title: Metabolite profiling on apple volatile content based on solid phase microextraction and gas-chromatography time of flight mass spectrometry.
abstract: A headspace SPME GC-TOF-MS method was developed for the acquisition of metabolite profiles of apple volatiles. As a first step, an experimental design was applied to find out the most appropriate conditions for the extraction of apple volatile compounds by SPME. The selected SPME method was applied in profiling of four different apple varieties by GC-EI-TOF-MS. Full scan GC-MS data were processed by MarkerLynx software for peak picking, normalisation, alignment and feature extraction. Advanced chemometric/statistical techniques (PCA and PLS-DA) were used to explore data and extract useful information. Characteristic markers of each variety were successively identified using the NIST library thus providing useful information for variety classification. The developed HS-SPME sampling method is fully automated and proved useful in obtaining the fingerprint of the volatile content of the fruit. The described analytical protocol can aid in further studies of the apple metabolome.
authors.affiliation: IASMA Research and Innovation Centre, Fondazione Edmund Mach, Food Quality and Nutrition Area, S. Michele all'Adige (TN), Italy. eugenio.aprea@iasma.it
authors.forename: Eugenio
authors.initials: E
authors.lastname: Aprea
authors.forename: Helen
authors.initials: H
authors.lastname: Gika
authors.forename: Silvia
authors.initials: S
authors.lastname: Carlin
authors.forename: Georgios
authors.initials: G
authors.lastname: Theodoridis
authors.forename: Urska
authors.initials: U
authors.lastname: Vrhovsek
authors.forename: Fulvio
authors.initials: F
authors.lastname: Mattivi
mesh_terms: D005612:Freeze Drying; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D027845:Malus / Q000737:chemistry* / Q000378:metabolism; D055442:Metabolome; D055432:Metabolomics / Q000379:methods; D025341:Principal Component Analysis; D052617:Solid Phase Microextraction / Q000379:methods*; D013696:Temperature; D055549:Volatile Organic Compounds / Q000032:analysis*
chemical_list: D055549:Volatile Organic Compounds