Prchalová J, Kovařík F, Rajchl A
Department of Food Preservation, University of Chemistry and Technology Prague, Technicka 5, 166 28, Prague 6, Czech Republic.
J Mass Spectrom. 2017 Feb;52(2):116-126. doi: 10.1002/jms.3905.
The paper focuses on the optimization, settings and validation of direct analysis in real time coupled with time-of-flight detector when used for the evaluation of the quality of selected herbal teas (fennel, chamomile, nettle, linden, peppermint, thyme, lemon balm, marigold, sage, rose hip and St. John's wort). The ionization mode, the optimal ionization temperature and the type of solvent for sample extraction were optimized. The characteristic compounds of the analysed herbal teas (glycosides, flavonoids and phenolic and terpenic substances, such as chamazulene, anethole, menthol, thymol, salviol and hypericin) were detected. The obtained mass spectra were evaluated by multidimensional chemometric methods, such as cluster analysis, linear discriminate analysis and principal component analysis. The chemometric methods showed that the single variety herbal teas were grouped according to their taxonomic affiliation. The developed method is suitable for quick identification of herbs and can be potentially used for assessing the quality and authenticity of herbal teas. Direct analysis in real time/time-of-flight-MS is also suitable for the evaluation of selected substances contained in the mentioned herbs and herbal products. Copyright © 2017 John Wiley & Sons, Ltd.
本文重点研究实时直接分析结合飞行时间检测器在用于评估所选花草茶（茴香、洋甘菊、荨麻、椴树、薄荷、百里香、柠檬香脂、金盏花、鼠尾草、玫瑰果和圣约翰草）质量时的优化、设置及验证。对电离模式、最佳电离温度和样品萃取溶剂类型进行了优化。检测了所分析花草茶的特征化合物（糖苷、黄酮类以及酚类和萜类物质，如天蓝烃、茴香脑、薄荷醇、百里香酚、鼠尾草酚和金丝桃素）。通过多维化学计量学方法，如聚类分析、线性判别分析和主成分分析，对所得质谱进行评估。化学计量学方法表明，单一品种的花草茶根据其分类归属进行了分组。所开发的方法适用于快速鉴定草药，并有可能用于评估花草茶的质量和真伪。实时直接分析/飞行时间质谱也适用于评估上述草药和草药产品中所含的选定物质。版权所有© 2017约翰威立父子有限公司。
