目的：研究15批次神农香菊挥发油气相色谱-质谱联用技术（GC-MS）指纹图谱与体外抗氧化能力的关系，为揭示神农香菊抗氧化物质基础提供依据。方法：15批次神农香菊采用水蒸气蒸馏法提取挥发油，并以HP-5MS毛细管柱（50 m×0.2 mm×0.33 μm），程序升温（初始温度为50℃，以5℃·min-1升至145℃，然后再以2℃·min-1升至165℃，最终用20℃·min-1升至250℃，保持5 min）等GC-MS分析条件建立挥发油指纹图谱。对15批次神农香菊挥发油、2，6-二叔丁基-4-甲基苯酚（BHT）及维生素E的体外抗氧化能力进行研究，数据统计分析后，采用灰色关联度分析法研究神农香菊挥发油抗氧化谱效关系。结果：建立15个批次神农香菊挥发油的指纹图谱，确定了15个共有色谱峰，并对共有峰进行了化学成分鉴定；体外抗氧化试验表明清除1，1-二苯基-2-三硝基苯肼（DPPH）能力从强至弱的顺序为BHT、神农香菊挥发油、维生素E，且各个浓度的神农香菊挥发油都对DPPH有清除作用，随着浓度的增加清除率也增大。15个共有色谱峰与抗氧化活性均存在一定的关联度，关联度在0.68~0.79，其中各成分与抗氧化间的关联度大小顺序为甜没药萜醇氧化物、安息香酸苄酯、β-桉叶醇、桉油烯醇、甜没药醇、α-环氧化红没药烯、乙酸氧化芳樟醇酯、金合欢烯、棕榈酸、脱氢芳樟醇、蛇床烯、蛇床烯醇、1.3.3-薄荷属三烯、芳樟醇、p-伞花烃。结论：该文初步探讨了神农香菊挥发油指纹特征峰抗氧化药效的大小，为神农香菊药用物质基础研究、药效评价及质量标准制定提供了科学依据与参考。
Objective: To study the correlation between gas chromatography-mass spectrometry(GC-MS) fingerprint of the essential oil of Shennong Xiangju and the antioxidant activity, so as to provide a reference for revealing its material basis of antioxidant. Methods: Essential oils were extracted from 15 batches of Shennong Xiangju with steam distillation. Fingerprints of the 15 batches of essential oil were established by using GC-MS. An Hp-5 ms capillary column (50 m×0.2 mm×0.33 μm) was used;Temperature was programed as follow:the initial temperature was 50℃,then was raised 145℃ at a speed of 5℃·min-1,then raised 165℃ at a speed of 2℃·min-1,then raised 250℃ at 20℃·min-1,and finally was held for 5 min. The in vitro antioxidant capacity of 15 batches Shennong Xiangju essential oil, butylated hydroxytoluene(2, 6-2 di-tert butyl-4-methyl phenol)and vitamin E was studied, and the correlation between the fingerprint and antioxidant activity was analyzed by grey relational analysis. Results: The fingerprints of 15 batches of Shennong Xiangju volatile oil were set up by GC-MS, and 15 common chromatographic peaks were determined and the chemical composition of the 15 common peaks was identified. With regard to 15 batches of Shennong Xiangju in vitro antioxidant capacity test, we found that the order of clearing ability to 1, 1-diphenyl-2-trinitrobenzene hydrazine(DPPH)was butylated hydroxytoluene, Shennong Xiangju volatile oil, vitamin E. The different concentrations of Shennong Xiangju volatile oil showed a clearing effect on DPPH, and the clearance rate increased with the increase of concentration. The correlation between GCMS fingerprint and the antioxidant activity was from 0.68-0.79, with ranking of(-)-α-bisaboloxide, benzyl benzoate,β-eudesmol, eucalyptus enol,α-bisabolol,α-bisabolene epoxide, linalool oxide acetate, farnesene, n-hexadecanoic acid, hotrienol, selinene, selinenol, 1.3. 3-p-menthatriene, linalool, p-cymene. Conclusion: The study has revealed the order of fingerprint characteristic peaks of Shennong Xiangju essential oil contributing to antioxidant activity,which provided a scientific evidence for the phamacological substance of Shennong Xiangju, and its phamacodynamics and quality control.
