title: Electrospray ionization mass spectrometry and partial least squares discriminant analysis applied to the quality control of olive oil.
abstract: Direct infusion electrospray ionization mass spectrometry in the positive ion mode [ESI(+)-MS] is used to obtain fingerprints of aqueous-methanolic extracts of two types of olive oils, extra virgin (EV) and ordinary (OR), as well as of samples of EV olive oil adulterated by the addition of OR olive oil and other edible oils: corn (CO), sunflower (SF), soybean (SO) and canola (CA). The MS data is treated by the partial least squares discriminant analysis (PLS-DA) protocol aiming at discriminating the above-mentioned classes formed by the genuine olive oils, EV (1) and OR (2), as well as the EV adulterated samples, i.e. EV/SO (3), EV/CO (4), EV/SF (5), EV/CA (6) and EV/OR (7). The PLS-DA model employed is built with 190 and 70 samples for the training and test sets, respectively. For all classes (1-7), EV and OR olive oils as well as the adulterated samples (in a proportion varying from 0.5 to 20.0% w/w) are properly classified. The developed methodology required no ions identification and demonstrated to be fast, as each measurement lasted about 3 min including the extraction step and MS analysis, and reliable, because high sensitivities (rate of true positives) and specificities (rate of true negatives) were achieved. Finally, it can be envisaged that this approach has potential to be applied in quality control of EV olive oils.
authors.affiliation: Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901, Belo Horizonte, MG, Brazil.
authors.forename: Junia O
authors.initials: JO
authors.lastname: Alves
authors.forename: Bruno G
authors.initials: BG
authors.lastname: Botelho
authors.forename: Marcelo M
authors.initials: MM
authors.lastname: Sena
authors.forename: Rodinei
authors.initials: R
authors.lastname: Augusti
mesh_terms: D016002:Discriminant Analysis; D005506:Food Contamination / Q000032:analysis*; D016018:Least-Squares Analysis; D000069463:Olive Oil; D010938:Plant Oils / Q000737:chemistry*; D011786:Quality Control; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D000069463:Olive Oil; D010938:Plant Oils
keywords: ESI-MS; PLS-DA; adulteration; edible oils; extra virgin olive oil; olive oil authentication; ordinary olive oil