<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Annotation of Mass Spectra</dc:title>
  <dc:title>R package Spec2Annot version 1.3.4</dc:title>
  <dc:description>Provides a comprehensive suite of functions to efficiently annotate mass spectra data.
              Motivated by the need for rapid and accurate chemical identification in high-resolution mass
              spectrometry, it integrates built-in chemical databases and high-performance C++ algorithms.
              Users can perform mass-to-charge (m/Z) and retention time searches, determine elemental
              compositions of molecules using heuristic rules, including specific isotopes, and annotate MS2
              spectra with structural metrics using configurable chemistry rules.</dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Depends: R (&gt;= 4.0.0)</dc:relation>
  <dc:relation>Imports: data.table, magrittr, Rcpp, stringr</dc:relation>
  <dc:relation>LinkingTo: Rcpp</dc:relation>
  <dc:relation>Suggests: testthat (&gt;= 3.0.0)</dc:relation>
  <dc:creator>Sylvain Dechaumet &lt;sylvain.dechaumet@cea.fr&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Sylvain Dechaumet [aut, cre],
  Etienne Thevenot [ctb],
  Eric Venot [rev],
  Annelaure Damont [ctb],
  Anaïs Legrand [ctb]</dc:contributor>
  <dc:rights>CeCILL</dc:rights>
  <dc:date>2026-09-26</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=Spec2Annot</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.Spec2Annot</dc:identifier>
</oai_dc:dc>
