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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.
| Version: | 1.3.5 |
| Depends: | R (≥ 4.0.0) |
| Imports: | data.table, magrittr, Rcpp, stringr |
| LinkingTo: | Rcpp |
| Suggests: | testthat (≥ 3.0.0) |
| Published: | 2026-09-28 |
| DOI: | 10.32614/CRAN.package.Spec2Annot |
| Author: | Sylvain Dechaumet [aut, cre], Etienne Thevenot [ctb], Eric Venot [rev], Annelaure Damont [ctb], Anaïs Legrand [ctb] |
| Maintainer: | Sylvain Dechaumet <sylvain.dechaumet at cea.fr> |
| BugReports: | https://github.com/odisce/Spec2Annot/issues |
| License: | CeCILL version 2 | CECILL-2.1 [expanded from: CeCILL] |
| URL: | https://github.com/odisce/Spec2Annot |
| NeedsCompilation: | yes |
| Materials: | README |
| CRAN checks: | Spec2Annot results |
| Reference manual: | Spec2Annot.html , Spec2Annot.pdf |
| Package source: | Spec2Annot_1.3.5.tar.gz |
| Windows binaries: | r-devel: Spec2Annot_1.3.5.zip, r-release: Spec2Annot_1.3.5.zip, r-oldrel: Spec2Annot_1.3.5.zip |
| macOS binaries: | r-release (arm64): Spec2Annot_1.3.5.tgz, r-oldrel (arm64): Spec2Annot_1.3.5.tgz, r-release (x86_64): Spec2Annot_1.3.5.tgz, r-oldrel (x86_64): Spec2Annot_1.3.5.tgz |
| Old sources: | Spec2Annot archive |
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These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.