Benchmarking Non-Targeted Metabolomics Using Yeast-Derived Libraries.

ABSTRACT: Non-targeted analysis by high-resolution mass spectrometry (HRMS) is an essential discovery tool in metabolomics. To date, standardization and validation remain a challenge. Community-wide accepted cost-effective benchmark materials are lacking. In this work, we propose yeast (Pichia pastoris) extracts derived from fully controlled fermentations for this purpose. We established an open-source metabolite library of >200 identified metabolites based on compound identification by accurate mass, matching retention times, and MS/MS, as well as a comprehensive literature search. The library includes metabolites from the classes of (1) organic acids and derivatives (2) nucleosides, nucleotides, and analogs, (3) lipids and lipid-like molecules, (4) organic oxygen compounds, (5) organohetero

SUBMITTER: Rampler E 

PROVIDER: S-EPMC7998801 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature