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基于参考标准品开发用于检测植物代谢组中三萜类化合物的串联质谱库。

Development of a Tandem Mass Spectral Library for the Detection of Triterpenoids in Plant Metabolome Based on Reference Standards.

作者信息

Zareena Bibi, Jeelani Syed Usama Y, Khadim Adeeba, Ali Arslan, Uddin Jalal, Sarker Satyajit D, Rainer Matthias, Khalifa Shaden A M, El-Seedi Hesham R, Ramzan Muhammad, Musharraf Syed Ghulam

机构信息

H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.

Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.

出版信息

Plants (Basel). 2024 Nov 22;13(23):3278. doi: 10.3390/plants13233278.

DOI:10.3390/plants13233278
PMID:39683071
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11644824/
Abstract

Plant triterpenoids represent a diverse group of secondary metabolites and are thought to be valuable for therapeutic applications. For drug development, lead optimization, better knowledge of biological pathways, and high-throughput detection of secondary metabolites in plant extracts are crucial. This paper describes a qualitative method for the rapid and accurate identification of various triterpenoids in plant extracts using the LC-HR-ESI-MS/MS tool in combination with the data-dependent acquisition (DD) approach. A total of 44 isolated, purified, and characterized triterpenoids were analyzed. HR-MS spectra and tandem mass spectra (MS/MS) of each compound were recorded in the positive ionization mode in two different sets of collisional energies, i.e., (25-62.5 eV), and fixed collisional energies (10, 20, 30, and 40 eV). As a result, three triterpenoids were identified in all plant extracts using the retention time, high-resolution mass spectra, and/or MS/MS spectra. The developed method will be helpful with other plant extracts/botanicals, as well as in the search for new triterpenoids in the kingdom Plantae.

摘要

植物三萜类化合物是一类多样的次生代谢产物,被认为在治疗应用中具有重要价值。对于药物开发而言,先导化合物优化、对生物途径的深入了解以及对植物提取物中次生代谢产物的高通量检测至关重要。本文描述了一种定性方法,该方法使用LC-HR-ESI-MS/MS工具结合数据依赖型采集(DD)方法,快速准确地鉴定植物提取物中的各种三萜类化合物。共分析了44种分离、纯化和表征的三萜类化合物。每种化合物的高分辨质谱(HR-MS)和串联质谱(MS/MS)在两种不同的碰撞能量组,即(25 - 62.5电子伏特)以及固定碰撞能量(10、20、30和40电子伏特)下,以正离子模式记录。结果,利用保留时间、高分辨质谱和/或MS/MS谱在所有植物提取物中鉴定出了三种三萜类化合物。所开发的方法将有助于分析其他植物提取物/植物药,以及在植物界寻找新的三萜类化合物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a48f/11644824/fb206db1c0fb/plants-13-03278-g002a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a48f/11644824/3e444fa28195/plants-13-03278-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a48f/11644824/fb206db1c0fb/plants-13-03278-g002a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a48f/11644824/3e444fa28195/plants-13-03278-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a48f/11644824/fb206db1c0fb/plants-13-03278-g002a.jpg

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