Chemical & Pharmaceutical Structure Analysis
Where Technology and Solutions Meet

CPSA 2011

Science and Technology Coming Together to Make a Difference

October 3 - 6, 2011
Bucks County Sheraton Hotel
Langhorne, PA


Session Synopsis

Tuesday, 3:00 pm - 4:30 pm

Metabolite Identification Session

Discussion Leaders:
Joanna Pols, Merck
Ragu Ramanathan, Bristol-Myers Squibb

Metabolite ID session will focus on reviewing how recent advancements in high resolution mass spectrometry have changed the way drug metabolite identification is being conducted in pharmaceutical research and development process. The availability of accurate mass LC-MS and MS/MS data has greatly enhanced the detection and structural elucidation of metabolites. Techniques such as real-time mass defect filtering or accurate mass neutral loss scanning allow now for a more efficient data acquisition in a single analytical run. Post-acquisition software tools such as Mass-MetaSite, Metabolynx, MetabolitePilot can be used with high confidence to facilitate structural assignments of metabolites. Examples how those novel data acquisition techniques and software tools can be applied for practical metabolite ID processes, as well as advantages and disadvantages of using targeted and non-targeted analyses for metabolite stability screening, will be discussed.

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