目的 采用超高效液相色譜-四級(jí)桿飛行時(shí)間質(zhì)譜（UPLC-Q-TOF/HRMS^E）對(duì)小陷胸湯的化學(xué)成分進(jìn)行研究。方法 色譜柱使用Waters ACQUITY UPLC BEH C18色譜柱（2.1 mm×100 mm，1.8 μm），流動(dòng)相使用0.1%甲酸水-0.1%甲酸乙腈進(jìn)行梯度洗脫，柱溫為35℃，體積流量為0.3 mL/min，采用電噴霧電離源ESI，在正、負(fù)離子模式下分別進(jìn)行質(zhì)譜檢測(cè)分析。結(jié)果 根據(jù)化合物精確分子量及質(zhì)譜裂解二級(jí)碎片離子，結(jié)合相關(guān)文獻(xiàn)及UNIFI 1.8軟件對(duì)小陷胸湯進(jìn)UPLC-Q-TOF/HRMS^E分析，共鑒定得到99個(gè)化學(xué)成分，正離子模式下55種，負(fù)離子模式下44種，初步定性63個(gè)化學(xué)成分，分別為有機(jī)酸類(lèi)23個(gè)，姜辣素類(lèi)（含姜酮、姜二酮、姜油酮、姜酚、姜烯酚）共9個(gè)，黃酮類(lèi)共8個(gè)，生物堿類(lèi)6個(gè)，木脂素類(lèi)共8個(gè)，氨基酸類(lèi)3個(gè)，核苷類(lèi)3個(gè)，其他類(lèi)型3個(gè)。結(jié)論 該方法快速、準(zhǔn)確、便捷，為小陷胸湯藥效物質(zhì)基礎(chǔ)及代謝過(guò)程的深入研究奠定了基礎(chǔ)，也為其進(jìn)行質(zhì)量控制提供了參考。

Objective To qualitatively analyze the chemical constituents of Xiaoxianxiong Decoction by Ultra Performance Liquid Chromatography-Quadrupole Time-Of-Flight Mass Spectrometry(UPLC-Q-TOF/HRMS^E). Method A Waters ACQUITY UPLC BEH C 18 column (2.1 mm×100 mm, 1.8 μm) was used to perform gradient elution with 0.1% Formic acid-water and 0.1% formic acid-acetonitrile as the mobile phase. Column temperature was 35℃ and the flow rate was 0.3 mL/min. ElectroSpray Ionization Source(ESI) was used to conduct mass spectrometry analysis in positive and negative ion modes. Results According to the precise molecular weight and secondary fragment ions of the compound, combined with the relevant literature and UNIFI 1.8 software, 99 chemical components were identified and 63 were preliminarily determined by UPLC-Q-TOF/HRMS^E analysis of Xiaoxianxiong Decoction. There were 23 Organic acids, 9 Gingerols(including Gingerone, Gingerdione, Zingerone, Gingerol, Shogaol), 8 Flavonoids, 6 Alkaloids, 8 Lignans, 3 Amino acids, 3 Nucleosides, and 3 other types. Conclusion This method is fast, accurate and convenient, which lays a foundation for in-depth study on the pharmacodynamic substance and metabolic process of Xiaoxianxiong Decoction, and provides a reference for its quality control.

R917

國(guó)家自然科學(xué)基金（8177141422）