AHMassBank

AHMassBank supplies AnnotationHub with MassBank metabolite and compound annotations bundled in CompDb SQLite databases containing general compound annotation and fragment spectra.

Key Features:

• MassBank Data Integration: Retrieves MassBank metabolite and compound annotations from https://massbank.eu/MassBank for redistribution through AnnotationHub.
• CompDb SQLite Database Generation: Bundles annotations into CompDb SQLite databases containing general compound annotation and fragment spectra representing fragmentation patterns of compounds' ions.
• CompoundDb Package Integration: Processes MassBank data using helper functions from the CompoundDb Bioconductor package.

Scientific Applications:

• Metabolite Annotation: Enables compound identification through provision of curated MassBank metabolite annotations via AnnotationHub.
• Fragment Spectra Analysis: Supports interpretation of fragmentation patterns of compounds' ions through access to MassBank-derived fragment spectra.

Methodology:

MassBank data is retrieved from https://massbank.eu/MassBank and processed using helper functions from the CompoundDb Bioconductor package into redistributable SQLite databases.