Advances in MS-based approaches for drug and metabolism studies

Data for samples from the in vivo metabolism of diclofenac was acquired using a novel acquisition mode on a quadrupole-time of flight hybrid mass spectrometer, This mode allowed the discovery and identification of precursor ions of drug-related molecules, based upon the detection of accurately measured, pre-defined fragment ions and neutral losses. Real time data-dependent decisions were used to generate product ion spectra for glucuronide and sulfate conjugates of diclofenac eluting from an on-line LC separation.