Browsing by Subject "Non-targeted metabolomics strategy"

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    Discrimination of the geographical origin of peaches by the monitoring of volatile organic compounds by gas chromatography with mass spectrometry and chemometric tools
    (Elsevier, 2024-02-24) Giménez Campillo, Claudia; Arroyo Manzanares, Natalia; Pastor Belda, Marta; Campillo Seva, Natalia; Viñas López-Pelegrin, Pilar; Química Analítica
    The peach is one of the most popular and widely consumed fruits in Europe. Spain is the largest peach-producing country in the world with several growing areas recognised by consumers. This work focuses on the development, optimisation and validation of a non-targeted metabolomics strategy for the determination of peach volatile organic compounds from different origins by headspace gas chromatography coupled to mass spectrometry (HS–GC–MS). The volatil profile found in each sample is used to classify peaches according to their origin. The results obtained were processed using MS-DIAL software and 279 features were detected, of which 102 volatile compounds were tentatively identified and 30 of them could also be quantified. In addition, the areas of all the features were used to build models based on orthogonal partial least squares discriminant analysis (OPLS-DA) to differentiate peaches according to their geographical origin. A very promising model was obtained, with a validation rate of 90.32%, which means that it could be used to guarantee the Protected Designation of Origin of different peaches with a simple analysis.