LC-QqQ-MS/MS methodology for determination of purine and pyrimidine derivatives in unifloral honeys and application of chemometrics for their classification. (30th June 2021)

• Record Type: Journal Article
• Authors: Kuś, Piotr M.; Rola, Rafał
• Is Part Of: Food chemistry. Volume 348(2021)
• Publication Date: 2021-06-30
• Subjects: K-nearest neighbors classification -- Nitrogen compounds -- Hydrophilic interaction liquid chromatography -- Honey composition; Food -- Analysis -- Periodicals; Food -- Composition -- Periodicals; 664
• DOI: 10.1016/j.foodchem.2021.129076
• Languages: English
• ISSNs: 0308-8146

Abstract

Highlights: LC-QqQ-MS/MS methodology allowed quantization of purines and pyrimidines in honey. Different honey types contained variable levels of purine and pyrimidine derivatives. Purine & pyrimidine levels and chemometrics allowed classification of honey varieties. Abstract: The new liquid chromatographic-triple quadrupole tandem mass spectrometry (LC-QqQ-MS/MS) method for determination of purine and pyrimidine derivatives in honey produced by Apis mellifera was developed. 13 compounds were determined in total of 130 unifloral honey samples of 13 varieties: uracil, thymine, thymidine, xanthine, guanine, adenine, uridine, pseudouridine, xanthosine, inosine, hypoxanthine, guanosine and cytidine. The levels of some of these compounds varied between the specific honey types. The most abundant were uridine (up to 44.66 mg/kg), xanthine (up to 20.48 mg/kg) and xanthosine (up to 19.22 mg/kg). The data were evaluated by principal component analysis (PCA) and k-nearest neighbors (k-NN) classification (selected 9 and 8 honey types, respectively) to examine differences between the honey varieties allowing their discrimination based on purine and pyrimidine derivatives amounts. The data allowed to distinguish between 8 honey types (balanced accuracy 82%) and for most of the varieties obtained classification rates ranged from 96 to 100%.