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.
Christos Soukoulis email@example.com
Ian D. Fisk firstname.lastname@example.org
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.
|Journal Article Type||Article|
|Publication Date||Mar 1, 2014|
|Peer Reviewed||Peer Reviewed|
|APA6 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, doi:10.1016/j.foodchem.2013.09.024|
|Copyright Statement||Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0|