massDatabase

massDatabase integrates LC-MS metabolic feature data with online compound and pathway databases, implemented as an R package, to generate metabolite annotations and pathway enrichment results for biological function interpretation.

Key Features:

• Integration with Online Databases: Interfaces with multiple online public compound and pathway databases to retrieve reference data for annotation and enrichment.
• R package interface: Provides R functions to access and integrate online databases into analyses.
• Streamlined Workflow: Combines functionalities from diverse sources to convert metabolic feature entries into metabolite annotations and pathway-level results.
• Comprehensive Biological Function Mining: Leverages extensive compound and pathway database content to enable in-depth biological function mining from LC-MS datasets.

Scientific Applications:

• Metabolite Annotation: Cross-references LC-MS features with online compound databases to assign metabolite annotations.
• Pathway Enrichment Analysis: Maps annotated metabolites to pathway databases to perform pathway enrichment and interpret biological pathways represented in the data.

Methodology:

The package integrates data from multiple online public compound and pathway databases via R functions to enable compound annotation and pathway enrichment analyses.