桑杏汤的全成分飞行时间质谱分析及主要化学成分的鉴定

The major constituents of Sangxing Decoction by HPLC-HR-TOF /MS

目的采用高效液相-高分辨飞行时间质谱(HPLC-HR-TOF/MS)对桑杏汤水煎液中的化学成分进行初步分析。方法采用Welchrom-C18(5μm,4.6 mm×250 mm)色谱柱,以乙腈和水(均含0.1%甲酸)为流动相,梯度洗脱,体积流量为1 mL/min,ESI-TOF-MS正负离子Auto MSn采集模式。通过HPLC-TOF-MS所得到的化合物相对分子质量以及MS/MS CID碰撞解离碎片,结合文献报道,对桑杏汤水煎液的主要化学成分进行分析鉴定。结果通过色谱分离得到了复方中的36个主要化学成分,质谱初步鉴定其中31个成分。结论本方法可以快速地对复方主要化学成分进行初步的定性,有益于探究复方的作用机制及其质量控制。

AIM To study the major constituents in Sangxing Decoction by HPLC/Q-TOF-MS.METHODS The HPLC analysis was performed on Welchrom-C18 （5 μm,4.6 mm ×250 mm） with a flow rate of 1 mL/min in a gradient elution manner.Mobile phase consisted of acetonitrile-formic acid （99.9 ∶ 0.1,V/V） and water-formic acid （99.9 ∶ 0.1,V/V）.HR-MS/MS analysis was carried out using a MicroTOF-Q Ⅱ Focus mass spectrometer fitted with an ESI source operating in Auto-MSn mode to obtain fragment ion.TIC chemical profiles of the extract were established in both positive and negative modes.The structures of known constituents in Sangxing Decoction were identified by comparing their retention time,molecular weight and CID fragmentation patterns with their corresponding compounds reported in the literature.RESULTS A total of thirty-six constituents were simultaneously detected in HPLC,thirty-one of which were identified by Q-TOF-MS.CONCLUSION The results suggest that the method could be applied to quick analysis of Chinese herbal decoction and beneficial to their mechanism and quality control.