TABLE 2

Characteristics of major metabolites identified using accurate mass measurement following incubation of dronedarone with rCYP3A4 and rCYP3A5

Description	Assignment	Retention Time	Measured MH⁺ (m/z)	Theoretical MH⁺ (m/z)	Proposed Formula	Product Ions (m/z)
				minutes
Parent drug	M0	6.11	557.3036	557.3049	C₃₁H₄₅N₂O₅S⁺	100, 142, 294, 435
N-desbutylation	M1	4.75	501.2437	501.2423	C₂₇H₃₇N₂O₅S⁺	114, 121, 336, 379
N-desbutylation + oxidation	M2-1	2.03	517.2367	517.2372	C₂₇H₃₇N₂O₆S⁺	114, 121, 395, 438
	M2-2	2.14	517.2380	517.2372	C₂₇H₃₇N₂O₆S⁺	114, 121, 344, 386
	M2-3	2.49	517.2397	517.2372	C₂₇H₃₇N₂O₆S⁺	114, 121, 386, 459
	M2-4	2.87	517.2385	517.2372	C₂₇H₃₇N₂O₆S⁺	114, 121, 344, 386
	M2-5	3.87	517.2391	517.2372	C₂₇H₃₇N₂O₆S⁺	114, 130, 395, 414
Oxidation	M3-1	3.48	573.2984	573.2998	C₃₁H₄₅N₂O₆S⁺	100, 142, 170, 451
	M3-2	3.90	573.2996	573.2998	C₃₁H₄₅N₂O₆S⁺	100, 142, 515, 555
	M3-3	4.25	573.2996	573.2998	C₃₁H₄₅N₂O₆S⁺	100, 142, 451, 555
	M3-4	4.86	573.2901	573.2998	C₃₁H₄₅N₂O₆S⁺	114, 170, 501
	M3-5	5.04	573.3005	573.2998	C₃₁H₄₅N₂O₆S⁺	100, 142, 308, 449
	M3-6	5.27	573.3051	573.2998	C₃₁H₄₅N₂O₆S⁺	100, 142, 451, 493
	M3-7	5.40	573.2938	573.2998	C₃₁H₄₅N₂O₆S⁺	100, 142, 501, 555
Dioxidation	M4	2.47	589.2966	589.2948	C₃₁H₄₅N₂O₇S⁺	100, 170, 467, 545