目的 无歧视分析白术药材的整体化学成分，探究不同产地白术药材在化学成分上的差异。方法 采用超高效液相色谱-四极杆飞行时间串联质谱（UPLC-Q-TOF-MS^E）对不同产地白术药材进行化学成分分析。应用主成分分析（principal component analysis，PCA）、正交偏最小二乘法-判别分析（orthogonal partial least squares discriminant analysis，OPLS-DA）对河北、安徽、浙江3个产区白术药材进行多元统计分析并结合方差分析筛选不同产地白术药材主要的差异化学成分。结果 共鉴定出53个化学成分，包括21个萜类、11个有机酸类、3个氨基酸类、3个糖苷类以及15个其他类成分。表征出21个差异化学成分，包括3个特有成分及18个共有差异成分，其中河北安国白术的特有成分为9,10-环氧-12(Z)-十八碳烯酸，且腺苷、6,9-二羟基-3,3a-二氢白术内酯III、furan sesquiterpene、白术内酯I、白术内酯II、双白术内酯的含量最高。安徽亳州白术的特有成分为L-异亮氨酸，且新绿原酸、7-羟基香豆素、绿原酸、咖啡酸的含量最高。浙江磐安白术的特有成分为白术内酰胺，且尿苷、L-缬氨酸、8,9-epoxy atracolactone、4,6-二羟基-3,3a-二氢白术内酯III、白术内酯III、芹子二烯酮、3β-乙酰氧基苍术酮、棕榈酸含量最高。结论 不同产地白术化学成分差异明显，各产地的特有成分可作为产地区分的依据，21个差异化学成分可为不同产地白术质量评价提供依据，同时也为白术的开发利用提供了参考。

Objective The global chemical components of Atractylodes macrocephala were analyzed without discrimination to explore the differences in chemical components among A. macrocephala from different origins. Methods The chemical constituents of A. macrocephala from different regions were analyzed by ultra-high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS^E). Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were used to multivariate statistical analysis of A. macrocephala from Hebei, Anhui, and Zhejiang, and the main differential chemical components of A. macrocephala from different regions were screebed by variance analysis. Results A total of 53 chemical components were identified, including 21 terpenoids, 10 organic acids, three amino acids, three glycosides, and 15 other components. A total of 21 differential chemical components were characterized, including three unique components and 18 common differential components. 9,10-epoxy-12(Z)-octaenoic acid is a specific component of Anguo in Hebei, L-isoleucine is a unique component of Bozhou in Anhui, and atractylodes lactam is a special component of Panan in Zhejiang. The contents of adenosine, 6,9-dihydroxy-3,3a-dihydroatractylenolide III, furan sesquiterpene, atractylenolide I, atractylenolide II, and biatractylolide were the highest in Anguo. The contents of neochlorogenic acid, 7-hydroxycoumarin, chlorogenic acid, and caffeic acid are the highest in Bozhou. The contents of uridine, L-valine, 8,9-epoxy atracolactone, 4,6-dihydroxy-3,3a-dihydroatractylenolide III, atractylenolide III, aceradienone, 3β-acetoxyatractyloketone, and palmitic acid were the highest in Panan. Conclusion The chemical components of different origins were significantly different. The unique components from each origin could serve as the basis for distinguishing origins, and the 21 differential chemical components could be used as the basis for quality evaluation of A. macrocephala from different origins, as well as provide a reference for the development and utilization of A. macrocephala.

国家自然科学基金重点项目（81830110）；黑龙江省重点研发计划项目（2022ZX02C04）