Fast triacylglycerol screening and semi-quantitative analysis of fatty acids in commercial oils by DIMs with 18-crown-6 ether/trifluoracetic acid dopants

Abstract

Vegetable oil analyses, especially due to the complexity of the oil components, are commonly laborious, requiring several analytical techniques. In this work, electrospray ionization mass spectrometry with direct injection (DIMS), along with 18-crown-6 ether (crown ether) chelating agent and trifluoroacetic acid (TFA), was used to characterize and semi-quantitatively evaluate commercial vegetable oils. As a result, an unprecedented DIMS method of triacylglycerols (TAGs) analysis for semi-quantitative profiling of fatty acids in commercial oils (e.g., soybean, sunflower, corn, oil, canola), without sample derivatization, was developed. The results of the ion abundances related to the analyzed TAGs, with quantitative percentage analyzed by gas chromatography with flame ionization detector (GC-FID), allowed generating correction factors for each oil. DIMS analysis with crown ether/TFA resulted in the elimination of isobaric interferences from sodium and potassium adducts, facilitating the ion assignments, due to the one-ion-per-molecule observation in the mass spectrum. Chemometric analyses by principal component analysis (PCA) and heatmap, to evaluate the ionic profile of the oils, grouped them accordingly to their TAG content. Olive oil was identified as the most different from the other oils. Overall, a semi-quantitative approach to investigate the vegetable oils, reaching low percentage variation for DIMS, with 2 min analyses and 30 min sample preparation, was proposed.