835.04706 0 12181.11434 0 31592.77912 0 47188.34389 0 28953.64265 0 182861.2972 0 241590.9683 0 60234.41035 0 22473.14243 0 210440.4211 0 49186.02314 0 84177.38321 0 288924.9882 0 43957.00266 0 27697.85411 0 22301.21674 0 87465.88656 0 52114.16151 0 101550.7356 0 103927.4456 0 9073.356714 0 45798.17268 0 64178.73022 0 116779.8625 0 186513.1563 0 36867.57477 0 98834.63175 0 162872.7586 0 207488.2628 0 101960.145 0 88421.04383 0 196035.3137 Neg_L-Tyrosine_181.0737_7.698_ExRate0 0 1761218.389 0 1617187.025 0 2505791.867 0 367311.7118 0 3580752.507 0 1647740.916 31790.64911 688088.8348 0 1317253.543 20579.31355 1654864.104 0 8215666.238 23532.46729 897080.6236 0 637533.222 0 981663.2893 69990.97205 2326500.666 0 2119487.822 0 1163064.24 0 1918669.906 0 910470.8206 0 1465397.219 12577.53621 738255.3165 0 990936.5325 22662.98324 1263478.701 15214.00881 1108339.87 32796.69083 1373326.027 0 701289.7992 30381.73999 1162556.37 16852.0135 1200214.337 0 808842.5952 0 5172915.183 23036.82357 8343417.711 0 1591608.734 0 500244.5113 0 5789662.192 0 1133620.389 0 2521089.583 0 10108705.52 36588.28342 1061129.896 30460.06507 706965.9454 42142.49152 678394.9151 0 2089778.706 0 1563093.522 0 3041130.184 0 3120139.443 0 822036.5473 0 1000169.541 0 1496520.224 12788.37544 3153760.826 0 5015004.584 0 940909.695 0 4417970.644 0 8453936.776 0 4307582.937 0 2901991.95 35122.91581 1804077.309 11256.47363 4058319.916 Neg_L-Tyrosine_181.0737_7.698_ExRate1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17200.7391 0 0 0 0 0 0 0 0 0 0 0 20219.09722 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Leucine_131.0943_7.039_ExRate0 0 44515615.59 0 43503926.07 0 61166636.61 351250.7842 7002190.647 3.507404249 82231301.62 261790.608 44914377.42 833310.5219 24031991.27 246509.8556 31374552.23 548123.6406 32603861.55 0 104541669.2 480090.5523 23649601.59 0 20126142.27 3.685590826 28639547.19 3657846.633 66400414.8 3.679102613 56379829.12 0 29754952.96 0 50242831.43 0 20858637.6 6.47577021 45135555.51 434738.8349 21148198.71 486606.5856 28631982.99 1048121.847 30168705.49 750469.8155 32373719.84 1059819.793 38934996.2 6.026336852 20861815.38 1197926.947 34968573.81 432028.5763 33337201.37 4.613534647 23886939.61 9.686323735 99473680.22 757495.7504 119160775 0 42792020.69 33.42631039 15650304.49 0 120414759.7 410395.4426 32414950.36 2.452071743 65469611.13 9.682031127 143839455.1 1392026.291 30680117.06 714865.5372 20633273.96 1451801.676 23740672.36 2.295176735 57361405.4 199155.3683 35251013.33 771314.3989 55456976.97 10.4380215 72451100.21 4.556627443 21805623.5 0 31422493.32 8.666665118 46500669.29 26.86794768 65965017.53 333605.3899 94621460.93 0 23564067.69 11.57879841 71363654.25 0 143853619.7 0 93727177.48 4.55592229 64294374.08 895121.7259 51241826.09 594689.9332 86785064 Neg_Leucine_131.0943_7.039_ExRate2 0 54594.16196 0 44651.88277 0 72188.35889 0 0 0 170198.8222 0 70990.2399 0 22066.15444 0 38329.90557 0 39055.74725 0 215483.9438 0 29973.90552 0 23114.46876 0 28584.52275 0 70801.9463 0 60181.25619 0 36262.09223 0 39082.92449 0 8867.364653 0 120339.1857 0 53234.50113 0 73771.54884 0 26809.60869 0 37219.11162 0 36457.58316 0 28879.66234 0 61219.99637 0 52616.91501 0 21923.76275 0 123334.5547 0 163062.2827 0 55274.62435 0 12805.17727 0 166618.2477 0 50802.39382 0 114043.4632 0 298551.6257 0 37268.87331 0 16859.44124 0 23154.85481 0 95558.45749 0 47820.28651 0 72843.56233 0 94979.3183 0 10416.30274 0 24156.67928 0 56698.99016 0 83478.09211 0 140479.3866 0 24159.81708 0 110314.0384 0 179815.1958 0 131900.9928 0 88322.61227 0 71831.49613 0 126016.4244 Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate0 0 3236041.461 0 3251321.908 0 4305013.742 0 367250.486 0 5719115.364 0 2747656.502 177476.0716 2223979.877 67075.28302 3244048.896 149284.6672 2758709.02 0 9245425.078 57575.48148 1864710.268 0 1431105.861 0 2533050.444 458169.8886 5844762.085 0 4709336.261 0 2493946.177 0 3428909.296 0 1396221.408 0 3139077.929 17921.48487 1312516.853 14906.45179 1830290.674 291749.8397 3000202.556 252587.2996 4262082.285 244100.7895 4113921.363 97982.99543 2327759.723 173432.637 3043062.935 37042.36975 3173358.583 123634.0552 3590139.242 124411.6035 10674089.11 184979.6089 14181738.98 15762.59394 2970401.059 24508.27342 1097078.283 0 9567881.47 28734.02875 1877616.316 0 4518443.467 0 12993567.41 322129.1797 3589175.555 246542.3023 2695776.003 196848.0078 2722971.099 0 4526560.012 0 3011087.207 72942.19077 4332094.73 161620.0183 7623696.186 0 3015034.598 0 3448086.287 0 2746827.266 0 4510382.248 0 6710547.798 0 1271398.982 0 4744007.003 0 12099001.27 0 6310796.764 0 