水飞蓟素胶囊化学成分的UPLC-Q-TOF-MS快速鉴定与分析

目的：通过超高效液相色谱-四级杆-飞行时间串联质谱法（UPLC-Q-TOF-MS）技术定性分析水飞蓟素胶囊中的化学成分。方法：采用Waters XBridge BEH C₁₈色谱柱（100 mm×2.1 mm，2.5 μm），以0.1%甲酸水-甲醇梯度洗脱，体积流量0.3 mL·min^-1；进样量3 μL。质谱采用电喷雾离子源（ESI），正负离子模式下同时采集，通过精确质量数、二级质谱碎片信息和保留时间，参照文献和对照品对化合物进行鉴定。结果：结合参考文献和对照品信息，共鉴定化合物15个，包括二氢黄酮化合物1个，黄酮醇化合物2个，二氢黄酮醇化合物3个，黄酮木脂素类9个。结论：建立了UPLC-Q-TOF-MS法对水飞蓟素胶囊的成分进行定性分析，为其质量控制及药效机制的阐明提供科学依据。

Quick identification and analysis of chemical constituents in silymarin capsules by UPLC-Q-TOF-MS

OBJECTIVE To identify chemical constituents in silymarin capsules by UPLC-Q-TOF-MS.METHODS The separation of silymarin capsules was performed on an Waters XBridge BEH C₁₈ column (100 mm×2.1 mm, 2.5 μm) using the mobile phase consisted of methanol (B) and 0.1% formic acid (A) with gradient elution. The flow rate was 0.3 mL·min^-1, the injection volume was 3 μL. Electrospray ion (ESI) source was applied for the analysis under the negative and positive ion modes.RESULTS Based on the reference and MS/MS of standards, fifteen compounds from silymarin capsules had been identified.CONCLUSION UPLC/Q-TOF-MS method can identify the main chemical constituents from silymarin capsules, providing a scientific basis for its quality control and the elucidation of its mechanism.