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Related Experiment Video

Updated: Jan 5, 2026

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
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WebSpecmine: A Website for Metabolomics Data Analysis and Mining.

Sara Cardoso1, Telma Afonso2, Marcelo Maraschin3

  • 1CEB-Centre Biological Engineering, University of Minho, 4710-057 Braga, Portugal. saracardoso501@gmail.com.

Metabolites
|October 23, 2019
PubMed
Summary
This summary is machine-generated.

WebSpecmine is a new web application for analyzing metabolomics data using various techniques. It offers diverse analytical methods and data storage, empowering researchers without programming skills.

Keywords:
data miningmetabolite identificationmetabolomicsopen-source softwarepathway analysisstatistical analysis

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Area of Science:

  • Biomedical Research
  • Metabolomics
  • Bioinformatics

Background:

  • Metabolomics data analysis is crucial in biomedical research.
  • Existing tools lack diverse methods, data types, and data sharing capabilities.
  • There is a need for an integrated platform for metabolomics data analysis and management.

Purpose of the Study:

  • To develop WebSpecmine, a web-based application for comprehensive metabolomics data analysis.
  • To provide a user-friendly platform for researchers, including those without programming skills.
  • To enable secure storage and sharing of metabolomics data and analysis results.

Main Methods:

  • WebSpecmine utilizes R and the Shiny web framework for implementation.
  • It supports analysis of data from spectroscopic (NMR, IR, UV-Vis, Raman) and chromatographic (LC/GC-MS) techniques.
  • Includes univariate, multivariate statistical analysis, metabolite identification, and pathway analysis.

Main Results:

  • WebSpecmine offers a wide range of analysis methods for metabolomics data.
  • Users can store and share their data and results privately or publicly.
  • The application is freely available and supports major browsers, with extensive documentation.

Conclusions:

  • WebSpecmine addresses limitations in current metabolomics analysis tools.
  • It provides an accessible and versatile platform for researchers to analyze and manage their data.
  • Facilitates advanced data analysis and collaboration in metabolomics research.