Fingerprinting based on gas chromatography-Orbitrap high-resolution mass spectrometry and chemometrics to reveal geographical origin, processing, and volatile markers for thyme authentication

• Published in: Food chemistry Vol. 393; p. 133377
• Main Authors: Rivera-Pérez, Araceli, Romero-González, Roberto, Garrido Frenich, Antonia
• Format: Journal Article
• Language: English
• Published: England Elsevier Ltd 01.11.2022
• Subjects: Food authenticity; Gas chromatography; High-resolution mass spectrometry; Multivariate data analysis; Untargeted metabolomics; Volatiles; Gas chromatography; High-resolution mass spectrometry; Food authenticity; Volatiles; Multivariate data analysis; Untargeted metabolomics
• ISSN: 0308-8146; 1873-7072
• DOI: 10.1016/j.foodchem.2022.133377

•The first study applying GC-HRMS fingerprinting for authentication of thyme.•Spanish, Moroccan, and Polish thyme was distinguished by PLS-DA.•OPLS-DA allowed discriminating processing between non-sterilized and sterilized thyme.•PLS-DA/OPLS-DA models were validated showing an excellent predictive ability of 100%.•24 metabolites were described as markers for reliable sample discrimination. Thyme is an aromatic herb traditionally used for food purposes due to its organoleptic characteristics and medicinal properties, which is highly susceptible to food fraud. In this study, GC-HRMS-based fingerprinting was applied for the first time to determine the geographical traceability of thyme based on different origins (Spain, Poland, and Morocco), as well as to assess its processing by comparing sterilized vs. non-sterilized thyme. Unsupervised chemometric methods (PCA and HCA) revealed a predominant influence of the geographical origin on thyme fingerprints rather than processing effects. Supervised PLS-DA and OPLS-DA were used for discrimination purposes, revealing high predictive ability for further samples (100%), and allowing the identification of differential compounds (markers). A total of 24 markers were putatively identified (13 metabolites were confirmed) belonging to different classes: monoterpenoids, diterpenoids, sesquiterpenoids, alkenylbenzenes, and other miscellaneous compounds. This study outlines the potential of combining untargeted analysis by GC-HRMS with chemometrics for thyme authenticity and traceability.