EuracBiomedicalResearch/CompoundDb: Creating and Using (Chemical) Compound Annotation Databases

CompoundDb provides functionality to create and use (chemical) compound annotation databases from a variety of different sources such as LipidMaps, HMDB, ChEBI or MassBank. The database format allows to store in addition MS/MS spectra along with compound information. The package provides also a backend for Bioconductor's Spectra package and allows thus to match experimetal MS/MS spectra against MS/MS spectra in the database. Databases can be stored in SQLite format and are thus portable.

Getting started

Package details

Bioconductor views Annotation MassSpectrometry Metabolomics
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
EuracBiomedicalResearch/CompoundDb documentation built on June 4, 2024, 8:16 p.m.