From a 30,000 ft view, there are two types of LC-MS-based metabolomics approaches. One is targeted which results in a quantitative list. This is most analogous to quantitative PCR and the resulting data table is usually compatible with traditional metabolic pathways. While the second is untargeted where a lot of data is collected and akin to metagenomics or transcriptomics data there are 1001 ways to analyze the information. In this presentation, we will highlight some of the latest tools that mine untargeted mass spectrometry data to enable the discovery of thousands of new microbiota-derived metabolites, their structures, their producers, and phenotypic associations. I will further highlight the development of a community resource that makes it easier to understand what molecules are made by microbes, or that come from diet or the host.

Leveraging public mass spectrometry data to discover new microbiome-derived molecules

Where thousands of chemistry professionals meet to share ideas and advance scientific and technical knowledge. Spring 2023 abstracts, posters, and presentations will launch at the end of March.

ACS Spring 2023

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.