4642264.203 99781.76104 3259363.357 81102.88216 6179751.307 Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate1 0 0 0 0 0 0 30.7552891 0 0 0 17.69291066 0 0 0 0 0 0 0 10.08761862 0 0 0 20.46508698 0 0 0 0 0 0 0 0 0 0 6980.612699 0 0 46.94710171 762.9604485 0 0 0 5883.641753 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 41.54545226 0 30.95611148 0 0 0 0 0 0 0 4.533681195 50427.09151 21.22006866 25076.19723 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate2 0 0 0 0 0 0 90750.50415 132093.0859 0 2133547.983 52206.97347 1046005.175 0 0 0 0 0 0 29765.82249 1387351.264 111878.9219 605265.1213 60386.9128 514021.7446 0 0 0 0 0 0 0 0 0 0 0 0 138528.145 1775015.467 161491.4927 1280515.757 144415.9571 1439904.316 0 0 0 0 0 0 232487.8812 887952.3349 184801.744 837756.8225 119908.3359 751553.4901 0 0 0 0 0 0 0 0 0 0 0 0 124581.9707 1350171.141 122589.3447 1933386.387 91343.07644 4966680.894 0 0 0 0 0 0 13377.66174 1522588.567 62614.65867 1212423.243 101826.047 1198018.669 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate0 181515.2309 987243.5917 499787.5594 1370058.056 199562.3274 1559412.687 584777.7449 225458.319 89282.21834 1998493.554 175396.2904 1116884.338 401924.7816 1139515.97 258544.7887 1369713.131 575417.7772 1640423.138 130872.2674 1188000.856 372846.9976 840853.6685 219591.5373 871248.7747 331656.1776 941006.5569 735724.3907 1825303.486 77795.2768 1738155.934 293563.8037 982168.8138 0 1391886.846 0 873457.2274 139274.3679 728672.8595 235093.5671 854878.7758 310162.9294 522583.7758 414176.2718 1526185.593 488681.3009 1491373.879 315313.3165 1471758.274 271178.0334 593288.5585 384050.212 814089.6754 1468791.015 1034702.624 270590.9218 690006.1337 178060.7315 2050445.053 399214.5522 1537874.794 486149.2531 1165735.099 374610.5704 965570.2003 213505.8506 2362206.498 378984.2863 835308.3938 0 1563381.284 169013.566 1358842.337 875252.1732 1729000.412 448867.2883 1085179.931 681918.9925 1428584.503 339277.6463 1540992.542 506716.6804 883544.5169 442172.5567 1741901.662 565038.2085 1779149.256 40048.96787 910535.9116 0 910096.416 0 2036231.505 658062.1995 946223.5976 605536.3993 970072.6382 0 1113362.506 101202.2048 910842.7254 260196.6853 2660866.2 205802.8209 3206918.118 524157.3163 501102.5038 653026.7365 2763247.178 465519.0637 3110458.711 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate1 0 0 0 0 0 0 0 3.117512249 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate2 0 0 0 0 0 0 0 25045.97957 0 1142912.831 0 335362.4679 0 0 0 0 0 0 0 169672.079 0 12617.39229 0 13298.02366 0 0 0 0 0 0 0 0 0 0 0 0 0 457943.7377 0 237016.2822 0 283093.8022 0 0 0 0 0 0 0 13223.85785 0 27843.97978 0 47581.0369 0 0 0 0 0 0 0 0 0 0 0 0 0 394702.6326 0 668171.0976 0 1952953.368 0 0 0 0 0 0 0 77792.24296 0 40195.8598 0 64428.21749 0 0 0 0 0 0 0 0 0 0 0 144783.7973 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_N-Acetylvaline_159.0893_2.433_ExRate0 0 5624773.852 12688144.92 8166508.27 0 5380255.608 115.1782778 57.71469622 3504540.899 9486874.106 155.9969989 5526725.494 0 7278128.529 84.25485405 0 48.6682937 2503340.597 108.7812614 8270936.739 5345990.989 3314534.551 2057998.937 3715166.537 261.1323871 2740449.3 4913489.567 7419451.17 149.6769696 4832934.376 6532060.204 4883916.495 0 5043314.658 0 4814389.269 52.41973266 4657082.745 4494978.657 3155402.622 6368336.144 2165128.849 4572898.649 3609308.787 131.0257285 3773572.268 0 3075549.629 6798573.557 5998550.543 6477962.361 3190542.569 0 4763303.22 0 0 0 12414588.64 6733187.311 8795015.929 110.4383215 6585483.01 0 0 0 11525223.68 6455169.078 5791263.736 4608797.071 5424394.712 2114351.391 10692413.23 0 2797120.68 6121804.431 0 0 2905094.725 104.9635857 4745126.927 6790020.141 9076698.173 283.6798061 9757820.505 9722090.675 10528309.72 0 6447492.9 8395887.947 4363378.474 6810879.974 8027723.831 6758335.924 4010917.535 6755192.669 4582728.005 0 11.12181902 0 4575109.135 48.24831227 23720604.55 0 10224143.02 0 4009897.376 2117050.94 4716322.249 45.80552072 13819545.03 Neg_N-Acetylvaline_159.0893_2.433_ExRate1 0 0 0 19025.41434 0 0 345111.8935 172932.1577 0 0 467418.1685 0 0 0 252455.1745 0 145826.1689 354704.1364 325944.3344 0 0 0 131912.8369 187388.6575 782438.2711 78969.76275 0 0 448481.2881 0 0 152083.3911 0 0 0 0 157066.7103 0 224637.3773 52935.70925 0 175980.1769 0 56786.44232 392596.053 0 0 184428.5606 241975.9754 0 0 76563.54512 0 0 0 0 0 0 41286.38053 0 330909.43 102712.6379 0 0 0 0 112078.6425 0 0 0 91286.72012 0 0 63672.27719 0 0 0 231558.0593 314505.3259 139740.2216 0 0 849997.7331 123496.0931 0 0 0 235611.2876 0 259278.5603 0 0 0 0 0 34156.32608 0 