Christine M. Aceves

The paper creates a suspect spectral library for untargeted metabolomics by propagating annotations from public MS/MS spectra to improve interpretation of unannotated spectra.

The paper develops ReDU, a tool for discovering and re-analyzing metabolomics data in GNPS, following FAIR principles.

This paper expands the interpretability of human metabolomes by using food-based annotations, increasing the fraction of molecular features understood 7-fold.

MASST enables querying of public small-molecule tandem MS data to discover molecular relationships in metabolomics and natural product datasets.

This paper uses untargeted mass spectrometry to analyze chemical changes in foods during preparation and storage, finding that some processes alter molecular composition while others primarily involve extraction.