title: Prediction of the genetic variety of Spanish extra virgin olive oils using fatty acid and phenolic compound profiles established by direct infusion mass spectrometry.
abstract: The genetic varieties of Spanish extra virgin olive oils (Arbequina, Hojiblanca and Picual) were predicted by direct infusion of the samples in the electrospray ionization source of a mass spectrometer, followed by linear discriminant analysis of the spectral data. The samples were 1:50 diluted (v/v) with an 85:15 propanol/methanol (v/v) mixture containing 40mM KOH and infused. The abundances of the [M-H](-) peaks of the free fatty acids (7 peaks) and 28 phenolic compounds (20 peaks) were measured. Ratios of pairs of peak abundances were used as predictors in the construction of the linear discriminant analysis models. An excellent resolution between the three genetic varieties was achieved.
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100 Burjassot, Valencia, Spain. Electronic address: mlergar@alumni.uv.es.
authors.forename: M J
authors.initials: MJ
authors.lastname: Lerma-García
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100 Burjassot, Valencia, Spain.
authors.forename: J M
authors.initials: JM
authors.lastname: Herrero-Martínez
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100 Burjassot, Valencia, Spain.
authors.forename: G
authors.initials: G
authors.lastname: Ramis-Ramos
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100 Burjassot, Valencia, Spain.
authors.forename: E F
authors.initials: EF
authors.lastname: Simó-Alfonso
keywords: Fatty acids; Genetic variety; Mass spectrometry; Olive oil authentication; Phenolic compounds