33324.61723 0 181654.694 144567.7668 0 0 0 0 0 77392.25069 189489.6627 137248.3622 195210.5759 Neg_N-Acetylvaline_159.0893_2.433_ExRate2 0 0 0 0 0 0 0 0 0 901641.863 0 236596.1025 0 0 0 0 0 0 0 36919.87015 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394059.5814 0 166402.1267 0 230781.7828 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 394455.4244 0 576720.409 0 2041398.664 0 0 0 0 0 0 0 0 0 0 0 6376.944996 0 0 0 0 0 0 0 0 0 0 0 160168.0719 0 0 0 0 0 0 0 13721.82831 0 0 0 0 0 0 Neg_Ornithine_132.0896_9.477_ExRate0 0 103005865.1 0 102497841.2 0 169883658.3 0 86756398.04 0 157692972 0 93620228.26 624521.7135 69884698.24 0 78930770.03 0 85669479.93 667453.2772 140690002.5 0 60637029.26 0 48695154.9 275719.8322 74417313.18 30725554.59 112281431.1 69700.01049 137169545.2 468527.3508 83442541.27 676071.9214 128859194.1 521413.4228 59873264.31 648934.5632 73520485.43 869262.5002 28231796.36 833107.4832 39507080.52 1026439.382 53976251.27 159278.0938 53083382.72 350465.2044 65652593.29 616371.1911 25227201.16 0 48777729.98 491018.4519 38179799.17 0 36563138.23 0 100923382.3 0 152185439 0 86490578 0 47974830.41 0 267136365.2 0 73003177.65 0 132442300.2 92058.56004 158550101.3 19968989.91 91427445.74 359894.7314 53281692.02 432136.3956 56600758.32 0 128192121.5 83504.74012 83450166.71 0 113120873.1 384999.8966 154138268.5 123797.9469 49440900.91 156345.967 66087088.14 0 127288624.8 0 143882400.6 0 151470827.1 0 93996294.02 0 176747208.4 0 335230613.7 0 135561010.6 0 198407112.5 0 109073467 0 288019184.6 Neg_Ornithine_132.0896_9.477_ExRate1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1299990.592 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 88046.62961 0 544477.9039 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 237402.7133 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Ornithine_132.0896_9.477_ExRate2 0 0 0 0 0 0 0 0 0 0 0 0 0 20324.21906 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 38923.98466 0 0 0 0 0 0 0 0 0 0 0 0 0 63988.16232 0 0 0 0 0 0 0 0 0 58606.16273 0 0 0 0 0 0 0 27088.64651 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Orotic acid_156.0169_7.419_ExRate0 0 0 0 0 0 0 0 0 0 103278.696 0 0 0 31399.0044 0 47175.89108 0 76601.26183 0 208052.4913 0 23195.02356 0 0 0 69537.88871 0 220825.8014 0 277836.3308 0 29198.3631 0 0 0 0 0 97862.16157 0 0 0 37731.33939 0 154573.5495 0 110422.4724 0 186491.5172 0 46271.17162 0 148480.2671 0 89754.34888 0 143536.1279 0 1236586.997 0 1585075.055 0 0 0 0 0 86813.12798 0 0 0 90428.30734 0 266170.6443 0 96388.07732 0 43008.97714 0 162974.7271 0 146517.0036 0 108432.2279 0 145854.0565 0 494200.2117 0 47305.51973 0 257264.0368 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Orotic acid_156.0169_7.419_ExRate1 0 0 0 0 0 0 0 0 0 0 0 3.408095039 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.479245372 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.850192492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Orotic acid_156.0169_7.419_ExRate2 0 0 0 0 0 0 0 0 0 164491.9336 0 67802.38708 0 0 0 0 0 0 0 222381.0568 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 131575.9041 0 49323.37639 0 79647.41525 0 0 0 0 0 0 0 0 0 62721.56969 0 60002.92274 0 0 0 0 0 0 0 0 0 0 0 0 0 76597.70008 0 237348.413 0 907446.3621 0 0 0 0 0 0 0 211968.4955 0 99968.2105 0 125621.3101 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Pimelic acid_160.0734_1.786_ExRate0 878430.6113 835813.6521 768499.5509 733733.3313 711534.7842 1145932.973 739193.9577 554053.2613 701396.6062 586438.0975 610747.057 643271.4781 661012.0569 264077.6664 636345.9739 444338.8296 601603.1033 579326.5835 845380.7285 485395.9457 2015142.328 700616.1018 776741.062 514406.6227 763181.0324 1097099.131 947651.0543 1066176.251 615535.9568 854427.6088 1074325.898 798330.7639 1413887.038 968980.7406 641995.5663 603312.5718 607527.4404 406505.2426 1111296.112 682802.8938 920062.3756 674122.9029 676292.6588 336961.9447 664628.8195 689961.0095 646589.8639 595772.7176 936832.3363 513777.172 891398.0857 388442.8163 894308.547 489903.6718 758807.7749 825029.5959 672206.1926 774874.6642 713335.1531 782204.8456 688807.8066 714097.2181 934825.0222 795899.0621 867317.3098 960336.0944 619895.1592 614750.5868 540586.9797 834378.7357 578543.7334 897242.6985 623103.322 511456.8041 619917.5516 486356.0197 648411.3725 248855.6684 783069.4137 453577.5073 708207.9582 335223.0918 496303.8777 466492.5008 676822.2462 828727.4092 703870.492 695137.5037 982292.433 698373.9836 740325.5708 865052.3306 741495.5369 457989.6247 774597.3154 695912.4172 419424.4179 499730.7656 847637.9055 702155.3665 672278.6968 