Installation

You can download the development version from GitHub with:

if(!requireNamespace("devtools", quietly = TRUE))
    install.packages("devtools")
devtools::install_github("jmbadia/MS2ID", force=T)

Introduction

This package annotates MS2 query spectra by using an in-house database. The creation of such database from (mostly publicly) available resources (HMDB, ChEBI, PubChem…) relies on the use of the CompoundDb package developed by J. Stanstrup and J. Rainer.

For more information visit the package website or vignette.

Discussions and suggestions are welcome: https://github.com/jmbadia/MS2ID/issues