metabolite_name 32ppt-1C_A 32ppt-1C_B 32ppt-1C_C 32ppt4C_A 32ppt4C_B 32ppt4C_C 40ppt-1C_A 40ppt-1C_B 40ppt-1C_C 40ppt4C_A 40ppt4C_B 40ppt4C_C MediaBlk_ppt32 MediaBlk_ppt40 Aconitic Acid 1263.206737 1330.517054 1525.375954 6681.110849 6474.158825 7927.185629 1285.25808 1886.373239 1340.099472 6133.619801 5163.460974 5108.241692 171982 102632 ADP 9076.560436 9174.027576 11458.33273 4501.291465 4005.127701 4133.589548 4626.076494 6930.001467 5849.626673 5410.374699 3959.60534 5280.800604 49500 50730 AMP 15647.28057 16508.23288 14784.1824 6556.047023 6786.442885 8962.662085 12663.98877 12547.87362 12096.30462 8473.951746 6278.09343 6152.730136 11689.61315 255.4252162 Citric Acid 116700.8454 123484.5138 139497.4936 154071.1227 148818.3145 143974.7066 119619.2978 194108.885 181242.8835 340577.2705 290672.6761 289004.6647 388193 744760 Cysteic Acid 4832.253334 5722.604683 5176.295614 3434.963754 2329.601737 4298.379048 2741.272711 2677.123191 2465.475131 3088.840194 2576.392243 2437.280264 436.0600303 1619.88348 FAD 1372.308454 1233.70283 1456.834363 566.7382836 803.3564264 841.7397931 1283.29342 1116.075411 1060.185435 1178.358542 1062.009977 728.9833837 317 0 Fructose 6 phosphate 6760.885073 7952.982583 7254.249909 2899.308228 2683.409161 2946.42896 4891.946059 6252.388498 5757.187769 3762.67274 3612.46919 3597.596677 0 0 Fumaric Acid 1078.475536 632.071887 847.6615919 906.3160467 948.2091 987.6933845 851.0465223 927.3983303 807.0077496 1857.750615 1506.929334 1296.148327 113586.0898 156504.3041 Glucose 6 phosphate 8133.395109 4908.892141 5793.203649 2361.567735 2176.584979 4102.695545 5969.648812 6183.643549 4116.603769 4754.723912 2342.236406 2763.546669 0 0 GMP 2245.35876 2210.082222 1544.809839 858.6941814 672.7208023 985.4606528 1041.076709 1474.490744 1469.892004 627.7900636 646.1536894 424.2393101 1490.50495 16920.06661 Isethionic Acid 3225.331263 3120.565878 3840.465668 3230.43936 2960.779245 2694.32524 2716.719258 2730.978169 2719.035329 3968.483945 3189.704633 2981.343938 633432.7492 460560.6315 Ketoglutaric Acid 10055.25594 10586.15747 9995.005449 14457.25062 14892.48785 14009.07676 7615.503371 9935.720364 9117.740391 55469.0581 41094.74765 47114.54079 686309 381871 Malic Acid 25885.36328 26438.83164 29470.3814 17033.77169 14204.50832 15734.63364 14921.43688 19709.84008 19368.04495 33894.13544 26757.87265 30998.79154 5452386 5576339 NAD 4485.297226 4202.666909 5144.976389 2080.30693 1988.523421 2314.366903 2902.137875 3383.302523 2496.260592 2800.37298 2296.087148 2328.318731 303 0 NADP 2210.701783 2185.968795 2488.545223 941.7270688 406.774894 932.9014698 1382.099512 1985.909624 1089.180892 774.4173255 1161.135563 1094.889728 8315 412 PEP 217.5247688 477.6124819 169.3152924 1203.262897 823.7286734 420.6782798 766.0020925 624.320716 615.857792 868.0955655 623.254108 438.2628399 0 328 Sucrose 108.2527623 224.9555784 143.0574114 220.4839809 75.98541294 160.1613044 176.4782868 216.4963521 49.42474202 455.9872583 144.1909943 298.5633866 22352.58848 15075.92414 Sulfolactic acid 831.3973859 468.7565288 1088.827825 1078.611068 792.9825462 1397.23466 279.1883929 561.9641403 513.1318111 1645.035968 1542.51837 1363.746939 500880.5501 190826.2302 Taurine 3319.118666 4755.744292 3556.810071 11390.33656 10806.75736 11009.43603 3073.460343 4292.506067 