Visualization and Phospholipid Identification (VaLID): online integrated search engine capable of identifying and visualizing glycerophospholipids with given mass

Description
Title: Visualization and Phospholipid Identification (VaLID): online integrated search engine capable of identifying and visualizing glycerophospholipids with given mass
Authors: Blanchard, Alexandre P.
McDowell, Graeme S. V.
Valenzuela, Nico
Xu, Hongbin
Gelbard, Sarah
Bertrand, Martin
Slater, Gary W.
Figeys, Daniel
Fai, Stephen
Bennett, Steffany A.L.
Date: 2013-04-22
Abstract: Motivation: Establishing phospholipid identities in large lipidomic datasets is a labour-intensive process. Where genomics and proteomics capitalize on sequence-based signatures, glycerophospholipids lack easily definable molecular fingerprints. Carbon chain length, degree of unsaturation, linkage, and polar head group identity must be calculated from mass to charge (m/z) ratios under defined mass spectrometry (MS) conditions. Given increasing MS sensitivity, many m/z values are not represented in existing prediction engines. To address this need, Visualization and Phospholipid Identification is a web-based application that returns all theoretically possible phospholipids for any m/z value and MS condition. Visualization algorithms produce multiple chemical structure files for each species. Curated lipids detected by the Canadian Institutes of Health Research Training Program in Neurodegenerative Lipidomics are provided as high-resolution structures. Availability: VaLID is available through the Canadian Institutes of Health Research Training Program in Neurodegenerative Lipidomics resources web site at https://www.med.uottawa.ca/lipidomics/ resources.html. Contacts: lipawrd@uottawa.ca Supplementary Information: Supplementary data are available at Bioinformatics online.
URL: http://hdl.handle.net/10393/24031
http://bioinformatics.oxfordjournals.org/content/29/2/284
DOI: 10.1093/bioinformatics/bts662
CollectionBiochimie, microbiologie et immunologie // Biochemistry, Microbiology and Immunology
Libre accès uOttawa - Publications // uOttawa Open Access - Publications
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