UHPLC-Q-TOF-MS in analyzing chemical constituents of traditional Chinese herbal preparation Babao Dan
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Department of Pharmacy,Eastern Hepatobiliary Surgery Hospital,Second Military Medical University,Shanghai,Department of Pharmacy,Eastern Hepatobiliary Surgery Hospital,Second Military Medical University,Shanghai,Central Research Institute of Shanghai Pharmaceutical Group Co,Ltd,Central Research Institute of Shanghai Pharmaceutical Group Co,Ltd,Central Research Institute of Shanghai Pharmaceutical Group Co,Ltd,School of Pharmacy,Second Military Medical University,Shanghai,Department of Pharmacy,Eastern Hepatobiliary Surgery Hospital,Second Military Medical University,Shanghai,Department of Pharmacy,Eastern Hepatobiliary Surgery Hospital,Second Military Medical University,Shanghai,;;Central Research Institute of Shanghai Pharmaceutical Group Co,Ltd;School of Pharmacy,Second Military Medical University,Shanghai

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Supported by Combination Project of Industry, University, Research and Medicine of Shanghai Science and Technology Commission (15DZ1900102).

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    Abstract:

    Objective To rapidly identify the chemical components in a traditional Chinese compound herbal preparation Babao Dan by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF/MS). Methods A formula database including 547 compounds was developed by Agilent software "Formula-Database Generator". The total ion chromatograms of the Babao Dan extracts were obtained by UHPLC-Q-TOF/MS, and the chemical components were identified by automatic matching method according to the exact mass-to-charge ratio of each chemical component. The chemical components of Babao Dan was further verified using the secondary fragment ion obtained by adjusting the secondary monitor voltage of Q-TOF/MS. The separation was performed on a Waters Xbridge BEH C18 column (2.1 mm×100 mm, 2.5 μm). The mobile phase composing of acetonitrile (A) and 0.5% formic acid aqueous solution (B) was used for gradient eluting (0-5 min, 5% A; 5-25 min, 5%-95% A; 25-30 min, 95% A). The temperature of column was 25℃; the flowing rate was 0.8 mL/min; and the post-column split ratio was 2:1. The Q-TOF/MS and electro spray ion source (ESI) were applied for qualitative analysis under positive and negative ion mode, with the mass scan range being m/z 100-1 500. The capillary voltage was 3 500 V under positive ion mode and 4 000 V under negative ion mode, and the range of collision energy of MS2 was 10-40 eV. Results UHPLC-Q-TOF-MS identified a total of 78 chemical components from Babao Dan, including saponins, bile acids, amino acids and so on. Conclusion A rapid and efficient method for identifying the chemical components of Babao Dan by UHPLC-Q-TOF-MS has been established, and the chemical components of Babao Dan has been clarified, which lays a foundation for the quality control and further pharmacological study of Babao Dan.

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History
  • Received:June 22,2016
  • Revised:September 23,2016
  • Adopted:November 01,2016
  • Online: December 23,2016
  • Published:
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