Metabolite_name RefMet_name posi-10 posi-12 posi-14 posi-18 posi-2 posi-20 posi-22 posi-24 posi-26 posi-28 posi-30 posi-32 posi-34 posi-36 posi-38 posi-4 posi-40 posi-42 posi-6 posi-8 posi-1 posi-11 posi-13 posi-15 posi-17 posi-19 posi-21 posi-23 posi-25 posi-27 posi-29 posi-3 posi-31 posi-33 posi-35 posi-37 posi-39 posi-41 posi-5 posi-7 posi-9 Factors - Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT 5-Methylcytosine 5-Methylcytosine 8153.8810 9424.7340 18249.9600 9121.6490 4586.3660 13235.4900 11604.2800 17130.7100 26377.4300 17433.6600 14960.6800 16108.7900 30498.6200 16639.0600 10182.2700 8143.1070 11591.8800 16314.5900 7109.1210 11532.2000 5040.1140 9822.3670 7335.3520 8755.5520 11635 12002.3900 8098.9530 11673.5500 9447.1570 6709.1190 16731.4500 6003.4920 12178.8100 21930.4800 6624.6290 19820.2600 22978.5900 21730.8900 6042.5960 6269.2520 5873.0740 citrulline Citrulline 938178.5000 961428.5000 1439163 668477.2000 1292190 2194587 885929.8000 1346811 792469.9000 834915.9000 669706.7000 803973.3000 787168.5000 1045119 728846.8000 730580 805645.8000 770347.2000 810504.1000 1051861 1083392 1899788 1148773 885784.8000 1171233 1013159 973679.2000 1121336 1374415 1052519 1018100 1237965 886256.8000 779695.2000 908956.6000 886148.3000 768555.7000 863387.7000 1671460 1163984 1520512 Cysteine-glutathione disulphide 58933.0900 25362.1000 119509.7000 42652.6800 31762.6800 34328.2700 41118.5800 79400.6000 61002.1100 58736.1400 54784.3000 81237.0700 83257.3500 103552.2000 84574.8200 46127.0100 94867.9000 72165.4400 60717.3800 29279.5500 41225.6900 93063.1500 81751.0900 43954.3600 55300.2900 58472 59264.5800 41347.8100 45939.3100 97912.3000 82523.4800 32857.2500 97804.1600 43971.7800 65795.5400 87100.3100 51633.6400 66784.1500 47434.2300 79055.8800 71612.3400 gamma-Butyrobetaine 3-Dehydroxycarnitine 479775.5000 903086 892151.9000 500689.4000 485797.8000 711343 463831.4000 655231.7000 555596.9000 643916.6000 477682.7000 643549 629657.3000 647113.3000 777510.7000 358097.8000 820547.5000 478470.5000 431078.7000 494167.4000 798795.6000 1122424 1030860 937495.8000 946321 990432.1000 574229.4000 1403318 1257854 1064066 1042355 722615.6000 1077668 1239034 1100372 458084.3000 432683.4000 485604.5000 617128.6000 757807.7000 958536.2000 Hyodeoxycholic acid Hyodeoxycholic acid 60403.7900 96049.6600 80197.4400 104283.1000 85991.7700 121843.7000 110085.8000 79638.0900 144825.2000 76761.6500 140359.5000 152731.3000 87726.5700 80212.6900 113371.3000 98264.9500 53478.5000 105167.8000 98461.7800 79464.3900 113609.9000 83962.0900 78352.4100 81173.0400 154844 266734.2000 118521.9000 100956.5000 125852 67308.1300 167684.5000 116743.1000 78312.2000 86617.8200 118986.7000 78922.7600 82747.5500 76235.5500 63643.7500 59221.1400 151088.9000 Imidazoleacetic acid Imidazoleacetic acid 50599.2900 47040.2100 49185.5600 44978.5000 30578.6600 54274.5000 43552.6400 46422.3900 53989.9300 54692.2700 54889.7600 64204.2400 67502.2100 61884.3800 55808.3800 30844.4500 50589.6600 43199.7300 40390.6700 50344.7200 33108.6400 39480.6300 58747.9000 56161.8900 48780.3100 60798.3200 42455.8900 47462.0300 49296.6300 50758.0500 56225.6800 34587.1200 56628.1100 49331.4200 54570.0700 58153.4800 49548.2200 59937.8800 47905.3900 48577.0800 40259.2500 N-Acetylcarnitine 85300000 108000000 102000000 92800000 89500000 67500000 75700000 85600000 73800000 98800000 97500000 89500000 104000000 68900000 95400000 85000000 74200000 92700000 86500000 87900000 96900000 113000000 120000000 119000000 142000000 78600000 93700000 89800000 127000000 88600000 91900000 90600000 112000000 72700000 75700000 93000000 N-acetyl-L-glutamine N-Acetylglutamine 8626.6980 9428.5050 14184.3500 9834.2810 3435.8140 12802.3400 6214.9940 11452.3800 8118.9380 5710.6130 9636.2820 14811.4500 11635.3500 15490.4400 12324.2300 10152.7500 8770.4270 10270.0900 13783.3500 24658.1800 1301.9510 12739.7300 6135.7170 8207.4330 5199.0720 4678.9220 10402.0600 810.7065 