The Analysis of Leontopodium leontopodioides (Willd.) Beauv. Chemical Composition by GC/MS and UPLC-Q-Orbitrap MS

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-05-07 DOI:10.1155/2024/3525212

Yuanyuan Chen, Yu Dong, Lin Song, Changxi Bai, Buhechaolu Wang, Chula Sa

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Abstract

Leontopodium leontopodioides (Willd.) Beauv. (L. leontopodioides.) has been used to treat lung diseases in traditional Chinese medicine (TCM). However, a systematic analysis of its chemical components has not been reported so far. In this study, UPLC-Q-Orbitrap MS and GC-MS were applied to investigate the chemical composition of the water extracts and essential oils of L. leontopodioides. UPLC-Q-Orbitrap MS adopts a heating electrospray ionization source, collecting primary and secondary mass spectrometry data in positive and negative ions, respectively, and uses Compound Discoverer 3.2 software to analyze the collected raw data. As a result, a total of 39 compounds were identified from their high-resolution mass spectra in both positive and negative ionization modes, including 13 flavonoids and their glycosides, 15 phenolic acids, 4 oligosaccharides and glycosides, 4 pentacyclic triterpenoids, and 3 other compounds. Among them, 18 chemical components have not been reported in L. leontopodioides. In the GC-MS section, two common organic solvents (n-hexane and diethyl ether) were used to extract essential oils, and the mass spectra were recorded at 70 eV (electron impact) and scanned in the range of 35∼450 m/z. Compounds were identified using NIST (version 2017), and the peak area normalization method was used to calculate their relative amounts. Finally, 17 components were identified in the volatile oil extracted with n-hexane, accounting for 80.38% of the total volatile oil, including monoterpenoids, phenylpropene, fatty acids, and aliphatic hydrocarbons. In the volatile oil extracted with diethyl ether, 16 components were identified, accounting for 73.50% of the total volatile oil, including phenylpropene, aliphatic hydrocarbons, monoterpenoids, fatty acids, and esters. This study was the first to conduct a comprehensive analysis of the chemical composition of the L. leontopodioides water extract and its essential oil, and a comprehensive chemical composition spectrum was constructed, to lay a foundation for its further pharmacodynamic material basis and quality evaluation.

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利用气相色谱/质谱和超高效液相色谱-质谱联用技术分析Leontopodium leontopodioides (Willd.) Beauv.GC/MS 和 UPLC-Q-Orbitrap MS 的化学成分分析

Leontopodium leontopodioides (Willd.) Beauv.（L. leontopodioides.）在传统中医中被用于治疗肺部疾病。然而，迄今为止尚未有对其化学成分进行系统分析的报道。本研究采用 UPLC-Q-Orbitrap MS 和 GC-MS 法研究了亮菌甲藻水提取物和精油的化学成分。UPLC-Q-Orbitrap MS采用加热电喷雾离子源，分别采集正离子和负离子的一级和二级质谱数据，并使用Compound Discoverer 3.2软件对采集的原始数据进行分析。结果，通过正、负离子高分辨率质谱共鉴定出 39 种化合物，包括 13 种黄酮类化合物及其苷类化合物、15 种酚酸类化合物、4 种低聚糖及苷类化合物、4 种五环三萜类化合物和 3 种其他化合物。其中，18 种化学成分在 L. leontopodioides 中未见报道。在气相色谱-质谱部分，使用两种常见的有机溶剂（正己烷和二乙醚）提取精油，在 70 eV（电子碰撞）下记录质谱，扫描范围为 35∼450 m/z。使用 NIST（2017 版）对化合物进行鉴定，并采用峰面积归一化方法计算其相对含量。最后，在用正己烷萃取的挥发油中鉴定出 17 种成分，占挥发油总量的 80.38%，包括单萜、苯丙烯、脂肪酸和脂肪烃。在用二乙醚提取的挥发油中，鉴定出 16 种成分，占挥发油总量的 73.50%，包括苯丙烯、脂肪烃、单萜、脂肪酸和酯类。该研究首次对L. leontopodioides水提取物及其精油的化学成分进行了全面分析，构建了全面的化学成分谱，为其进一步的药效物质基础和质量评价奠定了基础。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.