971781.2308 686257.8256 697550.3752 861478.8403 733530.9556 824573.4162 641076.899 707804.2741 1000629.747 Neg_Suberic acid_174.089_1.606_ExRate0 784045.5231 933306.7256 359393.5951 966200.101 785067.6345 1616506.73 550808.4675 450229.9626 616593.346 752962.9901 725202.53 492173.0475 453049.1054 664501.8932 1248953.978 508805.8567 689195.9184 536248.6187 1448221.971 804481.6686 3447097.218 1112673.562 1052194.74 748530.3398 524668.0036 1523948.801 1227698.88 670115.7322 752609.1472 707266.1893 1237441.161 1705772.299 1087432.924 1264492.445 883387.8653 1170599.771 697192.8879 1314138.604 859965.807 1108014.171 661615.7391 1164019.019 982339.4195 1123243.368 858884.0647 770688.243 1047070.636 671223.8624 1317958.032 613510.1491 971661.0348 343019.6001 779120.6022 561096.8288 1196039.84 592024.2276 903700.095 1283596.102 804091.9403 1076578.016 850532.7574 962833.5276 1152577.672 1267701.248 1319208.287 1684445.73 783089.3557 756252.1122 448252.9678 1491006.303 354828.9806 1252820.323 719985.3096 1041144.944 712213.9624 598760.5838 676686.6481 1017763.411 643664.5892 912207.1852 832993.1243 713631.6706 1015363.94 567778.5035 476114.4376 1283164.557 925927.3324 1031690.003 1400557.593 1118787.276 1254512.429 1532053.106 906089.9588 1482544.777 1314688.313 1160774.941 1090236.379 909769.6013 1185794.147 884508.2527 756727.3601 664826.843 791479.9167 952853.6064 921098.3759 1264459.833 961361.2837 923335.824 1159900.109 1327223.188 Neg_Thymidine_242.0901_2.694_ExRate0 19647.52083 1549289.768 0 1425408.036 69863.62033 1354618.514 0 0 0 392241.2201 0 245137.7368 391704.8748 1536098.539 228626.2563 1525371.462 239102.4891 1172991.005 0 670468.4528 0 652893.1417 0 509069.7174 12261.36629 821747.3763 238826.9158 2914713.047 8992.971399 1983646.663 207390.5762 1741166.107 155477.6372 1615191.192 77190.07079 783519.1973 0 352413.8955 0 415974.0125 0 445631.0643 153549.3624 1645183.322 129429.5729 2288222.222 90872.54527 2266578.653 25221.31756 990961.7856 15207.46594 1059407.402 0 1263980.717 88458.37264 2460697.63 26776.11099 5969359.578 17798.62369 6534642.629 0 330976.4661 37045.97128 244070.2158 0 1064103.884 0 0 0 0 0 108650.5522 0 330169.0441 0 234852.4467 0 515553.5157 0 60085.5172 0 52157.09963 0 49891.41746 0 675320.9883 0 321431.7447 0 834870.8086 0 0 0 0 0 0 0 0 0 0 0 94229.14478 0 0 0 0 0 0 0 0 Neg_Thymidine_242.0901_2.694_ExRate1 0 0 0 0 0 0 0.171643936 0 0 49779.42764 59.95269732 38686.14428 0 0 0 0 0 0 0 76892.30766 15.82249837 93353.08094 0 75053.64752 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12.53963503 0 11.3173439 33265.55795 0 0 0 0 0 0 0 18114.3006 0 34971.65772 0 37798.7666 0 0 0 0 0 0 0 0 0 0 0 0 0 81.04323109 0 123.0358411 0 0 0 0 0 0 0 15252.76652 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Thymidine_242.0901_2.694_ExRate2 0 0 0 0 0 0 136113.6984 0 0 1194851.013 75796.85451 758520.4767 0 0 0 0 0 0 0 978592.808 20004.03086 849769.2667 0 649470.2945 0 0 0 0 0 0 0 0 0 0 0 0 0 739110.5094 15853.58015 710840.9361 14308.26481 854211.6802 0 0 0 0 0 0 16826.73674 826128.9469 28033.17718 914875.5139 0 1043876.577 0 0 0 0 0 0 0 0 0 0 0 0 0 102461.1447 0 155551.4625 0 608410.4728 0 0 0 0 0 0 0 190659.0859 0 134352.7107 0 164004.9998 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Thymidine_242.0901_2.694_ExRate3 0 0 0 0 0 0 7144.087285 0 0 245570.0838 0 162715.969 0 0 0 0 0 0 0 155783.3858 0 107064.657 0 105871.3428 0 0 0 0 0 0 0 0 0 0 0 0 4.000817394 65150.01576 0 71901.73527 0 76417.06369 0 0 0 0 0 0 0 6867.148988 0 39293.62185 0 38415.95033 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 68489.2522 0 0 0 0 0 0 0 0 0 0 0 3.395197192 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Thymidine_242.0901_2.694_ExRate4 0 0 0 0 0 0 53768.87002 0 0 706364.4244 27091.0283 517871.9661 0 0 0 0 0 0 0 319265.5873 0 279985.1989 0 206854.631 0 0 0 0 0 0 0 0 0 0 0 0 11285.81355 461165.8716 0 412481.9199 0 504519.16 0 0 0 0 0 0 0 192779.0056 0 300215.0964 0 351462.109 0 0 0 0 0 0 0 0 0 0 0 0 0 48662.34606 0 152821.334 0 446226.4005 0 0 0 0 0 0 0 45534.09449 0 0 0 9577.43348 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Thymidine_242.0901_2.694_ExRate5 0 0 0 0 0 0 0 0 0 137249.7377 0 132720.8153 0 0 0 0 0 0 0 0 0 9336.90649 0 13426.82919 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28952.30718 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Thymidine_242.0901_2.694_ExRate6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 48146.15754 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate0 0 482968.6416 0 512955.7421 0 205086.3305 0 0 0 0 0 0 124436.5397 856530.1317 0 1432869.848 0 