Mass Spectrometric Characterization of Epoxidized Vegetable Oils.

Matrix-assisted laser desorption ionization and electrospray ionization mass spectrometry (MALDI-MS and ESI-MS) were used for the characterization of epoxidized soybean and linseed oils, which are important raw materials in the biopolymer production. The recently invented data mining approach, mass-remainder analysis (MARA), was implemented for the analysis of these types of complex natural systems. Different epoxidized triglyceride mass spectral peak series were identified, and the number of carbon atoms and epoxide groups was determined. The fragmentation mechanisms of the epoxidized triglyceride (ETG) adducts formed with different cations (such as H⁺, Na⁺, Li⁺, and NH₄⁺) were explored. As a novel approach, the evaluation of the clear fragmentation pathways of the sodiated ETG adducts enabled the estimation of the epoxidized fatty acid compositions of these types of oils by MS/MS.