中文摘要：

在建立金匮肾气丸的指纹图谱的基础上,采用紫外光谱-质谱/质谱联用的方法鉴别了主要指纹峰的化学结构。采用Symmetry ShieldTM RP18（5μm,4.6mm×15mm）色谱柱,乙腈-1%冰醋酸梯度洗脱,流速1.0mL·min-^1,检测波长248nm的色谱条件建立不同样品的指纹图谱,确定不同样品的共有指纹峰。不同样品之间的相似度使用国家药典委员会开发的中药色谱指纹图谱相似度评价系统研究版（2004A）计算。质谱仪所用离子源为大气压电喷雾电离源（ESI）,柱后分流0.5mL·min^-1,雾化气压力：0.33 MPa;干燥气流速9.0L.min^-1;毛细管电压4kV;传输电压70V。选择负离子扫描方式,扫描范围（m/z）100～2000,再利用离子阱对准分子离子峰及选定的碎片离子进行二级质谱（MS2）分析,记录总离子流（TIC）色谱图及二级质谱图。结果显示,金匮肾气丸的主要成分得到较好的分离,不同样品相比相似度有所差异,但均具有相同的色谱特征峰,共标定出19个指纹峰。根据标准品的保留时间和紫外光谱图,鉴别出马钱苷、桂皮醛、丹皮酚三个指纹峰的化学成分。根据紫外光谱-质谱/质谱多维联用技术获得的各指纹峰的分子量及结构信息,进一步推测出1,2,3,3-O-没食子酰葡萄糖、马钱苷、芍药苷、1,2,3,6,4-O-没食子酰葡萄糖、大豆脑苷、山茱萸裂苷、五没食子酰葡萄糖苷、苯甲酰羟基芍药苷等10个指纹峰的可能化学成分。所建立的金匮肾气丸指纹图谱特征性强、重现性较好,信息量丰富,对金匮肾气丸的化学表征及质量评价有重要的参考价值。

英文摘要：

On the base of establishing the fingerprint of JinKui ShenQi pills, the ultraviolet spectra-mass spectrometry/mass spectrometry, method was used to identify the fingerprint. Seperatlon was performed on the Symmetry ShieldTM RP18 （5μm, 4. 6 mm× 15 mm） analytical column with mobile phase consisting of 1% acetic acid and acetonitrile with gradient elute at the flow rate of 1.0 mL · min^-1 , and the ultraviolet detection wavelength was set at 248 nrn. Using the above-mentioned chromatographic condition, the fingerprint of different samples was established and the same fingerprint was defined. The fingerprints of different samples were compared with similarity evaluation software published by Pharmacopeia committee codex （2004A）. The mass spectrograph with API-ESI ionization source was used, setting the flow rate at 0. 5 mL · min^-1 after splitting stream. The pressure of atomization room was 50 Psi, the flow rate of dry gas was 9.0 L · min^-1 , the capillary voltage was 4 kV, and the transmission voltage was 70 V. The negative scanner mode was chosen, scan scope was 100-2 000, using ion trap to analyze quasimolecular ion peak and the selected fragment ion, and TIC chromatography and second order mass chromatogram were recorded. The major constituents among in JinKui ShenQi pills from different origins were separated well by HPLC. Although there was difference among different origins, they showed nineteen identical characteristic absorption bands. Three fingerprints chemical compositions such as loganin, cinnamal and paeonol were identified based on the retention time and ultraviolet spectra of standard preparation. According to their ultraviolet spectra, molecularweight and fragmentation information, ten peaks in the fingerprint were identified by ultraviolet spectroscopy-mass, spectrometry/massg spectrometry. They are 1,2,3-tri-O-galloyl-glucose, loganin, paeoniflorin, 1,2,3,6-tetro-O-galloyl-glucose, soya-cerebroside, cornuside, and PGG, benzoyl-oxypaeoniflorin. The result showed that the presented fin