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目的:采用液相色谱,结合四极杆飞行时间串联质谱(QTOF/MS)和离子阱质谱(IT/MS)2种质谱检测器,分析鉴定中药紫苏水煎液中的主要化学成分。方法:色谱柱为Zorbax SB-C18RRHD柱(4.6 mm×50 mm,1.8μm),以0.05%甲酸水溶液-乙腈为流动相,梯度洗脱,流速为0.5 m L·min-1,柱温30℃,进样体积10μL;采用QTOF获取化合物的分子式,并用数据依赖扫描辨别质核比接近的离子碎片;结合IT/MS的多级质谱分析推断可能的结构并验证鉴定结果。结果:通过联合使用2种不同原理的质谱仪并参照数据库和文献资料从紫苏水煎液中鉴定了27个化合物,包括9个黄酮及其苷类成分,10个有机酸类成分,5个氨基酸、2个缩氨酸和1个核苷,其中4个成分经由对照品比对确证。结论:该方法通过联合使用QTOF/MS和IT/MS,为化合物的快速解析提供了更多数据,提高了分析的速度和准确性,为中药复杂组分的分析提供了一种可行的方法。
OBJECTIVE: To analyze and identify the main chemical constituents in the decoction of Perilla frutescens by liquid chromatography coupled with quadrupole time of flight tandem mass spectrometry (QTOF / MS) and ion trap mass spectrometry (IT / MS). METHODS: The column was a Zorbax SB-C18RRHD column (4.6 mm × 50 mm, 1.8 μm) with gradient elution with 0.05% formic acid in acetonitrile as mobile phase at a flow rate of 0.5 mL · min-1 and a column temperature of 30 ℃ , And the injection volume was 10 μL. The molecular formula of compound was obtained by QTOF, and the mass ratio of proton to nuclear was identified by data-dependent scanning. The possible structure was deduced by multistage mass spectrometry (IT / MS) and the identification results were verified. Results: 27 compounds were identified from the decoction of Perilla frutescens by combining two different types of mass spectrometers and referring to the database and literature data, including 9 flavonoids and their glycosides, 10 organic acids and 5 Amino acids, two peptides and one nucleoside, four of which are confirmed by comparison with the control. Conclusion: This method provides more data for the rapid resolution of compounds by using QTOF / MS together with IT / MS, which improves the speed and accuracy of the analysis and provides a feasible method for the analysis of complex components of traditional Chinese medicine.