Abstract

A liquid chromatography−quadrupole time-of-flight mass spectrometry (LC−QTOF/MS) based plant metabolomics approach was established to investigate the metabolic profiles of the Cinnamomum camphora leaves of four different areas. The LC−QTOF/MS data were subjected to principal component analysis (PCA) and orthogonal partial least squared discrimination analysis (OPLS-DA) to find the potential characteristic components of C. camphora leaves from the four areas in a quick way. C. camphora leaves from different areas could be separated into four different groups chemically according to the PCA scores. The chemical constituents in C. camphora leaves from four areas were obviously different. The potential markers were identified by comparison with the reference compounds or were tentatively assigned by matching the retention time, empirical molecular formula and fragment ions with those of the published compounds of C. camphora leaves. The proposed analytical method is fast, accurate and reliable for differentiating C. camphora leaves from different areas. Moreover, this study supplied a new method for the quality evaluation of other medicinal materials.

中文翻译：

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基于高效液相色谱-四极杆飞行时间质谱的代谢组学检测樟脑樟不同化学型的挥发性成分

摘要

建立了基于液相色谱-四极杆飞行时间质谱（LC - QTOF / MS）的植物代谢组学方法，以研究四个不同区域的樟树叶片的代谢谱。对LC-QTOF / MS数据进行主成分分析（PCA）和正交偏最小二乘判别分析（OPLS-DA），以便从四个区域快速找到樟脑叶子的潜在特征成分。根据PCA分数，可以将不同地区的樟脑叶化学地分为四个不同的组。樟脑中的化学成分四个地区的叶子明显不同。通过与参考化合物进行比较来识别潜在的标记，或者通过将保留时间，经验分子式和碎片离子与樟脑樟叶的已发表化合物进行匹配来对它们进行暂定分配。所提出的分析方法快速，准确，可靠，可用于区分不同地区的樟树叶片。此外，本研究为其他药用材料的质量评估提供了一种新方法。