title: Ultrahigh resolution mass spectrometry and accurate mass measurements for high-throughput food lipids profiling.
abstract: 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.
authors.affiliation: Food Science and Nutrition Department, XaRTA (Catalonian Reference Network on Food Technology), Pharmaceutical Faculty, University of Barcelona, Avda Joan XXIII, s/n, 08028, Barcelona, Spain. stefaniavichi@ub.edu
authors.forename: Stefania
authors.initials: S
authors.lastname: Vichi
authors.forename: Nuria
authors.initials: N
authors.lastname: Cortés-Francisco
authors.forename: Josep
authors.initials: J
authors.lastname: Caixach
mesh_terms: D004041:Dietary Fats / Q000032:analysis*; D005504:Food Analysis / Q000379:methods*; D057166:High-Throughput Screening Assays / Q000379:methods*; D008055:Lipids / Q000032:analysis* / Q000737:chemistry; D010938:Plant Oils; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D004041:Dietary Fats; D008055:Lipids; D010938:Plant Oils