目的 基于高效液相色譜–四級桿/靜電場軌道阱高分辨質譜（HPLC-Q-Exactive-MS）技術對巴特日七味丸中化學成分分析鑒定。方法 使用Agilent Zorbax SB-Aq色譜柱（150 mm×4.6 mm，5 μm），流動相為甲醇–0.1%甲酸水溶液，梯度洗脫，體積流量為0.35 mL/min，柱溫為35 ℃，進樣量為10 μL。采用電噴霧離子源（ESI），檢測方式：Full MS/dd-MS²，F(xiàn)ull MS分辨率：70 000，dd-MS²分辨率：17 500，掃描范圍：m/z 110～1 200。噴霧電壓：3.80 kV（＋）、3.20 kV（-），碰撞能量：30 eV，離子傳輸管溫度：300 ℃（＋）、400 ℃（-），輔助氣體積流量：30 L/min，輔助氣溫度：350 ℃。利用Thermo Xcalibur 3.0軟件對在正、負離子模式下獲得的總離子流數(shù)據(jù)進行處理，以各成分保留時間、元素組成、多級質譜碎片信息、與部分對照品比對做進一步確認。結果 共鑒定出81個化學成分，包括29個生物堿類成分、16個黃酮類成分、12個有機酸類成分、9個沒食子酸酯類成分、5個倍半萜類成分、3個鞣質類成分、4個脂肪酸類成分、3個氨基酸類成分，其中10個成分經與對照品比對得到進一步確證。并考察了槲皮素、新烏頭原堿、莽草酸、沒食子酰葡萄糖、克里拉京、去氫木香內酯、L-脯氨酸、亞油酸的MS²圖和可能的裂解途徑。結論 HPLC-Q-Exactive-MS技術可對巴特日七味丸中成分進行了快速、全面的定性分析，為巴特日七味丸的藥效物質研究提供參考。

Objective To analyze and identify the chemical constituents in Bateri Qiwei Pills based on HPLC-Q-Exactive-MS. Methods The separation was performed on Agilent Zorbax SB-Aq column (150 mm × 4.6 mm, 5 μm) with the mobile phase of methanol - 0.1% formic acid aqueous solution by gradient elution. The flow rate was 0.35 mL/min, column temperature was 35 ℃, and the volume of sample injection was 10 μL. Electrospray ionization (ESI) was used. The detection mode was Full MS/dd MS², the resolution of Full MS was 70 000, the resolution of dd-MS² was 17 500, and the scanning range was m/z 110 — 1 200. Spray voltage was 3.80 kV (+) and 3.20 kV (-), collision energy was 30 eV, ion transfer tube temperature was 300 ℃ (+) and 400 ℃ (-), auxiliary gas volume flow was 30 L/min, and auxiliary gas temperature was 350 ℃. Total ion flow data obtained in both positive and negative ion modes were analyzed by Thermo XCalibur 3.0 software, and further confirms were carried on by retention time of each component, elemental composition, multi-level mass spectrometry fragment information, with comparison with some reference materials. Results A total of 81 components were identified in Bateri Qiwei Pills, including 29 alkaloids, 16 flavonoids, 12 organic acids, 9 gallate esterss, 5 sesquiterpenoids, 3 tannins, 4 fatty acids, and 3 amino acids. And 10 components were further confirmed by comparison with the reference substance. MS² and possible fragmentation pathway of quercetin, neoaconitine, shikimic acid, gallic acid glucose, krillin, dehydroandrolactone, L-proline, and linoleic acid were investigated. Conclusion HPLC-Q-Exactive-MS method could be used to quickly identify the chemical components in Bateri Qiwei Pills, providing reference for its study of pharmacological substances.

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國家自然科學基金資助項目（82360801）；內蒙古自治區(qū)自然科學基金資助項目（2022LHQN08001）；內蒙古自治區(qū)高等學?？茖W研究項目（NJZY22655）