基于植物代谢组学的栽培型与野生型野菊花的化学成分比较及定量分析

目的：研究栽培型与野生型野菊花药材之间的化学成分差异。方法：采用超高效液相色谱-四极杆-飞行时间质谱（UPLC-Q-TOF/MS）技术，结合化学计量学，对栽培型和野生型野菊花药材的整体化学组成进行比较，并采用超高效液相对其中的主要差异成分进行定量分析。结果：主成分分析结果显示，栽培与野生型野菊花在t[1]主成分方向区分明显，表明两者的化学组成存在显著差异。随后采用正交偏最小二乘法判别分析（OPLS-DA）方法筛选和鉴定两者的差异成分，结果显示，香叶木素-7-O-芸香苷、刺槐素-7-O-（6″-O-α-L-鼠李吡喃糖-β-槐糖苷）、木犀草素、蒙花苷、5-羟基-4′-甲氧基-黄酮-7-O-α-L-吡喃鼠李糖（1→6）[2-O-乙酰-β-D-吡喃葡萄糖（1→2）]-β-D吡喃葡萄糖苷、芹菜素、3，5-二咖啡酰奎宁酸、4，5-二咖啡酰奎宁酸和刺槐素含量在两者间存在显著性差异，可以作为区分栽培型和野生型野菊花的特征性成分。结论：植物代谢组学技术能快速筛选特征性化学成分，为野菊花的质量评价提供有效手段。

Objective: To study the chemical component difference of cultivated and wild type Flos Chrysanthemi Indici. Methods: An integrated strategy using ultra performance liquid chromatography coupled with tandem quadrupole time-of-flight mass spectrometry and the chemometric approach was applied to compare the global chemical profile of cultivated and wild type Flos Chrysanthemi Indici, then the main differential ingredients were quantified by ultra performance liquid chromatography. Results: Principal component analysis(PCA)showed that wild and cultivated type Flos Chrysanthemi Indici could be separated clearly on principal component t[1] direction, suggesting a great chemical difference between wild and cultivated type Flos Chrysanthemi Indici. Supervised orthogonal partial least squares discriminant analysis(OPLS-DA)was applied to screen and identify the differential ingredients between wild and cultivated type Flos Chrysanthemi Indici. As a result, the content of nine ingredients including diosmetin-7-O-rutinoside, acacetin-7-O-(6″-O-α-L-rhamnopyranosyl-β-sophoroside), luteolin, linarin, 5-hydroxy-4′-methoxy-flavone-7-O-α-L-rhamnopyranosyl(1→6)[2-O-acetyl-β-D-glucopyranosyl(1→2)]-β-D-glucopyranoside, apigenin, 3, 5-dicaffeoylquinic acid, 4, 5-dicaffeoylquinic acid and acacetin showed a significant difference between cultivated and wild types, which could be considered as characteristic chemical markers for distinguishing cultivated Flos Chrysanthemi Indici from wild type. Conclusion: Plant metabolomics-based approach is in on effective method to screen characteristic chemical markers for quality evaluation of Flos Chrysanthemi Indici.