This webinar explores how productivity and accuracy in drug metabolism studies can be improved by employing the latest advancement in Orbitrap technology in pharmaceutical science and related industries.

The characterization of xenobiotic metabolites is an integral part of the discovery and development of new pharmaceutical compounds and agricultural chemicals. High resolution accurate mass based LC-MS technology has become the leading technology for metabolite profiling and identification by offering high specificity and accuracy. The invention of Orbitrap mass analyzer revolutionized high resolution mass spectrometry by offering ultra-high resolution (100,000 ) in a very easy, robust manner (<3ppm mass accuracy without the need for constant or frequent recalibration). The newly introduced Thermo Scientific Q Exactive quadrupole-orbitrap LC-MS/MS mass spectrometer delivers high-speed, enhanced sensitivity, and multiplexing capabilities in a benchtop footprint.

In this webinar, two scientists will present novel metabolism workflows and applications of the Q Exactive™ LC-MS/MS for qualitative and quantitative measurements. First, integrated quantitative and qualitative analysis for parent compounds and their metabolites from in vitro and in vivo samples will be discussed using uHPLC/full scan method with minimal instrument set up. Sample pooling was made possible by utilizing the ultra-high resolution at 70,000 in the full scan. A UV/MS response factor can be used to allow accurate metabolite quantitation without the need for authentic standards. The second part of the discussion will focus on the identification of a variety of trace level metabolites in whole plant, plant cell culture, and soil for the development of new agricultural chemicals. Fast and comprehensive screening for these trace level metabolites was achieved by employing scan-to-scan polarity switching. The combination of ultra-high resolution at 140,000 and high sensitivity allowed the observation of fine isotopic patterns in full scan MS and MS/MS which was crucial for the verification of the metabolite identity.

Who Should Attend:

  • Pharmaceutical scientists who are looking to implement more sensitive and higher throughput high resolution accurate mass based workflows in metabolite identification.
  • Pharmaceutical scientists involved in employing LC-MS/MS based solutions for DMPK studies
  • Agricultural chemists performing trace level metabolite profiling in both early stage discovery and regulatory phases.
  • Life Sciences researchers who are interested in metabolite profiling studies.

Key Learning Objectives:

  • High resolution accurate mass (HRAM) based simultaneous Quan/Qual workflows for metabolic stability screening
  • High throughput HRAM based cassette analysis
  • Learn about LC-MS/MS techniques used in trace level xenobiotic metabolite identification in whole plant, plant cell culture, and soil metabolism for agricultural chemicals