Atmospheric pressure chemical ionisation mass spectrometry analysis linked with chemometrics for food classification – a case study: geographical provenance and cultivar classification of monovarietal clarified apple juices

Gan, Heng-Hui and Soukoulis, Christos and Fisk, Ian D. (2014) Atmospheric pressure chemical ionisation mass spectrometry analysis linked with chemometrics for food classification – a case study: geographical provenance and cultivar classification of monovarietal clarified apple juices. Food Chemistry, 146 . pp. 149-156. ISSN 0308-8146

[img] PDF - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Available under Licence Creative Commons Attribution.
Download (1MB)

Abstract

In the present work, we have evaluated for first time the feasibility of APCI-MS volatile compound fingerprinting in conjunction with chemometrics (PLS-DA) as a new strategy for rapid and non-destructive food classification. For this purpose 202 clarified monovarietal juices extracted from apples differing in their botanical and geographical origin were used for evaluation of the performance of APCI-MS as a classification tool. For an independent test set PLS-DA analyses of pre-treated spectral data gave 100% and 94.2% correct classification rate for the classification by cultivar and geographical origin, respectively. Moreover, PLS-DA analysis of APCI-MS in conjunction with GC-MS data revealed that masses within the spectral ACPI-MS data set were related with parent ions or fragments of alkyesters, carbonyl compounds (hexanal, trans-2-hexenal) and alcohols (1-hexanol, 1-butanol, cis-3-hexenol) and had significant discriminating power both in terms of cultivar and geographical origin.

Item Type: Article
Schools/Departments: University of Nottingham UK Campus > Faculty of Science > School of Biosciences > Division of Food Sciences
Depositing User: Snowden, Ms Diane
Date Deposited: 28 Apr 2014 12:56
Last Modified: 14 Sep 2016 19:22
URI: http://eprints.nottingham.ac.uk/id/eprint/2631

Actions (Archive Staff Only)

Edit View Edit View