3837.621743 13349.52972 10736.922 7878.686724 290.7021424 4544.629275 UDP-glucosamine 996.243395 961.9031205 1067.210316 479.1524023 536.2092855 506.9319543 553.7293653 1001.561033 723.9260715 1067.581643 721.0651408 650.9728097 275 0 UDP-glucose 11073.59974 10948.97859 7839.822012 887.8455908 3765.494778 2860.444203 6348.285282 7688.048709 6503.571165 2970.300791 3872.998826 2244.850453 0 0 Uridine 750.3352048 723.9096517 612.4772975 1165.083225 755.9342364 1288.476864 306.9065334 716.8559272 586.0628761 2071.6088 1193.588615 1136.723565 7967 1536 metabolite_name quantitated m/z KEGGNAME CHEBI MS_method KEGG ID Aconitic Acid 173.008615 cis-Aconitate; cis-Aconitic acid CHEBI:32805 HILIC_TQS_Neg C00417 ADP 426.021596 ADP; Adenosine 5'-diphosphate CHEBI:16761 HILIC_TQS_Neg C00008 AMP 346.055262 AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate CHEBI:16027 HILIC_TQS_Neg C00020 Citric Acid 191.01918 Citrate; Citric acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid CHEBI:30769 HILIC_TQS_Neg C00158 Cysteic Acid 167.996671 L-Cysteate; L-Cysteic acid; 3-Sulfoalanine; 2-Amino-3-sulfopropionic acid CHEBI:17285 HILIC_TQS_Neg C00506 FAD 784.149317 FAD; Flavin adenine dinucleotide CHEBI:16238 HILIC_TQS_Neg C00016 Fructose 6 phosphate 259.021897 D-Fructose 6-phosphate; D-Fructose 6-phosphoric acid; Neuberg ester CHEBI:15946 HILIC_TQS_Neg C00085 Fumaric Acid 115.003135 Fumarate; Fumaric acid; trans-Butenedioic acid CHEBI:18012 HILIC_TQS_Neg C00122 Glucose 6 phosphate 259.021897 D-Glucose 6-phosphate; Glucose 6-phosphate; Robison ester CHEBI:17665 HILIC_TQS_Neg C00092 GMP 362.050178 GMP; Guanosine 5'-phosphate; Guanosine monophosphate; Guanosine 5'-monophosphate; Guanylic acid CHEBI:17345 HILIC_TQS_Neg C00144 Isethionic Acid 124.990857 2-Hydroxyethanesulfonate; 2-Hydroxyethanesulfonic acid; 2-Hydroxyethane-1-sulfonic acid; Isethionic acid; Isethionate CHEBI:1157 HILIC_TQS_Neg C05123 Ketoglutaric Acid 145.0137 2-Oxoglutarate; Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid CHEBI:30915 HILIC_TQS_Neg C00026 Malic Acid 133.0137 (S)-Malate; L-Malate; L-Apple acid; L-Malic acid; L-2-Hydroxybutanedioic acid; Malate; Malic acid CHEBI:6650 HILIC_TQS_Neg C00149 NAD 662.101304 NAD+; NAD; Nicotinamide adenine dinucleotide; DPN; Diphosphopyridine nucleotide; Nadide; beta-NAD+ CHEBI:15846 HILIC_TQS_Neg C00003 NADP 742.067637 NADP+; NADP; Nicotinamide adenine dinucleotide phosphate; beta-Nicotinamide adenine dinucleotide phosphate; TPN; Triphosphopyridine nucleotide; beta-NADP+ CHEBI:18009 HILIC_TQS_Neg C00006 PEP 166.974553 Phosphoenolpyruvate; Phosphoenolpyruvic acid; PEP CHEBI:18021 HILIC_TQS_Neg C00074 Sucrose 341.10839 Sucrose; Cane sugar; Saccharose; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside CHEBI:17992 HILIC_TQS_Neg C00089 Sulfolactic acid 168.980687 3-Sulfolactate CHEBI:50519 HILIC_TQS_Neg C16069 Taurine 124.006841 Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid CHEBI:15891 HILIC_TQS_Neg C00245 UDP-glucosamine 606.073753 UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine CHEBI:16264 HILIC_TQS_Neg C00043 UDP-glucose 565.047204 UDP-glucose; UDPglucose; UDP-D-glucose; Uridine diphosphate glucose; UDP-alpha-D-glucose CHEBI:18066 HILIC_TQS_Neg C00029 Uridine 243.061713 Uridine CHEBI:16704 HILIC_TQS_Neg C00299