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Open AccessArticle

Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study

1
School of Pharmacy, China Pharmaceutical University, Nanjing, Jiangsu 210009, China
2
National Engineering Laboratory for TCM Standardization Technology, Shanghai Research Center for Modernization of Traditional Chinese Medicine, Shanghai Institute of Materia Medica, Chinese Academy of Science, Shanghai 201203 China
*
Authors to whom correspondence should be addressed.
These authors contributed equally to this work.
Molecules 2018, 23(11), 3020; https://doi.org/10.3390/molecules23113020
Received: 8 October 2018 / Revised: 12 November 2018 / Accepted: 13 November 2018 / Published: 19 November 2018
The mass spectrometry (MS) has been widely used for profiling chemical components of traditional Chinese medicine (TCM). However, there are few studies reporting quality control of TCM based on mass spectrometry fingerprint (MSF) due to its complicated operation and high cost. The aim of this study was to extend the application of MSF for quality evaluation of TCM. In this study, an MSF based on single quadrupole mass spectrometry method was established, and was successfully used for the quality control of Venenum bufonis (VB), a famous TCM which was used clinically for cancer treatment in China. The results showed that the superiority of MSF for more chemical information exposure and the finding of more potential chemical markers (eight versus four) compared with the traditional photo-diode array (a kind of ultra violet detector, PDA). Besides, the performance of MSF was also validated by similarity and principle component analysis (PCA) of MS data acquired on two other mass spectrometry (low-resolution, triple quadrupole, QQQ, and high-resolution, quadruple time-of-flight, Q-TOF), showing high consistency with QQQ and Q-TOF, but robustness with few parameters’ settings. Based on our study, MSF could be widely applied for the quality control of TCM. View Full-Text
Keywords: mass spectrometry fingerprint; Venenum bufonis; quality control; chemometrics analysis mass spectrometry fingerprint; Venenum bufonis; quality control; chemometrics analysis
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MDPI and ACS Style

Wei, W.; Wang, X.; Hou, J.; Yao, C.; Feng, Z.; Zhang, J.; Han, S.; Deng, Y.; Huang, Y.; Wu, W.; Guo, D. Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study. Molecules 2018, 23, 3020. https://doi.org/10.3390/molecules23113020

AMA Style

Wei W, Wang X, Hou J, Yao C, Feng Z, Zhang J, Han S, Deng Y, Huang Y, Wu W, Guo D. Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study. Molecules. 2018; 23(11):3020. https://doi.org/10.3390/molecules23113020

Chicago/Turabian Style

Wei, Wenlong; Wang, Xia; Hou, Jinjun; Yao, Changliang; Feng, Zijin; Zhang, Jianqing; Han, Sumei; Deng, Yanping; Huang, Yong; Wu, Wanying; Guo, Dean. 2018. "Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study" Molecules 23, no. 11: 3020. https://doi.org/10.3390/molecules23113020

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