metabolite_name S00017646 S00017647 S00017648 D-2-hydroxyglutarate 10177.9815 3358.08205 2486.28377 L-2-hydroxyglutarate 182.37969 182.01126 454.50883 2-Phosphoglycerate/3-Phosphoglycerate 6.9806871 1.143851 4.5894202 6-phosphogluconic acid 37.638728 4.0799159 3.6714762 Acetyl-CoA 1.0653526 0.5927918 0.5995497 Adenosine diphosphate 33.130553 40.394093 41.9677 Adenosine monophosphate 153.44076 28.144997 44.537019 Adenosine triphosphate 11.329268 60.98457 67.54665 Citrate/iso-citrate 39.284676 7.8404032 3.760665 Fructose-6-Phosphate/glucose-6-phosphate 8.5134921 8.0508339 9.8884122 Flavin adenine dinucleotide 1.3357146 0.9016864 0.7557498 Fructose 1,6 Bisphosphate 40.714398 83.385701 182.38143 Malate 51.030168 16.612637 9.7442914 Nicotinamide adenine dinucleotide_1 0.6017222 0.076668 0.1132844 Nicotinamide adenine dinucleotide, reduced \N \N \N Nicotinamide adenine dinucleotide phosphate 0.9081965 0.80392 0.6518834 Nicotinamide adenine dinucleotide phosphate, reduced \N \N \N Phosphoenolpyruvate 0.8181748 0.5428246 1.0626774 D-ribulose-5-phosphate/D-xylulose-5-phosphate 41.767487 9.6581304 12.04663 Sedoheptulose-7P 128.23932 31.777984 31.560467 Succinate 50.19386 4.2907129 1.698174 Nicotinic acid \N \N \N Nicotinamide adenine dinucleotide_2 0.4297534 0.1688857 0.2019378 Nicotinamide 5.6608956 20.430295 9.5880366 Nicotinic acid mononucleotide 0.1541794 0.155716 0.1544609 Nicotinamide mononucleotide 0.1721849 0.1247026 0.1338116 Quinolinic acid 0.1506504 0.1303641 0.1301834 metabolite_name retention index quantified m/z PubChem ID KEGG ID D-2-hydroxyglutarate \N \N 439391 \N L-2-hydroxyglutarate \N \N 439939 \N 2-Phosphoglycerate/3-Phosphoglycerate \N \N 724 \N 6-phosphogluconic acid \N \N 91493 \N Acetyl-CoA \N \N 444493 \N Adenosine diphosphate \N \N 6022 \N Adenosine monophosphate \N \N 6083 \N Adenosine triphosphate \N \N 5957 \N Citrate/iso-citrate \N \N 311 \N Fructose-6-Phosphate/glucose-6-phosphate \N \N 5958 \N Flavin adenine dinucleotide \N \N 46906035 \N Fructose 1,6 Bisphosphate \N \N 21125049 \N Malate \N \N 525 \N Nicotinamide adenine dinucleotide_1 \N \N 15938971 \N Nicotinamide adenine dinucleotide, reduced \N \N 439153 \N Nicotinamide adenine dinucleotide phosphate \N \N 15938972 \N Nicotinamide adenine dinucleotide phosphate, reduced \N \N 22833512 \N Phosphoenolpyruvate \N \N 1005 \N D-ribulose-5-phosphate/D-xylulose-5-phosphate \N \N 77982 \N Sedoheptulose-7P \N \N 165007 \N Succinate \N \N 1110 \N Nicotinic acid \N \N 938 \N Nicotinamide adenine dinucleotide_2 \N \N 439153 \N Nicotinamide \N \N 936 \N Nicotinic acid mononucleotide \N \N 941 \N Nicotinamide mononucleotide \N \N 14180 \N Quinolinic acid \N \N 1066 \N