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# CITATION.cff file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "Spec2Annot" in publications use:'
type: software
license: CECILL-1.0
title: 'Spec2Annot: Annotation of Mass Spectra'
version: 1.3.4
doi: 10.32614/CRAN.package.Spec2Annot
abstract: 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.
authors:
- family-names: Dechaumet
  given-names: Sylvain
  email: sylvain.dechaumet@cea.fr
repository: https://odisce.r-universe.dev
repository-code: https://github.com/odisce/Spec2Annot
commit: f551933f50c4c1133b437161efc9a597d4b24421
url: https://github.com/odisce/Spec2Annot
date-released: '2026-09-15'
contact:
- family-names: Dechaumet
  given-names: Sylvain
  email: sylvain.dechaumet@cea.fr