Ion mobility conformational lipid atlas for high confidence lipidomics

Nature Communications
Katrina L LeaptrotJohn A McLean

Abstract

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.

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Citations

Jul 10, 2019·Journal of the American Society for Mass Spectrometry·Rodell C Barrientos, Qibin Zhang
Jan 31, 2020·Expert Review of Proteomics·Esei T TeclemariamStephanie M Cologna
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Jan 19, 2020·Nature Communications·Wenbo CaoXiaoxiao Ma
Jan 18, 2020·Nature Communications·Catherine G VasilopoulouFlorian Meier
Aug 20, 2019·Journal of Molecular Biology·Joan Bestard-EscalasGwendolyn Barceló-Coblijn
Sep 3, 2019·Clinica Chimica Acta; International Journal of Clinical Chemistry·Yan-Ni WangYing-Yong Zhao
Jan 26, 2021·Mass Spectrometry Reviews·Aurélie DelvauxSandra Alves
Feb 4, 2021·Journal of the American Society for Mass Spectrometry·Cameron N Naylor, Brian H Clowers
Jan 11, 2021·Journal of Pharmaceutical and Biomedical Analysis·Keabetswe MasikeAndré de Villiers
Feb 13, 2021·Analytical and Bioanalytical Chemistry·Michael WittingHans-Joachim Knölker
Jan 24, 2020·Journal of the American Society for Mass Spectrometry·Måns EkelöfDavid C Muddiman
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Aug 27, 2021·Journal of the American Society for Mass Spectrometry·Jarod A FincherJeffrey M Spraggins
Jan 30, 2020·Journal of the American Chemical Society·Hai-Fang LiZheng Ouyang

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