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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
Published on: May 20, 2013
Web-based resources for mass-spectrometry-based metabolomics: a user's guide.
Takayuki Tohge1, Alisdair R Fernie
1Max-Planck-Institut für Molekulare Pflanzenphysiologie, Am Mühlenberg 1, 14476 Potsdam-Golm, Germany. tohge@mpimp-golm.mpg.de
Phytochemistry
|March 17, 2009
Summary
This review covers web-based software for plant metabolomics, aiding metabolite profiling, peak identification, and alignment. It highlights challenges in data sharing and cross-laboratory comparisons for accurate plant metabolome analysis.
Area of Science:
- Biochemistry
- Bioinformatics
- Plant Science
Background:
- Mass spectrometry-based metabolomics is crucial for understanding plant biochemistry.
- The chemical diversity and dynamic range of plant metabolites present significant analytical challenges.
- Effective data sharing is essential for large-scale plant metabolome projects.
Purpose of the Study:
- To review available web-based software tools for plant metabolomics.
- To address challenges in metabolite profiling, peak identification, and alignment.
- To facilitate accurate data comparison across experiments and laboratories.
Main Methods:
- Literature review of web-based software for metabolomics.
- Categorization of tools based on function (peak identification, alignment, structural elucidation).
- Discussion of experimental and data interpretation requirements for comparative metabolomics.
Main Results:
- A range of software tools are available to support various stages of metabolomics analysis.
- Software aids in metabolite identification, peak alignment, and structural information retrieval.
- The review emphasizes the need for standardized practices for reliable data interpretation.
Conclusions:
- Web-based tools are vital for advancing plant metabolomics research.
- Addressing data comparability is key to overcoming challenges in plant metabolome analysis.
- Further development and adoption of standardized software and practices are recommended.
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