Application of Ultra-High-Performance Liquid Chromatography Coupled with LTQ-Orbitrap Mass Spectrometry for the Qualitative and Quantitative Analysis of Polygonum multiflorum Thumb. and Its Processed Products

Abstract

Abstract:In order to quickly and simultaneously obtain the chemical profiles and control the quality of the root of Polygonum multiflorum Thumb. and its processed form, a rapid qualitative and quantitative method, using ultra-high-performance liquid chromatography coupled with electrospray ionization-linear ion trap-Orbitrap hybrid mass spectrometry (UHPLC-LTQ-Orbitrap MS n ) has been developed. The analysis was performed within 10 min on an AcQuity UPLC™ BEH C 18 column with a gradient elution of 0.1% formic acid-acetonitrile at flow rate of 400 µL/min. According to the fragmentation mechanism and high resolution MS n data, a diagnostic ion searching strategy was used for rapid and tentative identification of main phenolic components and 23 compounds were simultaneously identified or tentatively characterized. The difference in chemical profiles between P. multiflorum and its processed preparation were observed by comparing the ions abundances of main constituents in the MS spectra and significant changes of eight metabolite biomarkers were detected in the P. multiflorum samples and their preparations. In addition, four of the representative phenols, namely gallic acid, trans-2,3,5,4 1 -tetra-hydroxystilbene-2-O-β-D-glucopyranoside, emodin and emodin-8-O-β-D-glucopyranoside were quantified by the validated UHPLC-MS/MS method. These phenols are considered to be major bioactive constituents in P. multiflorum, and are generally regarded as the index for quality assessment of this herb. The method was successfully used to quantify 10 batches of P. multiflorum and 10 batches of processed P. multiflorum. The results demonstrated that the method is simple, rapid, and suitable for the discrimination and quality control of this traditional Chinese herb.

Simultaneous Qualitation and Quantitation of Chlorogenic Acids in Kuding Tea Using Ultra-High-Performance Liquid Chromatography–Diode Array Detection Coupled with Linear Ion Trap–Orbitrap Mass Spectrometer

“…However, the determination method by HPLC usually took too much time (>40 min), and was not sensitive enough for trace component analysis in the complicated extracts. Recently, a hybrid linear ion trap-Orbitrap (LTQ-Orbitrap) analytical platform has been applied to the analysis of small molecules in various traditional Chinese medicine (TCM) and biological samples [13][14][15][16][17]. It consists of a 2D ion trap coupled with an Orbitrap, and allows two different scan types to be acquired simultaneously.…”

Phenolic Constituents from Fallopia multiflora (Thunberg) Haraldson

“…us, compound 3 could be considered as a specific chemotaxonomic marker for F. multiflora. e anthraquinones and stilbenes including emodin (5), emodin 8-O-glucopyranoside (6) and 2,3,5,4′-tetrahydroxystilbene-2-O-β-glucoside (9) are main constituents of F. multiflora and have been listed as chemical markers for quality control of this plant material [2,17]. e present study reports for the first time the occurrence of benzyl gentiobioside (10) in Polygonaceae, which can be used as a characteristic chemical constituent of F. multiflora in contrast to other species belonging to the genus Fallopia and family Polygonaceae.…”

“…It is grown for various medicinal values ranging from bowel relaxation, antiaging, hair loss prevention, increasing sexual vigour, treatment of high cholesterol, high blood pressure, and inflammation [1]. Previous phytochemical investigations have revealed the presence of stilbenes and anthraquinones as major components in F. multiflora [2]. 2,3,5,4′-Tetrahydroxystilbene-2-O-β-D-glucopyranoside, emodin, and physcion are used as main markers for quality control of F. multiflora materials and related products [3].…”

Identification of Metabolites of 6′-Hydroxy-3,4,5,2′,4′-pentamethoxychalcone in Rats by a Combination of Ultra-High-Performance Liquid Chromatography with Linear Ion Trap-Orbitrap Mass Spectrometry Based on Multiple Data Processing Techniques

“…In order to obtain as many fragment ions as possible, the peaks detected with intensity over 10,000 were selected for identification. The chemical formulas for all parent and fragment ions of the selected peaks were calculated from the accurate mass using a formula predictor by setting the parameters as follows: C (0-30), H (0-50), O (0-20), S (0-4), N (0-4), Cl (0-4) and ring double bond (RDB) equivalent value [0][1][2][3][4][5][6][7][8][9][10][11][12][13][14][15]. Other elements such as P and Br were not considered as they are rarely present in the complex matrix.…”

“…In metabolism studies, it is very important to identify and characterize the chemical structure of metabolites [7,8]. Recently, with the development of various data acquisition methods, liquid chromatography-mass spectrometry (LC-MS), especially with high-resolution mass spectrometry (HRMS), has exhibited excellent performance for metabolite detection because of its high-speed and high detection sensitivity [9,10]. For example, the linear ion trap-Orbitrap mass spectrometer (LTQ-Orbitrap) used here combines a high trapping capacity and the MS n scanning function of the linear ion trap along with accurate mass measurements below 5 ppm and a resolving power of up to 30,000 [11][12][13].…”