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首页> 美国卫生研究院文献>International Journal of Molecular Sciences >Analysis of 2-(2-Phenylethyl)chromones by UPLC-ESI-QTOF-MS and Multivariate Statistical Methods in Wild and Cultivated Agarwood
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Analysis of 2-(2-Phenylethyl)chromones by UPLC-ESI-QTOF-MS and Multivariate Statistical Methods in Wild and Cultivated Agarwood

机译：利用UPLC-ESI-QTOF-MS和多元统计方法分析野生和栽培沉香木中的2-（2-苯基乙基）色酮

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摘要

Agarwood is the fragrant resinous material mainly formed from species of Aquilaria. 2-(2-phenylethyl)chromones, especially the highly oxidized 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones, are the main representative compounds from agarwood. It is important to determine whether agarwood in trade is from cultivated trees or natural trees in the Convention on the International Trade in Endangered Species (CITES). We characterized the 2-(2-phenylethyl)chromones in agarwood by ultra-performance liquid chromatography coupled with electrospray ionization mass spectrometry (UPLC–ESI-QTOF-MS) and differentiated wild from cultivated agarwood by metabolomic analysis. A total of 141 chromones including 50 potentially new compounds were evaluated as belonging to four structural classes (unoxidized 2-(2-phenylethyl)chromones, 5,6,7,8-tetrahydro-2-(2-phenylethyl)-chromones, bi-2-(2-phenylethyl)chromones, and tri-2-(2-phenylethyl)chromones). The metabolic difference between wild and cultivated agarwood was analyzed by component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Fourteen markers of metabolisms in wild and cultivated agarwood were constructed (e.g., 6,7-dimethoxy-2-(2-phenylethyl)chromone, 6,8-dihydroxy-2-(2-phenylethyl)chromone, 6-methoxy-2-(2-phenylethyl)chromone, etc.). These results indicated that UPLC–ESI-QTOF-MS-based metabonomics analysis in agarwood may be useful for distinguishing wild agarwood from cultivated agarwood.
机译：沉香是主要由沉香树种形成的芳香树脂材料。 2-（2-苯基乙基）色酮，特别是高度氧化的5,6,7,8-四氢-2-（2-苯基乙基）色酮是沉香的主要代表化合物。在《濒危物种国际贸易公约》（CITES）中确定贸易中的沉香木是来自栽培树木还是天然树木是很重要的。我们通过超高效液相色谱结合电喷雾电离质谱（UPLC-ESI-QTOF-MS）对沉香木中的2-（2-苯乙基）色酮进行了表征，并通过代谢组学分析将其与栽培沉香木进行了区分。总共141个色酮包括50个潜在的新化合物被评估为属于四个结构类别（未氧化的2-（2-苯乙基）色酮，5,6,7,8-四氢-2-（2-苯乙基）色酮，双-2-（2-苯乙基）色酮和三-2-（2-苯乙基）色酮）。通过成分分析（PCA）和正交偏最小二乘判别分析（OPLS-DA）分析了野生沉香和栽培沉香木之间的代谢差异。构造了十四种野生和栽培沉香中新陈代谢的标记物（例如6,7-二甲氧基-2-（2-苯乙基）色酮，6,8-二羟基-2-（2-苯乙基）色酮，6-甲氧基-2- （2-苯乙基）色酮等。这些结果表明，在沉香中基于UPLC–ESI-QTOF-MS的代谢组学分析可能有助于区分野生沉香和栽培沉香。

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