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

被引：13

作者：

Guo, Jianming ^{[1
]}

Xue, Caifu ^{[1
]}

Duan, Jin-ao ^{[1
]}

Shang, Er-xin ^{[1
]}

Qian, Dawei ^{[1
]}

Tang, Yuping ^{[1
]}

Ouyang, Qiang ^{[2
]}

Sha, Mei ^{[2
]}

机构：

[1] Nanjing Univ Chinese Med, Jiangsu Key Lab TCM Formulae Res, Nanjing 210046, Peoples R China

[2] Jiangsu SZYY Grp Pharmaceut Ltd, Nanjing 210016, Peoples R China

来源：

CHROMATOGRAPHIA | 2011年 / 73卷 / 5-6期

基金：

中国国家自然科学基金;

关键词：

UPLC-QTOF-MS; MassFragment software; HuangKui Capsules; FLIGHT MASS-SPECTROMETRY; METABOLITE IDENTIFICATION; TIME; QUANTITATION; FLAVONOLDS; PESTICIDES; THROUGHPUT; VEGETABLES; MANIHOT; HPLC;

D O I：

10.1007/s10337-011-1915-8

中图分类号：

Q5 [生物化学];

学科分类号：

070307 [化学生物学];

摘要：

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.

引用

页码：447 / 456

页数：10

共 30 条

[1]

MSE with mass defect filtering for in vitro and in vivo metabolite identification [J].