Retention time, molecular ions, and characteristic fragment ions of dasabuvir and metabolites in human plasma, urine, or feces

[M-H]Mass ErrorMetabolite IDCharacteristicFragment Ionsb
Dasabuvir492.1601492.15990.41Parent drug477c (−CH3), 462 (−2 CH3), 449 (−NCO), 435 (−C4H9), 414 (−SO2CH2), 399 (−SO2CH2 and −CH3)
M1508.1550508.15480.39P +O493c (−CH3), 476 (−CH3OH), 463 (−C2H5O), 435 (−C4H9O), 430 (−SO2CH2), 415 (−SO2CH2 and −CH3), 399 (−SO2CH2 and −CH3O)
M2588.1111588.1116−0.85M1 sulfate545 (−NCO), 509c (−CH3SO2), 494 (−CH3SO2 and −CH3), 466 (−NCO and −CH3SO2), 465 (−NCO and −SO3), 433 (−NCO and −CH4SO4)
M3684.1861684.1869−1.17M1 glucuronide641 (−NCO), 597 (−NCO and −CO2), 476c (−C7H12O7), 433 (−C7H12O7 and −NCO)
M4506.1381506.1391−1.98M1 −2H463c (−C2H3O), 435 (−C4H7O), 413 (−SO2CH2 and −CH3)
M5522.1337522.1340−0.57P +2O, −2H507 (−CH3), 478 (−CO2), 463c (−C2H3O2), 435 (−C4H7O2)
M6698.1657698.1661−0.57M5 glucuronide522 (−C6H8O6), 478c (−C6H8O6 and −CO2), 463(−C6H8O6, −CO2, and −CH3), 383 (−C6H8O6, −CO2, −CH3, −CH4SO2)
M7700.1801700.1818−2.43M6 +2H524c (−C6H8O6), 444 (−C6H8O6 and −CH4SO2)
M8a524.1487524.1497−1.91M5 +2H480 (−CO2), 465c (−C2H3O2), 437 (−C4H7O2), 401 (−CO2 and −CH3SO2), 387 (−CO2, −CH2SO2, and −CH3)
M9a510.1694510.1704−1.96M1 +2H495c (−CH3), 478 (−CH3OH), 465 (−C2H5O), 452, 437 (−C4H9O)
M10a590.1260590.1272−2.03M2 +2HN/A
M11494.1380494.1391−2.33M1 –CH2479c (−CH3), 464 (−2 CH3), 416 (−SO2CH2), 401 (−SO2CH2 and −CH3)
  • N/A, not available; P, parent drug.

  • a Observed only in fecal samples.

  • b Minus signs indicate loss.

  • c base fragment ion.