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Characterization of the potential new phthalides in Ligusticum chuanxiong Hort. using ultra‐performance liquid chromatography coupled with quadrupole time of flight tandem mass spectrometry
Author(s) -
Zhang Qingqing,
Wang Meiling,
Wang Qing,
Zhao Huizhen,
Zhang Zhixin,
Yu Honghong,
Liu Yuehong,
Fu Shuang,
Lu Zhiwei,
Huang Zhenghai,
Xie Ziye,
Gao Xiaoyan,
Qiao Yanjiang
Publication year - 2017
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201601443
Subject(s) - quadrupole time of flight , chemistry , tandem mass spectrometry , tandem , mass spectrometry , chromatography , time of flight mass spectrometry , fragmentation (computing) , characterization (materials science) , high resolution , liquid chromatography–mass spectrometry , nanotechnology , materials science , organic chemistry , computer science , ion , remote sensing , geology , composite material , ionization , operating system
The characterization of unknown compounds is still a great challenge currently. A strategy for deduction of potential new phthalides through the characterization of isomers based on ultra‐performance liquid chromatography coupled with quadrupole time of flight tandem mass spectrometry was proposed here to characterize the unknown compounds of Ligusticum chuanxiong Hort. (Chuanxiong). This proposed strategy consisted of four steps: (1) the high resolution MS data was collected, and the peaks were screened preliminarily by UNIFI TM platform based on the in‐house database; (2) the fragmentation patterns and the characteristic fragments were summarized based on the representative standards; (3) the target compounds were identified based on the fragmentation rules, standards comparison and false positive exclusion; (4) the unknown components were structurally characterized according to the accurate mass and fragmentation patterns analysis. This strategy was successfully applied to the identification and deduction of phthalides in Chuanxiong. A total of 81 phthalides were detected. Fifty‐five known phthalides were identified, and 26 potential new phthalides were characterized. This research enriched the material basis of Chuanxiong, and provided a liquid chromatography tandem mass spectrometry‐oriented method for the discovery of the potential new compounds.