TABLE 5

Molecular ions and characteristic fragment ions of ombitasvir and metabolites in human plasma, urine, or feces

Compound	[M+H]⁺ (Measured)	[M+H]⁺ (Theoretical)	Chemical Formula	Δppm	Key Fragment Ions (m/z)
Ombitasvir	894.5113	894.5124	C₅₀H₆₈N₇O₈⁺	−1.2	737, 640, 588, 547, 431
M6	640.3856	640.3857	C₃₈H₅₀N₅O₄⁺	−0.2	547, 491, 473, 334, 255
M9	912.5224	912.5230	C₅₀H₇₀N₇O₉⁺	−0.7	894, 755, 640, 547, 491, 334
M3	910.5055	910.5073	C₅₀H₆₈N₇O₉⁺	−1.9	892, 737, 588, 431
M5	910.5056	910.5073	C₅₀H₆₈N₇O₉⁺	−1.9	Accurate mass only
M23	386.2587	386.2591	C₂₆H₃₂N₃⁺	−1.0	369, 293, 237, 144
M26	402.2538	402.2540	C₂₆H₃₂N₃O⁺	−0.5	370, 309, 237, 144
M34	388.2383	388.2383	C₂₅H₃₀N₃O⁺	0.0	371, 237, 144
M29	372.2068	372.2070	C₂₄H₂₆N₃O⁺	−0.5	355, 279, 237, 144
M25	418.2490	418.2489	C₂₆H₃₂N₃O₂⁺	0.2	237, 144
M28	416.2338	416.2333	C₂₆H₃₀N₃O₂⁺	1.2	237, 144
M36	388.2015	388.2020	C₂₄H₂₆N₃O₂⁺	−1.3	371, 295, 237, 144
M35	404.2330	404.2333	C₂₅H₃₀N₃O₂⁺	−0.7	237, 144
M37	390.2171	390.2176	C₂₄H₂₈N₃O₂⁺	−1.3	297, 237, 144
M7	273.1441	273.1445	C₁₂H₂₁N₂O₅⁺	−1.5	255, 227, 116