Abstract
The state of the art ion mobility quadrupole time of flight (IM-QTOF) mass spectrometer coupled with ultra-high performance liquid chromatography (UHPLC) can offer four-dimensional information supporting the comprehensive multicomponent characterization of traditional Chinese medicine (TCM). Compound Xueshuantong Capsule (CXC) is a four-component Chinese patent medicine prescribed to treat ophthalmic disease and angina. However, research systematically elucidating its chemical composition is not available. An approach was established by integrating reversed-phase UHPLC separation, IM-QTOF-MS operating in both the negative and positive electrospray ionization modes, and a “Component Knockout” strategy. An in-house ginsenoside library and the incorporated TCM library of UNIFITM drove automated peak annotation. With the aid of 85 reference compounds, we could separate and characterize 230 components from CXC, including 155 ginsenosides, six astragalosides, 16 phenolic acids, 16 tanshinones, 13 flavonoids, six iridoids, ten phenylpropanoid, and eight others. Major components of CXC were from the monarch drug, Notoginseng Radix et Rhizoma. This study first clarifies the chemical complexity of CXC and the results obtained can assist to unveil the bioactive components and improve its quality control.
Highlights
Compound formulae of traditional Chinese medicine (TCM), rather than a single herb, have been used for thousands of years for the prevention and treatment of diseases
Impressive achievements have been made in chromatography, mass spectrometry, and the data processing solutions, which drive
Optimization of a ultra-high performance liquid chromatography (UHPLC)/ion mobility quadrupole time of flight (IM-QTOF)-MS Approach Dedicated to Separating and Characterizing the
Summary
Compound formulae of traditional Chinese medicine (TCM), rather than a single herb, have been used for thousands of years for the prevention and treatment of diseases. A key obstacle involved in the process of TCM modernization and globalization lies in the dimness of the chemical composition, which largely restricts the investigations with respect to pharmacology, mechanism of action, and quality control [1]. Molecules 2019, 24, 3431 chemicals involved, featured by large spans of polarity, molecular mass, and content [2], which renders holistic evaluation of the quality rather difficult to implement for TCM formulae [3]. Advances in analytical chemistry have facilitated the comprehensive profiling and characterization of the whole metabolome from herbal medicines or TCM formulae [4]. On one hand, advanced column chromatography technologies and ultra-high pressure-enduring instruments greatly accelerate the efficiency of analysis and expand the coverage of analyses [6].
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