基于UHPLC-Q-Exactive Focus-MS/MS的太白茶化学成分研究

目的 应用超高效液相色谱-四级杆-静电场轨道阱高分辨质谱法(UHPLC-Q-Exactive Focus-MS/MS)对太白茶醇提物进行快速定性研究。方法 采用Waters Acquity UPLC BEH C18(2.1 mm×50 mm,1.7μm)色谱柱，以乙腈(A)-0.1%甲酸水(B)为流动相，梯度洗脱，流速0.3 mL·min^–1，柱温30℃；质谱条件为电喷雾离子源(ESI)，负离子模式扫描，扫描范围m/z 80～1 200。根据高分辨质谱数据分析，参考文献及对照品确认，对太白茶中的化学成分进行快速、全面的定性分析。结果 从太白茶共鉴定出了39种成分，包括多取代单苯环类化合物9种，缩酚酸类11种，缩酚酸环醚类5种，二苯并呋喃类2种，脂肪酸类10种及其他2种。结论 该方法可快速、全面鉴定太白茶中的化学成分，其中3种成分(苔色酸、松萝酸、黑茶渍素)与对照品比对后准确鉴定，19种成分首次在太白茶中发现，可为太白茶药效物质研究及质量评价提供重要依据。

Study on Chemical Constituents in Thamnolia Subuliformis (Ehrh.) W.Culb. by UHPLC-Q-Exactive Focus-MS/MS

OBJECTIVE To conduct a rapid qualitative study on the chemical constituents of the methanol extract in Thamnolia subuliformis (Ehrh.) W.Culb. by UHPLC-Q-Exactive Focus-MS/MS. METHODS The chromatographic separation was performed on a Waters Acquity UPLC BEH C₁₈(2.1 mm×50 mm, 1.7 μm) column with acetonitrile(A)-0.1% formic acid aqueous solution(B) as mobile phase for gradient elution, the flow rate was 0.3 mL·min^–1 and the column temperature was 30 ℃. Mass spectrometry was performed using an electrospray ionization and data was collected in negative ion modes, and the detection range was m/z 80-1 200. The chemical constituents in Thamnolia subuliformis (Ehrh.) W.Culb. were identified rapidly and comprehensively based on the accurate relative molecular and combined with literature data and reference substances. RESULTS A total of 39 chemical constituents were speculatively identified, including 9 mono-substituted phenyl rings, 11 depsides, 5 depsidones, 2 dibenzofuran, 10 lipids, and 2 others. CONCLUSION The chemical constituents in the Thamnolia subuliformis (Ehrh.) W.Culb. can be identified accurately and rapidly by this method. Among them, 3 compounds(β-resorcylic acid, usnic acid, atranorin) are unambiguously identified by comparing with reference standards, 19 compounds are found from Thamnolia subuliformis (Ehrh.) W.Culb. for the first time. This paper can provide the important basis for study on pharmacodynamic material and substitute development of Thamnolia subuliformis (Ehrh.) W.Culb..