Optimization of instrument and data analysis parameters for improved metabolic profiling

Primary Researchers:

Elizabeth Kujawinski

The overall goal of this project is to develop an approach to metabolomics sample processing and data analysis that could be applied in a clinical setting. Specifically, we seek to develop and optimize protocols that would allow rapid screening of human stool. The project has three overarching aims. First, the development of a rapid mass spectrometry protocol for stool analysis using an untargeted solvent extraction. Second, optimization of mass spectrometry parameters to increase the quantity and quality of chemical features we detect on the mass spectrometer while simultaneously obtaining fragmentation spectra for these features, in order to improve our ability to identify features. Third, the development of an automated pipeline for data analysis and feature detection. Achieving these goals is an important step in transforming the potential of metabolomics for clinical settings.