rformassspectrometry/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
Browse package contents
Package details |
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|---|---|
| Bioconductor views | Annotation MassSpectrometry Metabolomics |
| Maintainer | |
| License | Artistic-2.0 |
| Version | 1.9.5 |
| URL | https://github.com/RforMassSpectrometry/CompoundDb |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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