Premium
Desorption/ionization efficiencies of triacylglycerols and phospholipids via EASI‐MS
Author(s) -
Fernandes Anna Maria A. P.,
Fernandes Gabriel D.,
BarreraArellano Daniel,
Sá Gilberto F.,
Lins Roberto D.,
Eberlin Marcos N.,
Alberici Rosana M.
Publication year - 2014
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.3366
Subject(s) - chemistry , degree of unsaturation , ionization , desorption , mass spectrometry , ambient ionization , chemical ionization , protonation , analytical chemistry (journal) , electrospray ionization , field desorption , chromatography , organic chemistry , ion , adsorption
Knowledge of the major effects governing desorption/ionization efficiency is required for the development and application of ambient mass spectrometry. Although all triacylglycerols (TAG) have the same favorable protonation and cationization sites, their desorption/ionization efficiencies can vary dramatically during easy ambient sonic‐spray ionization because of structural differences in the carbon chain. To quantify this somewhat surprising and drastic effect, we have performed a systematic investigation of desorption/ionization efficiencies as a function of unsaturation and length for TAG as well as for diacylglycerols, monoacylglycerols and several phospholipids (PL). Affinities for Na + as a function of unsaturation level have also been assayed via comprehensive metadynamics calculations to understand the influence of this phenomenon on the ionization efficiency. The results suggest that dipole–dipole interactions within a carbon chain tuned by unsaturation sites govern ionization efficiency of TAG and PL. Copyright © 2014 John Wiley & Sons, Ltd.