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

Content Provider	Springer Nature Link
Author	Guo, Jianming Xue, Caifu Duan, Jin ao Shang, Er xin Qian, Dawei Tang, Yuping Ouyang, Qiang Sha, Mei
Copyright Year	2011
Abstract	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.
Starting Page	447
Ending Page	456
Page Count	10
File Format	PDF
ISSN	00095893
Journal	Chromatographia
Volume Number	73
Issue Number	5-6
e-ISSN	16121112
Language	English
Publisher	Springer-Verlag
Publisher Date	2011-02-03
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	UPLC–QTOF-MS MassFragment software HuangKui Capsules Pharmacy Plant Sciences Organic Chemistry Analytical Chemistry Biochemistry Proteomics
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Analytical Chemistry Biochemistry Clinical Biochemistry

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