caa a22 4500 445802081 CHVBK 20180317145144.0 cr unu---uuuuu 170323e20110301xx s 000 0 eng 10.1007/s10337-011-1915-8 doi (NATIONALLICENCE)springer-10.1007/s10337-011-1915-8 Fast Characterization of Constituents in HuangKui Capsules Using UPLC-QTOF-MS with Collision Energy and MassFragment Software [Elektronische Daten] [Jianming Guo, Caifu Xue, Jin-ao Duan, Er-xin Shang, Dawei Qian, Yuping Tang, Qiang Ouyang, Mei Sha] In this paper, ultra performance liquid chromatography (UPLC)-quadrupole-time-of-flight mass spectrometry (QTOF) with collision energy (MSE) and MassFragment software were applied for fast separation and characterization of constituents in HuangKui Capsules (HKC). MSE 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-MSE 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. Springer-Verlag, 2011 UPLC-QTOF-MS nationallicence MassFragment software nationallicence HuangKui Capsules nationallicence Guo Jianming Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut Xue Caifu Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut Duan Jin-ao Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut Shang Er-xin Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut Qian Dawei Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut Tang Yuping Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut Ouyang Qiang Jiangsu SZYY Group Pharmaceutical Limited, 210016, Nanjing, People's Republic of China aut Sha Mei Jiangsu SZYY Group Pharmaceutical Limited, 210016, Nanjing, People's Republic of China aut Chromatographia Springer-Verlag 73/5-6(2011-03-01), 447-456 0009-5893 73:5-6<447 2011 73 10337 https://doi.org/10.1007/s10337-011-1915-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10337-011-1915-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Guo Jianming Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Xue Caifu Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Duan Jin-ao Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Shang Er-xin Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Qian Dawei Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Tang Yuping Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 210046, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Ouyang Qiang Jiangsu SZYY Group Pharmaceutical Limited, 210016, Nanjing, People's Republic of China aut NATIONALLICENCE 700 1- Sha Mei Jiangsu SZYY Group Pharmaceutical Limited, 210016, Nanjing, People's Republic of China aut NATIONALLICENCE 773 0- Chromatographia Springer-Verlag 73/5-6(2011-03-01), 447-456 0009-5893 73:5-6<447 2011 73 10337 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer