Skip to main content

Research Repository

Advanced Search

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; Soukoulis, Christos; Fisk, Ian D.

Authors

Heng-Hui Gan

Christos Soukoulis sbzcs3@exmail.nottingham.ac.uk



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.

Citation

Gan, H., Soukoulis, C., & Fisk, I. 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, https://doi.org/10.1016/j.foodchem.2013.09.024

Journal Article Type Article
Acceptance Date Sep 4, 2013
Online Publication Date Sep 4, 2013
Publication Date Mar 1, 2014
Deposit Date Apr 28, 2014
Publicly Available Date Apr 28, 2014
Journal Food Chemistry
Print ISSN 0308-8146
Electronic ISSN 0308-8146
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 146
DOI https://doi.org/10.1016/j.foodchem.2013.09.024
Public URL http://eprints.nottingham.ac.uk/id/eprint/2631
Publisher URL http://www.sciencedirect.com/science/article/pii/S0308814613012673
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0

Files

Line_80_Atmospheric_pressure_chemical_ionisation.pdf (1.3 Mb)
PDF

Publisher Licence URL
http://creativecommons.org/licenses/by/3.0/





You might also like



Downloadable Citations