Identification of Botanicals Based on Their Chemical Barcode Using Ultraperformance Liquid Chromatography–Mass Spectrometry

IF 1.7 3区化学 Q4 BIOCHEMICAL RESEARCH METHODS

Rapid Communications in Mass Spectrometry Pub Date : 2025-06-10 DOI:10.1002/rcm.10081

Akhilesh Kumar, Mohsin Ali, Avinash Kumar, Dipak Kumar Mishra, Sanjeev Kanojiya

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引用次数: 0

Abstract

Rationale

Plants synthesize diverse secondary metabolites, often specific to particular species. These metabolites (phytochemicals) exhibit restricted distribution among certain plant families, genera, or species. Due to their species-specific characteristics, they can serve as chemical markers to identify and authenticate economically important botanicals.

Method

Ultrahigh performance liquid chromatography–mass spectrometry (UHPLC–MS) and a plant metabolome reference library were utilized to identify and authenticate botanicals based on their characteristic phytochemicals.

Result

A chemical barcode refers to a unique molecular weight sequence (e.g., M.W. 216, 392, 390, 438, 542, 368, and 495 for Curcuma longa) of characteristic phytochemicals of particular plant species. This study reports the utilization of a plant metabolome library, LC–MS, and MS/MS data to facilitate the identification of botanicals based on their chemical barcode. We have analyzed 20 economically important medicinal plant species (A. nilotica, A. calamus, A. scholaris, B. monnieri, B. diffusa, C. asiatica, C. sativus, C. longa, F. religiosa, M. alba, M. fragrans, N. sativa, O. tenuiflorum, P. amarus, P. betel, P. longum, P. nigrum, P. pinnata, S. asoca, and V. negundo); no false results were observed in multiple tested samples. Apart from this, barcoded metabolites were also identified to validate the results based on previously reported phytochemicals from respective plant species and their mass spectrometry data.

Conclusion

This approach facilitated the successful identification of botanicals through their chemical barcode and utilized a web-based LC–MS/MS library of nontargeted plant secondary metabolites.

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基于化学条形码的高效液相色谱-质谱法鉴别植物药物

植物合成多种次生代谢物，通常针对特定的物种。这些代谢物（植物化学物质）在某些植物科、属或种中分布有限。由于它们的种特异性，它们可以作为化学标记来识别和鉴定具有重要经济意义的植物。方法采用超高效液相色谱-质谱法（UHPLC-MS）和植物代谢组参考文库，根据植物化学成分特征对植物药材进行鉴定。结果化学条形码是指特定植物物种特有的化学物质的独特分子量序列，如姜黄（Curcuma longa）的M.W. 216、392、390、438、542、368和495。本研究报告了利用植物代谢组文库、LC-MS和MS/MS数据来促进基于化学条形码的植物药物鉴定。我们分析了20种具有重要经济价值的药用植物（nilotica、菖蒲、scholaris、monnieri、白花菖蒲、asiatica、sativus、longa、F. religiosa、M. alba、M. fragrans、sativa、O. tenuflorum、amarus、P.槟榔、P. longgum、P. nigrum、P. pinnata、asoca和V. negundo）；在多个测试样本中未观察到错误结果。除此之外，还鉴定了条形码代谢物，以验证基于先前报道的来自不同植物物种的植物化学物质及其质谱数据的结果。结论该方法利用基于网络的非靶向植物次生代谢物LC-MS /MS文库，通过化学条形码对植物进行了成功的鉴定。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Rapid Communications in Mass Spectrometry 化学-分析化学

CiteScore

4.10

自引率

5.00%

发文量

219

审稿时长

2.6 months

期刊介绍： Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.