1074430.682 0 0.00793872 0 90095.76221 0 71426.22287 0 1351754.025 228972.8936 1182534.661 0 1071014.767 0 588850.4386 0 299477.9839 0 462466.0061 0 0 0 0 0 0 0 1765104.696 434290.6733 2458050.332 0 2132379.247 0 264933.4313 0 233532.6267 0 233718.2249 0 2302006.222 0 545049.5799 220067.7892 841405.4884 0 76091.54394 0 138272.4668 0 198783.1996 0 0 0 0 0 0 177441.0593 1622142.557 172280.9998 1443931.815 262586.2956 2120876.982 0 14972.24331 0 16751.39351 0 0 0 966714.8798 0 1367437.333 0 1297022.899 0 0 0 0 0 0 0 0 0 0 0 85409.05203 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.788038297 0 29046.09606 0 14280.48197 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33949.60654 0 16763.39907 0 30486.88894 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 229.5180604 0 0 0 0 0 0.000616432 0 0 0 0 0 0 0 18.47679303 0 53.43156631 0 34.25269097 0 0 0 76.39538492 0 0 0 64.10510412 0 68.58906395 0 44.52317973 0 50.65554218 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate10 0 0 0 0 0 0 32510.45951 71847.73118 0 243912.2446 0 185900.1818 0 0 0 0 0 0 0 0 0 29110.40456 0 26485.15497 0 0 0 0 0 0 0 0 0 0 0 0 105849.0862 128225.8503 91475.47815 215096.407 100083.5435 255490.5449 0 0 0 0 0 0 54945.68668 0 41880.82176 0 42989.17859 0 0 0 0 0 0 0 0 0 0 0 0 0 65234.7024 374561.2279 46516.52436 182568.5352 59152.60659 124632.1425 0 0 0 0 0 0 0 19200.10007 0 62559.41817 0 35493.69777 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate11 0 0 0 0 0 0 0 8710.937811 0 25660.48269 0 32027.30428 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6940.881027 14905.43538 12969.26745 25008.67874 4581.311209 32644.04575 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2699.527715 28728.88859 0 23213.30112 3036.496009 4660.069768 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate12 0 0 0 0 0 0 0 11350.06726 0 46778.66363 0 24961.13832 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32552.1272 10156.52411 34465.7202 34139.91629 35162.94986 35640.07147 0 0 0 0 0 0 12283.83143 0 0 0 6863.172703 0 0 0 0 0 0 0 0 0 0 0 0 0 22304.64534 95049.09905 14090.55693 48646.1753 17786.89002 33634.13687 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2444.229202 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate2 0 0 0 0 0 0 0 0 0 30456.37405 0 0 0 0 0 0 0 0 0 34835.8555 0 360580.3946 0 270997.8889 0 0 0 0 0 0 0 0 0 0 0 0 0 63930.99063 0 62936.64415 0 85179.3686 0 4395.364602 0 0 0 0 0 619029.2695 0 507038.6333 14.06195517 469241.7145 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 48.59947281 0 0 0 0 0 0 0 0 0 109982.7226 0 114239.2167 0 83446.03076 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate4 0 0 0 0 0 0 15.64165734 65083.14251 0 154628.8367 0 80639.53528 0 0 0 0 0 0 0 60654.61237 0 515114.3424 0 392731.4954 0 0 0 0 0 0 0 0 0 0 0 0 0 185549.2742 0 244330.9636 0 307388.3774 0 0 0 0 0 0 37535.80804 615406.6217 57755.91419 438707.5325 11499.20065 323254.8802 0 0 0 0 0 0 0 0 0 0 0 0 16.48982909 76105.10773 0 17192.38351 11.55939729 23160.47963 0 0 0 0 0 0 0 214396.1938 11.99769287 279415.6477 0 174689.7488 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate5 0 0 0 0 0 0 0 23295.51762 0 55169.33662 0 39619.49399 0 0 0 0 0 0 0 15578.63989 0 118281.1013 0 109742.8777 0 0 0 0 0 0 0 0 0 0 0 0 0 62939.59561 0 71368.58916 0 95374.85854 0 0 0 0 0 0 11496.12775 38294.32442 6659.712303 43613.47674 0 43890.76862 0 0 0 0 0 0 0 0 0 0 0 0 0 25736.64701 0 0 0 6379.423754 0 0 0 0 0 0 0 38987.94013 0 50494.60007 0 26444.53612 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate6 0 0 0 0 0 0 19804.76074 138194.8125 0 320638.647 0 226513.7494 0 0 0 0 0 0 0 47198.73428 0 358780.9014 0 310733.3401 0 0 0 0 0 0 0 0 0 0 0 0 42917.9608 349483.9243 52140.0745 435062.4701 41425.62949 648781.9378 0 0 0 0 0 0 108125.1892 235137.4575 100630.9343 185531.4162 60053.24589 109363.3562 0 0 0 0 0 0 0 0 0 0 0 0 20920.72127 308018.3303 27.20090281 121150.4797 13529.94546 105478.0389 0 0 0 0 0 0 0 213702.4228 14832.98223 350267.1485 0 205164.243 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate7 0 0 0 0 0 0 0 40320.97739 0 106415.9372 0 72343.63409 0 0 0 0 0 0 0 0 0 77146.02605 0 78111.06068 0 0 0 0 0 0 0 0 0 0 0 0 11296.52637 79770.45497 17177.47582 123402.9339 15739.29465 131046.9252 0 0 0 0 0 0 15861.62115 21130.0507 17832.05101 17020.17394 4945.256526 12784.09994 0 0 0 0 0 0 0 0 0 0 0 0 0 52844.99165 0 33526.92158 0 26989.8025 0 0 0 0 0 0 0 24867.32371 0 40141.93531 0 18762.61675 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate8 0 0 0 0 0 0 48830.15097 147079.0719 0 416769.3631 0 312499.9701 0 0 0 0 0 0 0 13371.73714 0 