HS-SPME-GC-MS分析结合主成分分析技术在白芷挥发油中的应用研究

Application of HS-SPME-GC-MS Analysis Combined with Principal Component Analysis(PCA)in Volatile Oil of Baizhi(Angelica dahurica)

目的探究HS-SPME-GC-MS分析结合主成分分析(PCA)技术在白芷挥发油中的应用。方法对白芷块茎、根茎采用气相色谱质谱联用法分析其组成,并应用面积归一化法计算各成分的相对含量,予以PCA技术对结果进行验证。结果应用色谱峰面积归一化法计算以获得各化学成分相对百分含量。从选择白芷样本的块茎、根茎部位挥发油获得率分别为6.1%以及7.5%。选择的块茎、块根部位内挥发油在种类以及含量上存在差异性,并鉴定出68种化合物,其中块茎获得化合物共51个,占总量75.00%,从根茎中鉴定59种化合物,占挥发油总量86.76%,白芷块茎、根茎2个不同部位化合物占比不同,其中以十二(烷)醇、邻苯二甲酸二异辛酯、十六碳酸含量最大,α-蒎烯、α-新丁香三环烯、杜松三烯、月桂醇醋酸酯、τ-木罗醇、环十二碳烷、5,8,1-十七碳三烯醇、十八(烷)醇、十六(烷)醇、十六碳酸、十四碳醛、邻苯二甲酸二异辛酯、十八碳二烯酸甘油三酯、十二(烷)醇等均存在较大差异。PCA分析亦进一步验证了其异同。结论白芷不同部位的挥发油种类及所占比均存在差异,可为白芷开发及质量控制提供了重要依据。

Objective To explore the application of headspace solid phase microextraction(HS-SPME)-gas chromatography(GC)-mass spectrometry(MS)analysis combined with principal component analysis(PCA)in the volatile oil of Baizhi(Angeli-ca dahurica).Methods The tubers and roots of Baizhi(Angelica dahurica)were analyzed by GC-MS,and the relative contents of each component were calculated by area normalization method,and the results were verified by PCA.Results The chromatographic peak area normalization method was used to calculate the relative content of each chemical component.The volatile oil obtained from the tuber and root parts of Baizhi(Angelica dahurica)samples were 6.1%and 7.5%,respectively.There were differences in the types and contents of volatile oil in the selected tubers and roots,and 68 compounds were identified,among which 51 com-pounds were obtained from tubers,accounting for 75.00%of the total amount,and 59 compounds were identified from roots,ac-counting for 86.76%of the total amount.The proportion of compounds in the two different parts of Baizhi(Angelica dahurica)was different.Among them,dodecanol,diisooctyl phthalate and hexadecaronic acid were the most abundant,α-pinene,α-neoclove tricycloene,juniper triene,lauryl acetate,τ-xylol,cyclododecarane,5,8,1-heptadecarbotrienol,octadecarbotrienol,hexadecar-botrienol,hexadecarbocarbonate,tetradecarboaldehyde,diisoctyl phthalate,triglyceride octadecarbodienoate,dodecarbotrienol and so on have great differences.PCA analysis also further verified the similarities and differences.Conclusion The essential oil spe-cies and proportion of Baizhi(Angelica dahurica)are different in different parts,which can provide an important basis for the de-velopment and quality control of Baizhi(Angelica dahurica).