Mingxun Wang

Dec 5, 2023 | nature.com | Stephanie Collins |Pedro Belda-Ferre |Hsueh-Han Lu |Julian Avila-Pacheco |Damian R. Plichta |Mingxun Wang | +9 more

AbstractDetermining the structure and phenotypic context of molecules detected in untargeted metabolomics experiments remains challenging. Here we present reverse metabolomics as a discovery strategy, whereby tandem mass spectrometry spectra acquired from newly synthesized compounds are searched for in public metabolomics datasets to uncover phenotypic associations.