基于1H-NMR结合GC-MS评价沉香挥发油品质

    Quality Evaluation of Agarwood Volatile Oil by 1H-NMR Combined with GC-MS

    • 摘要: 目的 分析不同树种来源的国产和进口沉香,经水蒸气蒸馏法制取挥发油前后化学组成的变化规律,评价沉香挥发油品质。方法 建立1H-NMR指纹图谱,通过化学位移等信息指认代谢物,1H-NMR图谱分段积分后以峰面积为变量进行化学模式识别。建立GC-MS指纹图谱,鉴定并通过峰面积归一法确定各化学成分及其相对含量,以GC-MS全谱碎片信息为变量进行化学模式识别。结果 沉香挥发油及其原药材1H-NMR指纹图谱分别指认24,20个代谢产物,GC-MS指纹图谱分别检出64,112个代谢产物,均按树种来源分为国产和进口2类。沉香原药材经水蒸气蒸馏提取挥发油后,倍半萜类成分相对含量上升,α-愈创木烯、沉香螺醇对沉香挥发油的分组贡献大,茅苍术醇、苄基丙酮、γ-蛇床烯对沉香挥发油的分组贡献小。结论 同一提取工艺条件下,沉香原药材树种来源可影响其挥发油品质,国产和进口沉香挥发油的质量标志物可为其品质评价提供基础数据。

       

      Abstract: OBJECTIVE To analyze the domestic and imported agarwood from different tree species, and the change in chemical composition before and after the volatile oil was prepared by steam distillation. To evaluate the quality of agarwood volatile oil. METHODS The 1H-NMR fingerprint was established, and the metabolites were identified by chemical shift information, and the chemical pattern recognition was carried out by using the peak area after subsection integration of 1H-NMR as a variable. The GC-MS fingerprint was established, and the chemical components and their relative contents were identified by peak area normalization method. Chemical pattern recognition was carried out by using GC-MS full spectrum fragment information as variables. RESULTS Twenty-four and twenty metabolites were calibrated with 1H-NMR fingerprints of agarwood volatile oil and its raw material respectively. The GC-MS fingerprints of agarwood volatile oil and its raw material identified 64 and 112 metabolites, respectively, and both classified into domestic and imported species according to the origin. The relative contents of sesquiterpenoids increased after the agarwood volatile oil was extracted by steam distillation. Agarospirol and a-guaiene contributed more to the grouping of agarwood volatile oil, but hinesol, 4-phenyl-2-butanone, and γ-selinene contributed little. CONCLUSION For the same extraction conditions, the quality of agarwood volatile oil is effected to its original tree species. The quality markers of domestic and imported agarwood volatile oil can provide basic data for its quality evaluation.

       

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