LOBSTAHS: Lipid and Oxylipin Biomarker Screening through Adduct Hierarchy Sequences
Version 1.2.1

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.

Package details

AuthorJames Collins [aut, cre], Helen Fredricks [aut], Bethanie Edwards [aut], Benjamin Van Mooy [aut]
Bioconductor views DataImport Lipidomics MassSpectrometry Metabolomics
MaintainerJames Collins <[email protected]>
LicenseGPL (>= 3) + file LICENSE
URL http://bioconductor.org/packages/LOBSTAHS
Package repositoryView on Bioconductor
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LOBSTAHS documentation built on July 4, 2017, 10:06 a.m.