Molecule list name	Molecule Name	Formula	Label type	Adduct	Retention Time
Acetyl-CoA	Acetyl-CoA(M+0)	C23H38N7O17P3S	light	[M-H]	3.60
Acetyl-CoA	Acetyl-CoA(M+0)	C23H38N7O17P3S	light	[M+Na-2H]	3.60
Acetyl-CoA	Acetyl-CoA(M+2)	C23H38N7O17P3S	heavy	[M2C13-H]	3.60
Acetyl-CoA	Acetyl-CoA(M+2)	C23H38N7O17P3S	heavy	[M2C13+Na-2H]	3.60
Glucose	Glucose(M+0)	C6H12O6	light	[M-H]	1.11
Glucose	Glucose(M+6)	C6H12O6	heavy	[M6C13-H]	1.11
Citric acid	Citric acid(M+0)	C6H8O7	light	[M-H]	1.17
Citric acid	Citric acid(M+1)	C6H8O7	heavy	[M1C13-H]	1.17
Citric acid	Citric acid(M+2)	C6H8O7	heavy	[M2C13-H]	1.17
Citric acid	Citric acid(M+3)	C6H8O7	heavy	[M3C13-H]	1.17
Citric acid	Citric acid(M+4)	C6H8O7	heavy	[M4C13-H]	1.17
Citric acid	Citric acid(M+5)	C6H8O7	heavy	[M5C13-H]	1.17
Citric acid	Citric acid(M+6)	C6H8O7	heavy	[M6C13-H]	1.17
Dihydroxyacetone	Dihydroxyacetone(M+0)	C3H6O3	light	[M-H2O-H]	1.13
Dihydroxyacetone	Dihydroxyacetone(M+3)	C3H6O3	heavy	[M3C13-H2O-H]	1.13
Ribose 5-phosphate	Ribose 5-phosphate(M+0)	C5H11O8P	light	[M-H]	0.96
Ribose 5-phosphate	Ribose 5-phosphate(M+5)	C5H11O8P	heavy	[M5C13-H]	0.96
Fructose 1,6-bisphosphate	Fructose 1,6-bisphosphate(M+0)	C6H14O12P2	light	[M-H]	0.94
Fructose 1,6-bisphosphate	Fructose 1,6-bisphosphate(M+6)	C6H14O12P2	heavy	[M6C13-H]	0.94
Fructose 6-phosphate	Fructose 6-phosphate(M+0)	C6H13O9P	light	[M-H]	0.94
Fructose 6-phosphate	Fructose 6-phosphate(M+6)	C6H13O9P	heavy	[M6C13-H]	0.94
Fructose 6-phosphate	Fructose 6-phosphate(M+0)	C6H13O9P	light	[M-H2O-H]	0.94
Fructose 6-phosphate	Fructose 6-phosphate(M+6)	C6H13O9P	heavy	[M6C13-H2O-H]	0.94
Malic acid	Malic acid(M+0)	C4H6O5	light	[M-H]	1.13
Malic acid	Malic acid(M+1)	C4H6O5	heavy	[M1C13-H]	1.13
Malic acid	Malic acid(M+2)	C4H6O5	heavy	[M2C13-H]	1.13
Malic acid	Malic acid(M+3)	C4H6O5	heavy	[M3C13-H]	1.13
Malic acid	Malic acid(M+4)	C4H6O5	heavy	[M4C13-H]	1.13
Malic acid	Malic acid(M+0)	C4H6O5	light	[M-H2O-H]	1.13
Malic acid	Malic acid(M+1)	C4H6O5	heavy	[M1C13-H2O-H]	1.13
Malic acid	Malic acid(M+2)	C4H6O5	heavy	[M2C13-H2O-H]	1.13
Malic acid	Malic acid(M+3)	C4H6O5	heavy	[M3C13-H2O-H]	1.13
Malic acid	Malic acid(M+4)	C4H6O5	heavy	[M4C13-H2O-H]	1.13
Oxaloacetate	Oxaloacetate(M+0)	C4H4O5	light	[M-H]	1.17
Oxaloacetate	Oxaloacetate(M+1)	C3C'1H4O5	heavy	[M1C13-H]	1.17
Oxaloacetate	Oxaloacetate(M+2)	C2C'2H4O5	heavy	[M2C13-H]	1.17
Oxaloacetate	Oxaloacetate(M+3)	C1C'3H4O5	heavy	[M3C13-H]	1.17
Oxaloacetate	Oxaloacetate(M+4)	C'4H4O5	heavy	[M4C13-H]	1.17
Phosphoenolpyruvic acid	Phosphoenolpyruvic acid(M+0)	C3H5O6P	light	[M-H2O-H]	1.01
Phosphoenolpyruvic acid	Phosphoenolpyruvic acid(M+3)	C3H5O6P	heavy	[M3C13-H2O-H]	1.01
Phosphoenolpyruvic acid	Phosphoenolpyruvic acid(M+0)	C3H5O6P	light	[M-H]	1.01
Phosphoenolpyruvic acid	Phosphoenolpyruvic acid(M+3)	C3H5O6P	heavy	[M3C13-H]	1.01
Pyruvic acid	Pyruvic acid (M+0)	C3H4O3	light	[M-H]	1.17
Pyruvic acid	Pyruvic acid (M+3)	C3H4O3	heavy	[M3C13-H]	1.17
Phosphoglyceric acid	Phosphoglyceric acid (M+0)	C3H7O7P	light	[M-H]	0.98
