Skip to content

CompoundDb

Bioc current

Creating and Using (Chemical) Compound Annotation Databases

v1.16.0 · software · Artistic-2.0
View on Bioconductor ↗ Source ↗

Release Lineage

Entered 3.15 · Apr 27, 2022

Current · Requires R 4.6

1.0 In 9 of 49 releases 3.23

Description

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.

Code

Code metrics have not been computed for this package yet.

Topics

Software › Technology › MassSpectrometry
Software › ResearchField › Metabolomics
Software › WorkflowStep › Annotation

Depended on by (5)

Bioconductor (4)

AHMassBank AnnotationHub MetaboAnnotation MetMashR

CRAN (1)

pubchem.bio

People