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# CITATION 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 "MetaboAnnotatoR" in publications use:'
type: software
license: GPL-3.0-only
title: 'MetaboAnnotatoR: Automated Annotation of All-Ion Fragmentation LC-MS Metabolomic
  Features'
version: 1.1.1
doi: 10.1021/acs.analchem.1c03032
identifiers:
- type: doi
  value: 10.32614/CRAN.package.MetaboAnnotatoR
abstract: Performs feature annotations on LC-MS All-ion fragmentation datasets using
  fragment ion libraries.
authors:
- family-names: Graca
  given-names: Goncalo
  email: ggraca22@gmail.com
  orcid: https://orcid.org/0000-0002-0876-3876
- family-names: Cai
  given-names: Yuheng (Rene)
  email: rene.cai@unc.edu
- family-names: Ebbels
  given-names: Timothy
  email: t.ebbels@imperial.ac.uk
preferred-citation:
  type: article
  title: Automated annotation of untargeted all-ion fragmentation LC-MS metabolomics
    data with MetaboAnnotatoR
  authors:
  - family-names: Graca
    given-names: Goncalo
    email: ggraca22@gmail.com
    orcid: https://orcid.org/0000-0002-0876-3876
  - family-names: Lau
    given-names: Chung-Ho E.
  - family-names: Vorkas
    given-names: Panagiotis A.
  - family-names: Lewis
    given-names: Matthew R.
  - family-names: Want
    given-names: Elizabeth J.
  - family-names: Herrington
    given-names: David
  - family-names: Ebbels
    given-names: Timothy M. D.
  journal: Analytical Chemistry
  year: '2022'
  volume: '94'
  issue: '8'
  doi: 10.1021/acs.analchem.1c03032
  start: 3446-3455
repository: https://bioc.r-universe.dev
repository-code: https://github.com/gggraca/MetaboAnnotatoR
commit: cbb249664f58635e3e7d0e2571395f9352271150
url: https://github.com/gggraca/MetaboAnnotatoR
date-released: '2026-05-26'
contact:
- family-names: Graca
  given-names: Goncalo
  email: ggraca22@gmail.com
  orcid: https://orcid.org/0000-0002-0876-3876