GNPS Ion Mobility Library 1

This library contains MS/MS spectra collected from multiplexed mixtures including combinatorial synthesis reaction mixtures or crude mixtures of drugs, bile acids, and other small molecules. The compound name includes the experimental collision cross section (CCS) values for annotated molecules. Data was collected on a timsTOF Pro 2 in positive ESI mode. Feature extraction and annotations were processed in Metaboscape 2025b. The spectral library was created by Victoria Deleray [e-mail] in the Dorrestein Lab at the University of California, San Diego.