目的 采用超高效液相色譜-四級桿-飛行時間質(zhì)譜（UPLC-Q-TOF/HRMS^E）技術(shù)對活血解毒方中的化學成分進行研究。方法 采用ACQUITY UPLC BEH C₁₈色譜柱（100 mm×2.1 mm，1.8 μm），以0.1%甲酸溶液（A）和0.1%甲酸乙腈（B）作為流動相進行梯度洗脫，體積流量為0.3 mL/min，采用ESI源在正、負離子模式下采集數(shù)據(jù)。根據(jù)化合物精確相對分子質(zhì)量及二級特征碎片離子信息，結(jié)合參考文獻數(shù)據(jù)與UNIFI數(shù)據(jù)庫，鑒定活血解毒方的主要化學成分。結(jié)果 從活血解毒方中鑒定出66個化學成分，其中黃酮類化合物8個、生物堿類化合物7個、酚類化合物6個、皂苷類化合物30個、木質(zhì)素類化合物6個、萜類化合物4個和其他類化合物5個。結(jié)論 建立的UPLC-Q-TOF/HRMS^E聯(lián)用技術(shù)與UNIFI結(jié)合法能夠系統(tǒng)、快速、準確地鑒定多種化學成分，為其質(zhì)量評價指標選擇及藥效物質(zhì)基礎(chǔ)深入研究提供了參考。

Objective The chemical constituents of Huoxue Jiedu Decoction were studied by ultra-high performance liquid chromatography-four-stage rod-time-of-flight mass spectrometry (UPLC-Q-TOF/HRMS^E). Method ACQUITY UPLC BEH C₁₈ column (100 mm×2.1 mm, 1.8 μm) was used for gradient elution with 0.1% formic acid aqueous solution (A) and 0.1% acetonitrile formate (B) as mobile phases. The volume flow rate was 0.3 mL/min. ESI source was used to collect data in positive and negative ion modes. According to the precise relative molecular weight and secondary fragment ion information of compounds, the main chemical constituents of Huoxue Jiedu Formula were identified with reference data and UNIFI database. Results Sixty-six chemical constituents were identified from Huoxue Jiedu Recipe, including eight flavonoids, seven alkaloids, six phenolics, 30 saponins, six lignins, four terpenoids and five other compounds. Conclusion The established UPLC-Q-TOF/HRMS^E combined with UNIFI method can identify a variety of chemical components systematically, quickly and accurately, which provides a reference for the selection of quality evaluation indexes and in-depth study of the material basis of its efficacy.

R284.1

國家自然科學基金資助項目（81774014）