Citation: PAN Zhiran, LIANG Hailong, LIANG Chaohui, XU Wen. An ultra-high-pressure liquid chromatography/linear ion trap-Orbitrap mass spectrometry method coupled with a diagnostic fragment ions-searching-based strategy for rapid identification and characterization of chemical components in Polygonum cuspidatum[J]. Chinese Journal of Chromatography, ;2015, 33(1): 22-28. doi: 10.3724/SP.J.1123.2014.07006 shu

An ultra-high-pressure liquid chromatography/linear ion trap-Orbitrap mass spectrometry method coupled with a diagnostic fragment ions-searching-based strategy for rapid identification and characterization of chemical components in Polygonum cuspidatum

PAN Zhiran ¹ ,
LIANG Hailong ¹ ,
LIANG Chaohui ¹ ,
XU Wen ^1,2,,

1.
1. The Second College of Clinic Medicine, Guangzhou University of Chinese Medicine, Guangzhou 510006, China;

Corresponding author: XU Wen,
Received Date: 2 July 2014
Available Online: 16 September 2014
Fund Project: 国家自然科学基金项目(81402887) (81402887)2012年广州中医药大学优秀青年学者科研基金(No.10) (No.10)广东省中医药局建设中医药强省科研课题(20121198). (20121198)

A method for qualitative analysis of constituents in Polygonum cuspidatum by ultra-high-pressure liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometry (UHPLC-LTQ-Orbitrap MS) has been established. The methanol extract of Polygonum cuspidatum was separated on a Waters UPLC C₁₈ column using acetonitrile-water (containing formic acid) eluting system and detected by LTQ-Orbitrap hybrid mass spectrometer in negative mode. The targeted components were further fragmented in LTQ and high accuracy data were acquired by Orbitrap MS. The summarized fragmentation pathways of typical reference components and a diagnostic fragment ions-searching-based strategy were used for detection and identification of the main phenolic components in Polygonum cuspidatum. Other clues such as nitrogen rule, even electron rule, degree of unsaturation rule and isotopic peak data were included for the structural elucidation as well. The whole analytical procedure was within 10 min and more than 30 components were identified or tentatively identified. This method is helpful for further phytochemical research and quality control on Polygonum cuspidatum and related preparations.
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