Final ProgramCPSA 2011
Science and Technology Coming Together to Make a Difference
October 3 - 6, 2011
Bucks County Sheraton Hotel
Langhorne, PA
Poster Abstract #23
Identification of a complicated metabolite for a GSK drug candidate using the structure identification tool box
GlaxoSmithKline, King of Prussia, PA
Metabolite identification is an important and sometime challenging part of the drug development process.The use of accurate mass high resolution mass spectrometry and other tools in the structure identification tool box is very useful for the more challenging metabolites. Several of the tools in our structure ID tool box were used to identify a complex structure of a metabolite for a GSK drug candidate. . Generally full scan accurate mass and data-dependent MSn from Orbitrap would provide enough data for identifying most of metabolites. A significant amount unknown metabolite M of a GSK drug candidate was observed in dog samples (urine and feces) from a mass balance study. The sample was very dilute due to the very low dose. A preparative LC separation provided concentrated samples to infuse. Nano mate infusion gave us the opportunity to acquire both positive a negative mode data. CID/HCD in both modes provided different and useful information. We also obtained useful data by changing the collision energy and isolation width to narrow down the location of the conjugation.
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