metID

metID annotates LC-MS metabolomics data by integrating in-house and public spectral databases to enable accurate compound identification in untargeted metabolomics and exposomics.

Key Features:

• Comprehensive Database Integration: Combines spectral information from in-house and public databases to expand reference coverage for compound annotation.
• Automated and Reproducible Annotation: Automates the compound annotation workflow to produce reproducible and efficient analyses.
• Multi-dimensional Spectral Matching: Uses accurate mass (m/z), retention time (RT), and MS2 spectra for matching unknowns to database entries.

Scientific Applications:

• Untargeted Metabolomics: Facilitates identification of unknown metabolites in complex biological samples using LC-MS data and MS2 spectral matching.
• Exposomics: Supports identification of environmental and exposure-related compounds by matching LC-MS features to spectral references.

Methodology:

Integrates spectral data from in-house and public databases and matches unknown compounds to database entries using accurate mass (m/z), retention time (RT), and MS2 spectra.