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Ultrahigh resolution mass spectrometry and accurate mass measurements for high‐throughput food lipids profiling
Author(s) -
Vichi Stefania,
CortésFrancisco Nuria,
Caixach Josep
Publication year - 2012
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.3017
Subject(s) - chemistry , orbitrap , mass spectrometry , mass spectrum , analytical chemistry (journal) , mass , resolution (logic) , chromatography , artificial intelligence , computer science
In the present study, accurate mass measurements by ultrahigh resolution mass spectrometry with Orbitrap‐Exactive working at resolving power R: 100,000 ( m/z 200, full width at half maximum) with an accuracy better than 2 ppm in all the mass range ( m/z 200 to 2000) were used to show a detailed molecular composition of diverse edible oils and fats. Flow injection was used to introduce samples into the mass spectrometer, obtaining a complete analysis of each sample in less than 10 min, including blanks. Meticulous choice of organic solvents and optimization of the ion source and Orbitrap mass analyzer parameters were carried out, in order to achieve reproducible mass spectra giving reliable elemental compositions of the lipid samples and to prevent carry over. More than 200 elemental compositions attributable to diacylglycerols, triacylglycerols (TAGs), and their oxidation products have been found in the spectra of food lipids from different origin. Several compounds with very close molecular mass could only be resolved through ultrahigh resolution, allowing detailed and robust TAG profiling with a high characterization potential. Copyright © 2012 John Wiley & Sons, Ltd.