Comprehensive multicomponent characterization and fingerprinting analysis of Lanqin Oral Liquid by ultra‐high‐performance liquid chromatography coupled with ion mobility‐quadrupole time‐of‐flight mass spectrometry

Abstract

Comprehensive characterization of the chemical constituents of Chinese patent medicine poses a great challenge due to the frustrating complexity resulting from superposition of multiple drugs. Lanqin Oral Liquid is a five‐component Chinese patent medicine widely applied to treat pharyngeal inflammation in clinic. Here, we streamline a universal three‐dimensional separation approach to efficiently identify the multicomponents from Lanqin Oral Liquid by ultra‐high‐performance liquid chromatography/ion mobility quadrupole time‐of‐flight mass spectrometry and UNIFI/in‐house library‐driven automatic peak annotation. Because of the systematic optimization, the use of an HSS T3 column enabled good separation of the multiple components within 42 min, while high‐definition MSE in both the negative and positive modes could characterize more classes of herbal components, thus providing the retention, collision cross‐section, and MS information for each component. Benefiting from the ion mobility separation, cleaner MS1 and MS2 spectra were acquired. Aided by comparison and analysis of the fragmentation pathways of 49 reference compounds, we could characterize 175 compounds from Lanqin Oral Liquid. A validated high‐performance liquid chromatography fingerprinting approach unveiled good similarity (0.985–1.000) among 22 batches of commercial samples. Conclusively, we demonstrated a practical solution to elucidating the chemical composition of Chinese patent medicines, with the potential of popularization.

Ion Mobility Mass Spectrometry for the Separation and Characterization of Small Molecules

“…In order to improve the efficiency of metabolite characterization, it is necessary to develop the processing software containing a standard CCS value database . Wang et al identified many components in Lanqin Oral Liquid (a Chinese patent medicine) by UPLC-IM-QTOF-MS and automatic peak annotation driven by UNIFI software. The CCS data correlation global natural products molecular networking platform (GNPS) can further identify targeted or nontargeted compounds with a high throughput. − …”

Comprehensive multicomponent characterization and quality assessment of Shuang‐Huang‐Lian powder injection using ultra‐high‐performance liquid chromatography‐quadrupole time‐of‐flight‐mass spectrometry and ultra‐high‐performance liquid chromatography‐quadrupole‐Orbitrap‐mass spectrometry

“…Therefore, it is most important to develop powerful analytical methods to identify or characterize the material basis of TCMFP. 6 This is of great significance to the modernization and globalization of TCM.…”

“…In addition, the chemical composition of traditional Chinese medicine formula preparations (TCMFP) may change in every link from active drug ingredient to finished product. Therefore, it is most important to develop powerful analytical methods to identify or characterize the material basis of TCMFP 6 . This is of great significance to the modernization and globalization of TCM.…”

Screening for potential quality markers of Callerya nitida var. hirsutissima. Z.Wei based on components profile, pharmacokinetics, and anti‐inflammatory study

“…Step 1: In order to determine the compound, the error range of the fragment ion peak should be less than 5 ppm [16]. Therefore, having high resolution and high sensitivity, UHPLC-quadrupole-TOF-MS (UHPLC-Q-TOF-MS) was used to analyze the composition of CNH ethanol extract to identify unknown compounds [17,18]. Step 2: Blood samples are analyzed at multiple time points using UHPLC-Q-TOF-MS to determine the CNH components in the plasma and compare them to the main components of CNH to confirm the absorbed components in the plasma.…”

“…hirsutissima. Z.Wei (CNH) solution, *5-Hydroxymethylfurfural (1), Gallocatechin (2), Daidzin (3), Genistein-7-o-β-d-apinoyl-(1→6)-O-β -d-glucopyranoside (4), Chickpea a7-o-β-d-glucopyranoside (5), Genistin (6), 3′-O-methylorobol (7), Butein (8), Ononin (9), Daidzein (10), Isoliquiritigenin (11), 8-methylretusin-7-O-β-D-glucopyranoside (12), Calycosin(13), Altalin(14), Genistein(15), Astragaluquinone(16), Formononetin (17),7-hydroxy-4′, 6-dimethoxyisoflavone(18), and Schizandrin B(19)…”