145078.4875 0 138410.1641 0 0 0 0 0 0 0 0 0 0 0 0 92821.15563 319649.1983 116096.4674 474984.5292 111378.519 590322.741 0 0 0 0 0 0 124430.2018 70205.04194 94663.59199 46449.82223 78817.57695 20554.68545 0 0 0 0 0 0 0 0 0 0 0 0 51679.19139 534130.7021 48980.57412 247131.3402 55318.40786 217899.4946 0 0 0 0 0 0 0 115253.5999 22386.80391 214674.4664 0 135654.8303 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate9 0 0 0 0 0 0 0 38816.62896 0 105930.9426 0 79660.49939 0 0 0 0 0 0 0 0 0 14299.92451 0 20157.53831 0 0 0 0 0 0 0 0 0 0 0 0 17920.15643 53381.90758 19502.80142 89722.96997 11206.13362 106926.0618 0 0 0 0 0 0 17678.37324 0 8908.552677 0 6918.930986 0 0 0 0 0 0 0 0 0 0 0 0 0 0 69588.81909 0 44141.87047 5914.473139 32030.60462 0 0 0 0 0 0 0 8480.851037 0 9305.906083 0 4193.001469 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_Uracil_112.0271_2.425_ExRate0 3615602.944 231012797.7 0 218435699.2 6610281.494 260035604.5 5184240.857 53684272.6 1718401.924 385766641.5 4886248.417 266730862.3 10218065.2 155042755.9 6401814.941 194072290 12028521.85 196014166.2 4025013.193 632993426.7 7474725.434 161207188.8 4407393.132 125103589.3 2032187.114 171856693.9 40290140.66 269895881.7 3429941.916 322409319.1 6629400.431 186765325.7 4843059.599 257074319.1 3481475.601 139190424.2 3912243.355 263017764.5 6165463.426 155693668.6 5758416.296 163997401.3 15136048.17 178736185.3 14618508.06 197946932.6 15141901.59 236179415.6 7499470.004 138173763.6 14744495.7 182078980.1 7476549.583 185653315.2 2720527.254 150640164 6029772.548 359908936.8 9091812.134 617006152.5 7707671.335 261737108.7 10315681.03 102217461.4 4868327.058 547301887 6132125.632 188961031.5 4232487.28 386964076.8 2083065.571 713121724.4 16594385.12 200693027.7 13872430.99 129957707.9 20248262.73 152256324.4 3291690.177 347687918.3 5367144.153 221244698.1 10973423.47 328771069.6 6096951.485 470821106.9 3324376.325 134396964.9 3373729.481 200084455.8 2546526.661 271101167.8 11532508.69 368417736 5813695.299 673175292.4 4251191.748 166411863.1 6386272.602 553558056.3 5098442.998 729146344.3 9862523.199 487952806 4528461.088 508746677.2 13471457.13 344213141.8 11055746.19 518964715.3 Neg_Uracil_112.0271_2.425_ExRate2 0 120698.4311 0 115636.1704 0 120485.507 0 0 0 230802.197 0 169078.723 0 68805.94866 0 44376.23096 0 52946.73005 0 438887.9062 0 103071.9007 0 0 0 64189.20084 0 118952.1677 0 137059.95 0 93412.83877 0 132277.3519 0 83969.08859 0 177579.6597 0 129493.0976 0 105950.3923 0 92114.38201 0 101161.9491 0 130610.0578 0 84595.91633 0 76399.74044 0 110488.5061 0 86173.02819 0 207928.7035 0 334699.7732 0 123923.532 0 49815.54807 0 268298.7426 0 109073.5034 0 267260.3561 0 493101.0724 0 112350.9909 0 60246.45784 0 61735.34431 0 168057.0551 0 113926.6118 0 240829.1889 0 235355.2058 0 61524.41098 0 83089.08273 0 122385.3726 0 202780.9103 0 400124.4344 0 41057.36605 0 297324.1295 0 393813.9 0 225532.0367 0 329327.9221 0 131588.6514 0 304791.1627 Neg_[N-Acetylglutamic acid_[M-H]-_RFMMMVDNIPUKGG-YFKPBYRVSA-N]_189.0634_7.765_ExRate0 0 414112.4262 0 358265.6226 59921.4538 404686.7083 0 0 0 0 0 0 260886.382 982441.8395 303207.4886 2377476.259 481092.1362 2714165.322 0 0 0 0 0 0 91261.42301 1279710.053 508889.2363 1289059.667 70453.15053 2692562.971 101452.1484 398461.4641 62229.12926 163874.4959 57728.64777 134308.0417 0 0 0 0 0 0 283015.8164 1602243.388 410037.084 1102231.854 0 0 0 0 0 0 0 0 168524.4163 987916.3737 216347.6235 1613150.304 202890.262 1842841.761 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Neg_[Pantothenic acid_[M-H]-_GHOKWGTUZJEAQD-ZETCQYMHSA-N]_219.1104_3.495_ExRate0 0 1705220.845 0 2156430.288 0 1226828.06 0 0 0 0 0 0 425950.5133 1136890.258 503273.7691 1710221.667 229440.0812 928955.2928 0 0 0 0 0 0 236791.4716 452527.8384 1724993.209 1227073.115 66045.48024 920356.6304 43097.15528 1227857.838 0 639491.5738 0 363355.8157 0 0 0 0 0 0 326509.3248 210370.8696 309995.8854 191218.9602 0 0 0 0 0 0 0 0 278185.3616 48330.14644 151922.4128 210797.0831 175199.7028 231596.3963 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 metabolite_name CompID Tags.y Formula NumLabeledC Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate0 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854 2;4 C6 H12 O3 0 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate1 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854 2;4 C6 H12 O3 1 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate2 Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854 2;4 C6 H12 O3 2 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate0 Neg_3-Phenyllactic acid_166.0628_2.249 2 