Molecule list name Molecule Name Formula Label type Adduct Retention Time Acetyl-CoA Acetyl-CoA C23H38N7O17P3S light [M-H] 3.6 Acetyl-CoA Acetyl-CoA C23H38N7O17P3S light [M+Na-2H] 3.6 Acetyl-CoA Acetyl-CoA C23H38N7O17P3S heavy [M2C13-H] 3.6 Acetyl-CoA Acetyl-CoA C23H38N7O17P3S heavy [M2C13+Na-2H] 3.6 Glucose Glucose C6H12O6 light [M-H] 1.11 Glucose Glucose C6H12O6 heavy [M6C13-H] 1.11 Citric acid Citric acid C6H8O7 light [M-H] 1.17 Citric acid Citric acid C6H8O7 light [M1C13-H] 1.17 Citric acid Citric acid C6H8O7 light [M2C13-H] 1.17 Citric acid Citric acid C6H8O7 light [M3C13-H] 1.17 Citric acid Citric acid C6H8O7 light [M4C13-H] 1.17 Citric acid Citric acid C6H8O7 light [M5C13-H] 1.17 Citric acid Citric acid C6H8O7 light [M6C13-H] 1.17 Dihydroxyacetone Dihydroxyacetone C3H6O3 light [M-H2O-H] 1.13 Dihydroxyacetone Dihydroxyacetone C3H6O3 heavy [M3C13-H2O-H] 1.13 Ribose 5-phosphate Ribose 5-phosphate C5H11O8P light [M-H] 0.96 Ribose 5-phosphate Ribose 5-phosphate C5H11O8P heavy [M5C13-H] 0.96 Fructose 1,6-bisphosphate Fructose 1,6-bisphosphate C6H14O12P2 light [M-H] 0.94 Fructose 1,6-bisphosphate Fructose 1,6-bisphosphate C6H14O12P2 heavy [M6C13-H] 0.94 Fructose 6-phosphate Fructose 6-phosphate C6H13O9P light [M-H] 0.94 Fructose 6-phosphate Fructose 6-phosphate C6H13O9P heavy [M6C13-H] 0.94 Fructose 6-phosphate Fructose 6-phosphate C6H13O9P light [M-H2O-H] 0.94 Fructose 6-phosphate Fructose 6-phosphate C6H13O9P heavy [M6C13-H2O-H] 0.94 Malic acid Malic acid C4H6O5 light [M-H] 1.13 Malic acid Malic acid C4H6O5 light [M1C13-H] 1.13 Malic acid Malic acid C4H6O5 light [M2C13-H] 1.13 Malic acid Malic acid C4H6O5 light [M3C13-H] 1.13 Malic acid Malic acid C4H6O5 light [M4C13-H] 1.13 Malic acid Malic acid C4H6O5 light [M-H2O-H] 1.13 Malic acid Malic acid C4H6O5 light [M1C13-H2O-H] 1.13 Malic acid Malic acid C4H6O5 light [M2C13-H2O-H] 1.13 Malic acid Malic acid C4H6O5 light [M3C13-H2O-H] 1.13 Malic acid Malic acid C4H6O5 light [M4C13-H2O-H] 1.13 Oxaloacetate Oxaloacetate C4H4O5 light [M-H] 1.17 Oxaloacetate Oxaloacetate C3C'1H4O5 light [M1C13-H] 1.17 Oxaloacetate Oxaloacetate C2C'2H4O5 light [M2C13-H] 1.17 Oxaloacetate Oxaloacetate C1C'3H4O5 light [M3C13-H] 1.17 Oxaloacetate Oxaloacetate C'4H4O5 light [M4C13-H] 1.17 Phosphoenolpyruvic acid Phosphoenolpyruvic acid C3H5O6P light [M-H2O-H] 1.01 Phosphoenolpyruvic acid Phosphoenolpyruvic acid C3H5O6P heavy [M3C13-H2O-H] 1.01 Phosphoenolpyruvic acid Phosphoenolpyruvic acid C3H5O6P light [M-H] 1.01 Phosphoenolpyruvic acid Phosphoenolpyruvic acid C3H5O6P heavy [M3C13-H] 1.01 Pyruvic acid Pyruvic acid C3H4O3 light [M-H] 1.17 Pyruvic acid Pyruvic acid C3H4O3 heavy [M3C13-H] 1.17 Phosphoglyceric acid Phosphoglyceric acid C3H7O7P light [M-H] 0.98 Phosphoglyceric acid Phosphoglyceric acid C3H7O7P heavy [M3C13-H] 0.98 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M-H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M1C13-H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M2C13-H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M3C13-H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M4C13-H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M5C13-H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M+Na-2H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M1C13+Na-2H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M2C13+Na-2H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M3C13+Na-2H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M4C13+Na-2H] 1.23 Oxoglutaric acid Oxoglutaric acid C5H6O5 light [M5C13+Na-2H] 1.23 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M-H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M1C13-H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M2C13-H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M3C13-H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M4C13-H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M+Na-2H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M1C13+Na-2H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M2C13+Na-2H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M3C13+Na-2H] 3.64 Succinyl-CoA Succinyl-CoA C25H40N7O19P3S light [M4C13+Na-2H] 3.64 Alanine Alanine C3H7NO2 light [M-H] 0.96 Alanine Alanine C3H7NO2 heavy [M3C13-H] 0.96 Succinic acid Succinic acid C4H6O4 light [M-H] 1.57 Succinic acid Succinic acid C4H6O5 light [M1C13-H] 1.57 Succinic acid Succinic acid C4H6O6 light [M2C13-H] 1.57 Succinic acid Succinic acid C4H6O7 light [M3C13-H] 1.57 Succinic acid Succinic acid C4H6O8 light [M4C13-H] 1.57 Succinic acid Succinic acid C4H6O9 light [M+Na-2H] 1.57 Succinic acid Succinic acid C4H6O10 light [M1C13+Na-2H] 1.57 Succinic acid Succinic acid C4H6O11 light [M2C13+Na-2H] 1.57 Succinic acid Succinic acid C4H6O12 light [M3C13+Na-2H] 1.57 Succinic acid Succinic acid C4H6O13 light [M4C13+Na-2H] 1.57 sn-Glycerol 3-phosphate sn-Glycerol 3-phosphate C3H9O6P light [M-H] 0.98 sn-Glycerol 3-phosphate sn-Glycerol 3-phosphate C3H9O6P heavy [M3C13-H] 0.98 Isocitric acid Isocitric acid C6H8O7 light [M-H2O-H] 1.13 Isocitric acid Isocitric acid C6H8O7 light [M1C13-H2O-H] 1.13 Isocitric acid Isocitric acid C6H8O7 light [M2C13-H2O-H] 1.13 Isocitric acid Isocitric acid C6H8O7 light [M3C13-H2O-H] 1.13 Isocitric acid Isocitric acid C6H8O7 light [M4C13-H2O-H] 1.13 Isocitric acid Isocitric acid C6H8O7 light [M5C13-H2O-H] 1.13 Isocitric acid Isocitric acid C6H8O7 light [M6C13-H2O-H] 1.13