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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 "LOBSTAHS" in publications use:'
type: software
license: GPL-3.0-or-later
title: 'LOBSTAHS: Lipid and Oxylipin Biomarker Screening through Adduct Hierarchy
  Sequences'
version: 1.38.0
doi: 10.1021/acs.analchem.6b01260
identifiers:
- type: doi
  value: 10.32614/CRAN.package.LOBSTAHS
abstract: LOBSTAHS is a multifunction package for screening, annotation, and putative
  identification of mass spectral features in large, HPLC-MS lipid datasets. In silico
  data for a wide range of lipids, oxidized lipids, and oxylipins can be generated
  from user-supplied structural criteria with a database generation function. LOBSTAHS
  then applies these databases to assign putative compound identities to features
  in any high-mass accuracy dataset that has been processed using xcms and CAMERA.
  Users can then apply a series of orthogonal screening criteria based on adduct ion
  formation patterns, chromatographic retention time, and other properties, to evaluate
  and assign confidence scores to this list of preliminary assignments. During the
  screening routine, LOBSTAHS rejects assignments that do not meet the specified criteria,
  identifies potential isomers and isobars, and assigns a variety of annotation codes
  to assist the user in evaluating the accuracy of each assignment.
authors:
- family-names: Collins
  given-names: James
  email: james.r.collins@aya.yale.edu
- family-names: Fredricks
  given-names: Helen
  email: hfredricks@whoi.edu
- family-names: Edwards
  given-names: Bethanie
  email: bedwards@whoi.edu
- family-names: Van Mooy
  given-names: Benjamin
  email: bvanmooy@whoi.edu
- family-names: Lowenstein
  given-names: Daniel
  email: dlowenstein@whoi.edu
- family-names: Holm
  given-names: Henry
  email: hholm@whoi.edu
preferred-citation:
  type: article
  title: 'LOBSTAHS: An adduct-based lipidomics strategy for discovery and identification
    of oxidative stress biomarkers'
  authors:
  - family-names: Collins
    given-names: J. R.
  - family-names: Edwards
    given-names: B. R.
  - family-names: Fredricks
    given-names: H. F.
  - family-names: Van Mooy
    given-names: B. A. S.
  journal: Analytical Chemistry
  year: '2016'
  volume: '88'
  url: https://doi.org/10.1021/acs.analchem.6b01260
  start: 7154-7162
  doi: 10.1021/acs.analchem.6b01260
repository: https://bioc-release.r-universe.dev
repository-code: https://github.com/vanmooylipidomics/LOBSTAHS/issues/new
commit: 4dbf7018844749b1fd5093df99157c16fda1e69e
url: http://bioconductor.org/packages/LOBSTAHS
date-released: '2021-08-30'
contact:
- family-names: Collins
  given-names: James
  email: james.r.collins@aya.yale.edu
references:
- type: generic
  title: 'LOBSTAHS: An adduct-based lipidomics strategy for discovery and identification
    of oxidative stress biomarkers'
  authors:
  - family-names: Collins
    given-names: J. R.
  - family-names: Edwards
    given-names: B. R.
  - family-names: Fredricks
    given-names: H. F.
  - family-names: Van Mooy
    given-names: B. A. S.
  url: https://doi.org/10.18129/B9.bioc.LOBSTAHS
  doi: 10.18129/B9.bioc.LOBSTAHS