C9 H10 O3 0 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate2 Neg_3-Phenyllactic acid_166.0628_2.249 2 C9 H10 O3 2 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate3 Neg_3-Phenyllactic acid_166.0628_2.249 2 C9 H10 O3 3 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate4 Neg_3-Phenyllactic acid_166.0628_2.249 2 C9 H10 O3 4 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate5 Neg_3-Phenyllactic acid_166.0628_2.249 2 C9 H10 O3 5 Neg_3-Phenyllactic acid_166.0628_2.249_ExRate6 Neg_3-Phenyllactic acid_166.0628_2.249 2 C9 H10 O3 6 Neg_5-Aminovaleric acid_117.0787_7.79_ExRate0 Neg_5-Aminovaleric acid_117.0787_7.79 2 C5 H11 N O2 0 Neg_5-Aminovaleric acid_117.0787_7.79_ExRate1 Neg_5-Aminovaleric acid_117.0787_7.79 2 C5 H11 N O2 1 Neg_5-Aminovaleric acid_117.0787_7.79_ExRate2 Neg_5-Aminovaleric acid_117.0787_7.79 2 C5 H11 N O2 2 Neg_Azelaic acid_188.1046_1.448_ExRate0 Neg_Azelaic acid_188.1046_1.448 2 C9 H16 O4 0 Neg_Azelaic acid_188.1046_1.448_ExRate1 Neg_Azelaic acid_188.1046_1.448 2 C9 H16 O4 1 Neg_Citraconic acid_130.0265_1.682_ExRate0 Neg_Citraconic acid_130.0265_1.682 2 C5 H6 O4 0 Neg_Citraconic acid_130.0265_1.682_ExRate2 Neg_Citraconic acid_130.0265_1.682 2 C5 H6 O4 2 Neg_Citraconic acid_130.0265_1.682_ExRate3 Neg_Citraconic acid_130.0265_1.682 2 C5 H6 O4 3 Neg_Citraconic acid_130.0265_1.682_ExRate4 Neg_Citraconic acid_130.0265_1.682 2 C5 H6 O4 4 Neg_Citraconic acid_130.0265_1.682_ExRate5 Neg_Citraconic acid_130.0265_1.682 2 C5 H6 O4 5 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate0 Neg_D-Glucose 6-phosphate_260.0294_9.541 4;Labeled C6 H13 O9 P 0 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate1 Neg_D-Glucose 6-phosphate_260.0294_9.541 4;Labeled C6 H13 O9 P 1 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate2 Neg_D-Glucose 6-phosphate_260.0294_9.541 4;Labeled C6 H13 O9 P 2 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate3 Neg_D-Glucose 6-phosphate_260.0294_9.541 4;Labeled C6 H13 O9 P 3 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate4 Neg_D-Glucose 6-phosphate_260.0294_9.541 4;Labeled C6 H13 O9 P 4 Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate5 Neg_D-Glucose 6-phosphate_260.0294_9.541 4;Labeled C6 H13 O9 P 5 Neg_DL-Tryptophan_204.0896_6.867_ExRate0 Neg_DL-Tryptophan_204.0896_6.867 1 C11 H12 N2 O2 0 Neg_DL-Tryptophan_204.0896_6.867_ExRate1 Neg_DL-Tryptophan_204.0896_6.867 1 C11 H12 N2 O2 1 Neg_DL-Tryptophan_204.0896_6.867_ExRate2 Neg_DL-Tryptophan_204.0896_6.867 1 C11 H12 N2 O2 2 Neg_Dodecyl sulfate_266.1549_1.118_ExRate0 Neg_Dodecyl sulfate_266.1549_1.118 3 C12 H26 O4 S 0 Neg_Dodecyl sulfate_266.1549_1.118_ExRate1 Neg_Dodecyl sulfate_266.1549_1.118 3 C12 H26 O4 S 1 Neg_Dodecyl sulfate_266.1549_1.118_ExRate2 Neg_Dodecyl sulfate_266.1549_1.118 3 C12 H26 O4 S 2 Neg_Fumaric acid_116.0107_1.713_ExRate0 Neg_Fumaric acid_116.0107_1.713 2 C4 H4 O4 0 Neg_Fumaric acid_116.0107_1.713_ExRate1 Neg_Fumaric acid_116.0107_1.713 2 C4 H4 O4 1 Neg_Glutaric acid_132.0421_2.865_ExRate0 Neg_Glutaric acid_132.0421_2.865 2 C5 H8 O4 0 Neg_Guanine_151.0492_6.5_ExRate0 Neg_Guanine_151.0492_6.5 2 C5 H5 N5 O 0 Neg_Isoleucine_131.0943_7.219_ExRate0 Neg_Isoleucine_131.0943_7.219 2 C6 H13 N O2 0 Neg_Isoleucine_131.0943_7.219_ExRate1 Neg_Isoleucine_131.0943_7.219 2 C6 H13 N O2 1 Neg_Isoleucine_131.0943_7.219_ExRate2 Neg_Isoleucine_131.0943_7.219 2 C6 H13 N O2 2 Neg_Isophthalic acid_166.0264_1.78_ExRate0 Neg_Isophthalic acid_166.0264_1.78 2;4;Labeled C8 H6 O4 0 Neg_Isophthalic acid_166.0264_1.78_ExRate1 Neg_Isophthalic acid_166.0264_1.78 2;4;Labeled C8 H6 O4 1 Neg_Isophthalic acid_166.0264_1.78_ExRate2 Neg_Isophthalic acid_166.0264_1.78 2;4;Labeled C8 H6 O4 2 Neg_Isophthalic acid_166.0264_1.78_ExRate8 Neg_Isophthalic acid_166.0264_1.78 2;4;Labeled C8 H6 O4 8 Neg_L-Cystine_240.0236_9.945_ExRate0 Neg_L-Cystine_240.0236_9.945 1 C6 H12 N2 O4 S2 0 Neg_L-Cystine_240.0236_9.945_ExRate1 Neg_L-Cystine_240.0236_9.945 1 C6 H12 N2 O4 S2 1 Neg_L-Histidine_155.0692_9.495_ExRate0 Neg_L-Histidine_155.0692_9.495 1 C6 H9 N3 O2 0 Neg_L-Histidine_155.0692_9.495_ExRate1 Neg_L-Histidine_155.0692_9.495 1 C6 H9 N3 O2 1 Neg_L-Histidine_155.0692_9.495_ExRate2 Neg_L-Histidine_155.0692_9.495 1 C6 H9 N3 O2 2 Neg_L-Phenylalanine_165.0787_6.898_ExRate0 Neg_L-Phenylalanine_165.0787_6.898 1 C9 H11 N O2 0 Neg_L-Phenylalanine_165.0787_6.898_ExRate1 Neg_L-Phenylalanine_165.0787_6.898 1 C9 H11 N O2 1 Neg_L-Phenylalanine_165.0787_6.898_ExRate2 Neg_L-Phenylalanine_165.0787_6.898 1 C9 H11 N O2 2 Neg_L-Tyrosine_181.0737_7.698_ExRate0 Neg_L-Tyrosine_181.0737_7.698 2 C9 H11 N O3 0 Neg_L-Tyrosine_181.0737_7.698_ExRate1 