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Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry

Plant secondary metabolism drives the generation of metabolites used for host plant resistance, as biopesticides and botanicals, even for the discovery of new therapeutics for human diseases. Flavonoids are one of the largest and most studied classes of specialized plant metabolites. To quickly iden...

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Autores principales: Gu, Wan-Yi, Li, Na, Leung, Elaine Lai-Han, Zhou, Hua, Luo, Guo-An, Liu, Liang, Wu, Jian-Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272731/
https://www.ncbi.nlm.nih.gov/pubmed/25738538
http://dx.doi.org/10.3390/molecules20033955
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author Gu, Wan-Yi
Li, Na
Leung, Elaine Lai-Han
Zhou, Hua
Luo, Guo-An
Liu, Liang
Wu, Jian-Lin
author_facet Gu, Wan-Yi
Li, Na
Leung, Elaine Lai-Han
Zhou, Hua
Luo, Guo-An
Liu, Liang
Wu, Jian-Lin
author_sort Gu, Wan-Yi
collection PubMed
description Plant secondary metabolism drives the generation of metabolites used for host plant resistance, as biopesticides and botanicals, even for the discovery of new therapeutics for human diseases. Flavonoids are one of the largest and most studied classes of specialized plant metabolites. To quickly identify the potential bioactive flavonoids in herbs, a metabolites software-assisted flavonoid hunting approach was developed, which mainly included three steps: firstly, utilizing commercial metabolite software, a flavonoids database was established based on the biosynthetic pathways; secondly, mass spectral data of components in herbs were acquired by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF-MS); and finally, the acquired LC-MS data were imported into the database and the compounds in the herbs were automatically identified by comparison of their mass spectra with the theoretical values. As a case study, the flavonoids in Smilax glabra were profiled using this approach. As a result, 104 flavonoids including 27 potential new compounds were identified. To our knowledge, this is the first report on profiling the components in the plants utilizing the plant metabolic principles with the assistance of metabolites software. This approach can be extended to the analysis of flavonoids in other plants.
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spelling pubmed-62727312018-12-31 Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry Gu, Wan-Yi Li, Na Leung, Elaine Lai-Han Zhou, Hua Luo, Guo-An Liu, Liang Wu, Jian-Lin Molecules Article Plant secondary metabolism drives the generation of metabolites used for host plant resistance, as biopesticides and botanicals, even for the discovery of new therapeutics for human diseases. Flavonoids are one of the largest and most studied classes of specialized plant metabolites. To quickly identify the potential bioactive flavonoids in herbs, a metabolites software-assisted flavonoid hunting approach was developed, which mainly included three steps: firstly, utilizing commercial metabolite software, a flavonoids database was established based on the biosynthetic pathways; secondly, mass spectral data of components in herbs were acquired by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF-MS); and finally, the acquired LC-MS data were imported into the database and the compounds in the herbs were automatically identified by comparison of their mass spectra with the theoretical values. As a case study, the flavonoids in Smilax glabra were profiled using this approach. As a result, 104 flavonoids including 27 potential new compounds were identified. To our knowledge, this is the first report on profiling the components in the plants utilizing the plant metabolic principles with the assistance of metabolites software. This approach can be extended to the analysis of flavonoids in other plants. MDPI 2015-03-02 /pmc/articles/PMC6272731/ /pubmed/25738538 http://dx.doi.org/10.3390/molecules20033955 Text en © 2015 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Gu, Wan-Yi
Li, Na
Leung, Elaine Lai-Han
Zhou, Hua
Luo, Guo-An
Liu, Liang
Wu, Jian-Lin
Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
title Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
title_full Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
title_fullStr Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
title_full_unstemmed Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
title_short Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
title_sort metabolites software-assisted flavonoid hunting in plants using ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272731/
https://www.ncbi.nlm.nih.gov/pubmed/25738538
http://dx.doi.org/10.3390/molecules20033955
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