The rapid and robust identification of agrochemical and pharmaceutical metabolites in complex matrices resulting from animal, plant and e-fate studies is an ongoing challenge in new product development. The application of high resolution LC-MS and LC-MS/MS remains the primary tool in industry for this purpose. Whilst developments in instrument sensitivity, resolution and dynamic range are welcome, this does not negate the importance of a good quality sample, especially with the associated cost of state of the art LC-MS instrumentation and the time pressures which exist in regulatory development. This presentation will highlight some of the useful techniques the analytical chemist should have in their tool box to deploy for the clean-up of awkward samples and some creative chromatographic and spectrometric solutions which can rapidly accelerate identification of metabolite structures. ‘Wet chemistry’ techniques including the use of solid phase extraction, compound derivatisation, chemical extraction and approaches to bound residues shall be discussed. From an instrument standpoint, the benefits of two dimensional approaches to sample chromatography shall be discussed, employing orthogonal mixed mode and size exclusion column chemistries. Lastly, the use of travelling wave ion mobility mass spectrometry and product ion maps will be presented which permit the user to mine additional information from a single injection of precious sample.

Innovative approaches to sample clean-up, chromatography and mass spectrometry for metabolite identification in support of agrochemical and pharmaceutical development

254th National Meeting (2017)

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