Ion mobility conformational lipid atlas for high confidence lipidomics

Lipids are highly structurally diverse molecules involved in a wide variety of biological processes. Here, we use high precision ion mobility-mass spectrometry to compile a structural database of 456 mass-resolved collision cross sections (CCS) of sphingolipid and glycerophospholipid species. Our CC...

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Bibliographic Details
Published in:Nature communications Vol. 10; no. 1; pp. 985 - 9
Main Authors: Leaptrot, Katrina L., May, Jody C., Dodds, James N., McLean, John A.
Format: Journal Article
Language:English
Published: London Nature Publishing Group UK 28.02.2019
Nature Publishing Group
Nature Portfolio
Subjects:
140/58
631/1647/296
631/45/608
631/57/2272/2273
639/638/11/872
Animals
Biological activity
Ceramide
Databases, Chemical
Humanities and Social Sciences
Ionic mobility
Lecithin
Lipids
Lipids - chemistry
Lipids - classification
Mass spectrometry
Mass Spectrometry - methods
Mass spectroscopy
Metabolomics
Mobility
Molecular Conformation
Molecular Structure
multidisciplinary
Phosphatidic acid
Phosphatidylcholine
Phosphatidylethanolamine
Phosphatidylserine
Science
Science (multidisciplinary)
Sphingolipids
Sphingomyelin
ISSN:2041-1723, 2041-1723
Online Access:Get full text
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Summary:Lipids are highly structurally diverse molecules involved in a wide variety of biological processes. Here, we use high precision ion mobility-mass spectrometry to compile a structural database of 456 mass-resolved collision cross sections (CCS) of sphingolipid and glycerophospholipid species. Our CCS database comprises sphingomyelin, cerebroside, ceramide, phosphatidylethanolamine, phosphatidylcholine, phosphatidylserine, and phosphatidic acid classes. Primary differences observed are between lipid categories, with sphingolipids exhibiting 2–6% larger CCSs than glycerophospholipids of similar mass, likely a result of the sphingosine backbone’s restriction of the sn1 tail length, limiting gas-phase packing efficiency. Acyl tail length and degree of unsaturation are found to be the primary structural descriptors determining CCS magnitude, with degree of unsaturation being four times as influential per mass unit. The empirical CCS values and previously unmapped quantitative structural trends detailed in this work are expected to facilitate prediction of CCS in broadscale lipidomics research. The biological functions of lipids critically depend on their highly diverse molecular structures. Here, the authors determine the mass-resolved collision cross sections of 456 sphingolipid and glycerophospholipid species, providing a reference for future structural lipidomics studies.
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ISSN:2041-1723
2041-1723
DOI:10.1038/s41467-019-08897-5