Fast Characterization of Constituents in HuangKui Capsules Using UPLC-QTOF-MS with Collision Energy and MassFragment Software

作者：Guo, Jianming; Xue, Caifu; Duan, Jin-ao^*; Shang, Er-xin; Qian, Dawei; Tang, Yuping; Ouyang, Qiang; Sha, Mei

来源：Chromatographia, 2011, 73(5-6): 447-456.

DOI：10.1007/s10337-011-1915-8

• UPLC-QTOF-MS
• MassFragment software
• HuangKui Capsules

In this paper, ultra performance liquid chromatography (UPLC)-quadrupole-time-of-flight mass spectrometry (QTOF) with collision energy (MS (E) ) and MassFragment software were applied for fast separation and characterization of constituents in HuangKui Capsules (HKC). MS (E) was used for simultaneous acquisition of precursor ion information and fragment ion data at high and low collision energy in one analytical run, which facilitated the fast structural characterization of 12 constituents in HKC. When the reference compound was not available, MassFragment software was used to confirm the proposed structure, which increased our confidence in the MS fragment analysis of the proposed structure, facilitating the confirmation of the proposed structure and therefore easing the data processing procedure. In conclusion, UPLC-QTOF-MS (E) and MassFragment software described in this paper proved to be useful for the identification of constituents in complex herbal medicines and could greatly decrease analytical time. In addition, this method may be applied to the analysis of more complex data found in Traditional Chinese Medicine.

• 出版日期2011-3
• 单位南京中医药大学