Journal
BIOINFORMATICS
Volume 29, Issue 2, Pages 284-285Publisher
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/bts662
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Funding
- CIHR-MOP/CIHR/Institute of Aging [89999, TGF 96121]
- NSERC CREATE
- Autodesk Research, CFI
- CTPNL
- FRSQ
- MITACs
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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.
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