3038.4340 7541.1990 1906.2010 8506.7080 8251.4950 8108.9640 9926.6100 10753.7200 9158.2370 2752.6320 10235.0400 9842.7410 N^-Methylnicotinamide 108055.8000 36316.1900 95238.3400 66425.1500 107837.5000 100249.5000 82820.6600 154463.5000 85306.0600 83286.5700 76266.0300 91188.3100 42194.0900 49995.3900 59232.5000 91747.6000 54501.1400 51883.6400 64708.0800 121044.2000 66960.5700 76346.9100 97192.7900 75275.7000 68954.1600 81416.6200 68931.2700 115940.6000 90546.3100 96203.5700 87138.0500 95032.6200 63277.8000 21437.2400 83979.7900 107413.8000 63017.8800 114131.3000 149952.9000 101077.6000 43972.8100 ornithine Ornithine 39764.2400 20348.1000 38310.6700 26638.4200 45167.8000 96456.0500 16527.8700 35304.6900 20037.8700 34746.8200 22498.3900 41527.4500 21148.6600 19687 38849.6700 35450.7800 46202.0500 19777.7300 20552.2400 66421.1300 24164.2500 69352.6500 34027.6000 33741.5400 16364.6300 35474.2700 30904.6300 30690.1400 56353.5400 21438.1300 21636.5400 43165.8600 21582.2900 31490.3800 28304.6700 23599.2900 28059.3500 39067.0700 78674.5700 44319.0200 18681.4700 Pipecolate Pipecolic acid 91307.4500 77716.3900 135428.5000 87882.0400 47832.2100 85790.5600 69166.4200 81835.9100 95166.3700 92973.0600 94328.7900 57053.0800 97246.3000 94291.7800 133718 51748.8600 137013.3000 58456.6400 71745.6200 93780.3700 137075.2000 161372.1000 163609.2000 151394.5000 184770.6000 141811.2000 107748.6000 105476.6000 210613.7000 165688.7000 170568.3000 135203.7000 165190.8000 116675.5000 133109.6000 75818.0200 74624.5900 76614.3800 171454.4000 146641.1000 150650.5000 Pyridoxal Pyridoxal 24744.1100 27694.0900 24424.3900 18693.1600 20521.3800 35179.4700 16685.0400 34614.5500 22434.8100 28168.1800 22019.3600 30055.9100 27348.5900 30025.9800 23570.6600 18242.1700 26030.5600 25390.7200 26510.0800 24622.9700 20966.3700 19957.5400 23994.1500 16440.8800 22315.8500 26734.6300 25614.5200 18529.7500 22272.4300 18150.2000 31618.7900 26338.9700 22845.1500 22213.0100 23418.4600 27594.0100 21088.6200 23195.3800 21256.1800 13168.7700 21265.4800 threonine Threonine 37083.7800 21545.2400 46939.6800 36759.9800 33064.1600 84259.4000 23242.4100 33071.1400 36490.0100 30675.3300 37661.7500 35206.4900 29100.5000 26170.0500 33298.0400 36070.4100 53754.2400 17235.8500 29301.8800 32169.3400 52866.5700 51842.3000 61504.0900 50334.3900 59440.7800 55140.4100 60890.6700 39257.2800 72189.3000 57838.3500 46632.8000 65588.9000 55023.1800 63170.1700 40355.1600 32850.2100 34469.5600 28419.6100 79037.6000 58151.6700 48452.2300 thymine Thymine 185552.8000 192898.9000 151671.9000 245771.6000 229406.1000 228674.4000 260625.5000 250297.8000 404472.5000 191813.8000 255471 330992.6000 369836.4000 295128.9000 263295.8000 203645.8000 232563.4000 243133 232668.7000 286674.4000 237568.3000 188779.7000 212167.5000 220482.4000 178196.2000 291620.7000 189185.3000 222244.3000 125871.6000 211756 290212.2000 183159.1000 315820.1000 338171 215768.6000 291391.4000 291685.6000 281125.8000 179366.6000 158127.5000 203433.9000 Tryptamine Tryptamine 37681.1100 47666.5400 52387.3900 40523.9200 38186.7000 43027.6300 45954.3900 56993.6900 47543.5400 51863.2200 58386.8100 48334.4700 36240.8200 50126.3600 62366.5100 37381.5200 49473.8200 39478.3400 44587.0700 32515.0300 35382.3000 37588.0400 47897.3300 41760.3800 46747.9900 55250.0400 44852.2600 59988.0900 50574.6800 44937.2500 37954.4100 45573.0500 47660.2000 34151.8100 39039.2100 53925.8800 52065.5000 57320.1400 51173.9400 47148.8300 39998.1900 tryptophan Tryptophan 77133.6500 37263.9000 93719.6600 68457.7100 38275.1000 50293.0200 15425.8400 32372.9700 22959.6700 75583.2200 37061.8800 67435.2900 65935.0700 23604.0400 42792.2000 37159.1800 42516.5500 24421.4800 69386.4800 76646.9100 69079.4800 82795.4500 150185.6000 83512.3400 78118.5900 88134.6000 41102.4000 20261.1800 50867.2900 56191.1900 85756.6500 175615.5000 49982.1400 85332.3700 69119.2600 34403.9300 26789.8600 54664.6600 169426.1000 63820.1400 89224.3000