Neg_L-Tyrosine_181.0737_7.698 2 C9 H11 N O3 1 Neg_Leucine_131.0943_7.039_ExRate0 Neg_Leucine_131.0943_7.039 2 C6 H13 N O2 0 Neg_Leucine_131.0943_7.039_ExRate2 Neg_Leucine_131.0943_7.039 2 C6 H13 N O2 2 Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate0 Neg_N-Acetyl-L-methionine_191.0614_3.162 2;Labeled C7 H13 N O3 S 0 Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate1 Neg_N-Acetyl-L-methionine_191.0614_3.162 2;Labeled C7 H13 N O3 S 1 Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate2 Neg_N-Acetyl-L-methionine_191.0614_3.162 2;Labeled C7 H13 N O3 S 2 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate0 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095 2;Labeled C8 H15 N O3 0 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate1 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095 2;Labeled C8 H15 N O3 1 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate2 Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095 2;Labeled C8 H15 N O3 2 Neg_N-Acetylvaline_159.0893_2.433_ExRate0 Neg_N-Acetylvaline_159.0893_2.433 3;Labeled C7 H13 N O3 0 Neg_N-Acetylvaline_159.0893_2.433_ExRate1 Neg_N-Acetylvaline_159.0893_2.433 3;Labeled C7 H13 N O3 1 Neg_N-Acetylvaline_159.0893_2.433_ExRate2 Neg_N-Acetylvaline_159.0893_2.433 3;Labeled C7 H13 N O3 2 Neg_Ornithine_132.0896_9.477_ExRate0 Neg_Ornithine_132.0896_9.477 1 C5 H12 N2 O2 0 Neg_Ornithine_132.0896_9.477_ExRate1 Neg_Ornithine_132.0896_9.477 1 C5 H12 N2 O2 1 Neg_Ornithine_132.0896_9.477_ExRate2 Neg_Ornithine_132.0896_9.477 1 C5 H12 N2 O2 2 Neg_Orotic acid_156.0169_7.419_ExRate0 Neg_Orotic acid_156.0169_7.419 2;Labeled C5 H4 N2 O4 0 Neg_Orotic acid_156.0169_7.419_ExRate1 Neg_Orotic acid_156.0169_7.419 2;Labeled C5 H4 N2 O4 1 Neg_Orotic acid_156.0169_7.419_ExRate2 Neg_Orotic acid_156.0169_7.419 2;Labeled C5 H4 N2 O4 2 Neg_Pimelic acid_160.0734_1.786_ExRate0 Neg_Pimelic acid_160.0734_1.786 2 C7 H12 O4 0 Neg_Suberic acid_174.089_1.606_ExRate0 Neg_Suberic acid_174.089_1.606 2 C8 H14 O4 0 Neg_Thymidine_242.0901_2.694_ExRate0 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 0 Neg_Thymidine_242.0901_2.694_ExRate1 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 1 Neg_Thymidine_242.0901_2.694_ExRate2 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 2 Neg_Thymidine_242.0901_2.694_ExRate3 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 3 Neg_Thymidine_242.0901_2.694_ExRate4 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 4 Neg_Thymidine_242.0901_2.694_ExRate5 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 5 Neg_Thymidine_242.0901_2.694_ExRate6 Neg_Thymidine_242.0901_2.694 2;Labeled C10 H14 N2 O5 6 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate0 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 0 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate1 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 1 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate10 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 10 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate11 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 11 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate12 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 12 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate13 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 13 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate2 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 2 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate4 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 4 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate5 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 5 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate6 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 6 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate7 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 7 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate8 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 8 Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate9 Neg_UDP-N-acetylglucosamine_607.0818_9.94 2;Labeled C17 H27 N3 O17 P2 9 Neg_Uracil_112.0271_2.425_ExRate0 Neg_Uracil_112.0271_2.425 2 C4 H4 N2 O2 0 Neg_Uracil_112.0271_2.425_ExRate2 Neg_Uracil_112.0271_2.425 2 C4 H4 N2 O2 2 Neg_[N-Acetylglutamic acid_[M-H]-_RFMMMVDNIPUKGG-YFKPBYRVSA-N]_189.0634_7.765_ExRate0 Neg_[N-Acetylglutamic acid_[M-H]-_RFMMMVDNIPUKGG-YFKPBYRVSA-N]_189.0634_7.765 1 0 Neg_[Pantothenic acid_[M-H]-_GHOKWGTUZJEAQD-ZETCQYMHSA-N]_219.1104_3.495_ExRate0 Neg_[Pantothenic acid_[M-H]-_GHOKWGTUZJEAQD-ZETCQYMHSA-N]_219.1104_3.495 2 0