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目的:建立气相色谱-质谱(GC-MS)联用技术的沉香指纹图谱,结合多元统计分析评价甲酸结合不同真菌诱导白木香生产人工沉香品质。方法:采用GC-MS联用技术建立40批沉香指纹图谱,使用《中药指纹图谱相似度评价(2004 A版)》软件建立共有模式,计算图谱相似度,标定共有峰。峰面积归一化法计算170~270 min总峰面积与0~100 min总峰面积两区间的比值。正交偏最小二乘法(OPLS-DA)对样品进行分组,变量权重(VIP)结合相关系数(P(corr))筛选差异性组分。自动质谱退卷积定性系统(AMDIS)结合保留指数(RI)对共有组分和差异组分进行鉴定。结果:10批天然沉香指纹图谱相似度为0.821~0.888,30批人工沉香与天然沉香生成的对照图谱相比相似度在0.307~0.960之间。40批沉香按峰面积比值0.65分为3组:天然沉香、人工沉香1和人工沉香2,且全谱碎片信息、共有组分和差异组分相对峰面积的OPLS-DA分析结果一致。10个共有组分和14个差异组分中,白木香醛等对天然沉香的分组呈正相关;愈创木醇等对人工沉香1分组呈正相关;角鲨烯、5,8-二羟基-2-(2-苯乙基)色酮等对人工沉香2分组呈负相关。结论:指纹图谱相似度、两区间总峰面积比值结合多元统计分析结果,可以快速判断人工诱导沉香品质,为沉香药材的全面质量评价提供参考依据。
OBJECTIVE: To establish a syringin fingerprinting technique using gas chromatography-mass spectrometry (GC-MS) combined with multivariate statistical analysis to evaluate the effect of formic acid and different fungi on the quality of artificial radix bursapulae. Methods: Forty batches of Agkistrodon acutifolia fingerprinting were established by GC-MS technique. The common pattern was established by using the software “Chinese Medicinal Fingerprinting Similarity Evaluation (2004 Version A)” to calculate the similarity of the chromatograms and to calibrate the common peaks. The peak area normalization method was used to calculate the ratio of the total peak area of 170 ~ 270 min to the total peak area of 0 ~ 100 min. The samples were grouped by orthogonal partial least squares (OPLS-DA), and the variance components (VIP) combined with the correlation coefficient (P (corr)) were used to screen the differential components. The automated mass spectrometry deconvolution qualitative system (AMDIS) combined the retention index (RI) to identify the common and differential components. Results: The similarity of 10 fingerprints of natural agar was 0.821 ~ 0.888. The similarity of 30 fingerprints of artificial agar and natural alchemy was 0.307 ~ 0.960. Forty batches of A. officinalis were divided into three groups according to the peak area ratio of 0.65: natural rosin, artificial rosin 1 and artificial rosacea 2, and the results of OPLS-DA analysis of the full spectrum fragment information, common component and relative peak area of the differential component were the same. 10 common components and 14 different components, white aldehyde aldehydes and other groups on the natural rosin was positively correlated; guaiacol and artificial aloes 1 group was positively correlated; squalene, 5,8-dihydroxy-2 - (2-phenethyl) chromone and other artificial incense 2 groups were negatively correlated. Conclusion: The similarities of fingerprints, the ratio of the total area of two regions and the results of multivariate statistical analysis can be used to quickly judge the quality of artificial incense and provide a reference for the comprehensive quality evaluation of medicinal materials.