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Fast PK and Semi Quantitative Analysis of Metabolites Using High Resolution MS

Fast PK quantitative studies are traditionally performed using a technique known as selected
reaction monitoring (SRM) on a triple quadrupole mass spectrometer. In the SRM mode, the ions
specific to the NCE are focused onto the detection system, while all other non-specific ions are filtered away. As a result, only the NCE is quantified and its PK estimates determined, but any metabolite information contained in the sample is lost. With the understanding of this limitation of the SRM technique is the acknowledgement that potentially efficacious NCEs may be prematurely eliminated due to poor PK characteristics, when in fact more complete feedback from the same Fast PK study could provide the support for the decision to make a simple tweak of the chemical structure to improve bioavailability. This is where Orbitrap technology (OT) has the potential to revolutionize Lead Optimization, by providing metabolite information during the Fast PK analysis.