Phosphoglyceric acid	Phosphoglyceric acid(M+3)	C3H7O7P	heavy	[M3C13-H]	0.98
Oxoglutaric acid	Oxoglutaric acid(M+0)	C5H6O5	light	[M-H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+1)	C5H6O5	heavy	[M1C13-H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+2)	C5H6O5	heavy	[M2C13-H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+3)	C5H6O5	heavy	[M3C13-H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+4)	C5H6O5	heavy	[M4C13-H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+5)	C5H6O5	heavy	[M5C13-H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+0)	C5H6O5	light	[M+Na-2H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+1)	C5H6O5	heavy	[M1C13+Na-2H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+2)	C5H6O5	heavy	[M2C13+Na-2H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+3)	C5H6O5	heavy	[M3C13+Na-2H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+4)	C5H6O5	heavy	[M4C13+Na-2H]	1.23
Oxoglutaric acid	Oxoglutaric acid(M+5)	C5H6O5	heavy	[M5C13+Na-2H]	1.23
Succinyl-CoA	Succinyl-CoA(M+0)	C25H40N7O19P3S	light	[M-H]	3.64
Succinyl-CoA	Succinyl-CoA(M+1)	C25H40N7O19P3S	heavy	[M1C13-H]	3.64
Succinyl-CoA	Succinyl-CoA(M+2)	C25H40N7O19P3S	heavy	[M2C13-H]	3.64
Succinyl-CoA	Succinyl-CoA(M+3)	C25H40N7O19P3S	heavy	[M3C13-H]	3.64
Succinyl-CoA	Succinyl-CoA(M+4)	C25H40N7O19P3S	heavy	[M4C13-H]	3.64
Succinyl-CoA	Succinyl-CoA(M+0)	C25H40N7O19P3S	light	[M+Na-2H]	3.64
Succinyl-CoA	Succinyl-CoA(M+1)	C25H40N7O19P3S	heavy	[M1C13+Na-2H]	3.64
Succinyl-CoA	Succinyl-CoA(M+2)	C25H40N7O19P3S	heavy	[M2C13+Na-2H]	3.64
Succinyl-CoA	Succinyl-CoA(M+3)	C25H40N7O19P3S	heavy	[M3C13+Na-2H]	3.64
Succinyl-CoA	Succinyl-CoA(M+4)	C25H40N7O19P3S	heavy	[M4C13+Na-2H]	3.64
Alanine	Alanine(M+0)	C3H7NO2	light	[M-H]	0.96
Alanine	Alanine(M+3)	C3H7NO2	heavy	[M3C13-H]	0.96
Succinic acid	Succinic acid(M+0)	C4H6O4	light	[M-H]	1.57
Succinic acid	Succinic acid(M+1)	C4H6O5	heavy	[M1C13-H]	1.57
Succinic acid	Succinic acid(M+2)	C4H6O6	heavy	[M2C13-H]	1.57
Succinic acid	Succinic acid(M+3)	C4H6O7	heavy	[M3C13-H]	1.57
Succinic acid	Succinic acid(M+4)	C4H6O8	heavy	[M4C13-H]	1.57
Succinic acid	Succinic acid(M+0)	C4H6O9	light	[M+Na-2H]	1.57
Succinic acid	Succinic acid(M+1)	C4H6O10	heavy	[M1C13+Na-2H]	1.57
Succinic acid	Succinic acid(M+2)	C4H6O11	heavy	[M2C13+Na-2H]	1.57
Succinic acid	Succinic acid(M+3)	C4H6O12	heavy	[M3C13+Na-2H]	1.57
Succinic acid	Succinic acid(M+4)	C4H6O13	heavy	[M4C13+Na-2H]	1.57
sn-Glycerol 3-phosphate	sn-Glycerol 3-phosphate(M+0)	C3H9O6P	light	[M-H]	0.98
sn-Glycerol 3-phosphate	sn-Glycerol 3-phosphate(M+3)	C3H9O6P	heavy	[M3C13-H]	0.98
Isocitric acid	Isocitric acid(M+0)	C6H8O7	light	[M-H2O-H]	1.13
Isocitric acid	Isocitric acid(M+1)	C6H8O7	heavy	[M1C13-H2O-H]	1.13
Isocitric acid	Isocitric acid(M+2)	C6H8O7	heavy	[M2C13-H2O-H]	1.13
Isocitric acid	Isocitric acid(M+3)	C6H8O7	heavy	[M3C13-H2O-H]	1.13
Isocitric acid	Isocitric acid(M+4)	C6H8O7	heavy	[M4C13-H2O-H]	1.13
Isocitric acid	Isocitric acid(M+5)	C6H8O7	heavy	[M5C13-H2O-H]	1.13
Isocitric acid	Isocitric acid(M+6)	C6H8O7	heavy	[M6C13-H2O-H]	1.13