Heng-Hui Gan
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
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 | https://nottingham-repository.worktribe.com/output/722453 |
Publisher URL | http://www.sciencedirect.com/science/article/pii/S0308814613012673 |
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Publisher Licence URL
https://creativecommons.org/licenses/by/3.0/
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