Bits & Bites # 09: Compound ID in nontargeted analysis by integrating MS, MS/MS, retention time, and biological likelihood
Date & Time: December 4, 2025, from 9 am to 1 pm PT
Instructor: Dr. Oliver Fiehn, UC Davis
Registration & Payment:
- Required Software: None
- Participant prerequisites: None
- Level: Intermediate
- Short description of the course: Metabolomics data can only be interpreted if metabolites are correctly identified. Confidence in metabolomic data reports requires a transparent strategy for combining different types of information. Accurate mass and MS/MS is often not sufficient, because many types of isomeric compounds exist. UC Davis offers Mass.Wiki to match user data against a standardized repository that includes retention time predictions and matches against biological specimens in UC Davis data, GNPS, MetabolomicsWorkbench, and MetaboLight repositories. After introductory remarks, participants will work in compound annotations, including for currently unidentified compounds that we explore in 'Fuzzy Searches'.