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Related Concept Videos

Proteomics01:33

Proteomics

A proteome is the entire set of proteins that a cell type produces. We can study proteomes using the knowledge of genomes because genes code for mRNAs, and the mRNAs encode proteins. Although mRNA analysis is a step in the right direction, not all mRNAs are translated into proteins.
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term proteomics...

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Related Experiment Video

Updated: May 24, 2026

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)
07:34

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)

Published on: March 14, 2013

Meta-analysis of untargeted metabolomic data from multiple profiling experiments.

Gary J Patti1, Ralf Tautenhahn, Gary Siuzdak

  • 1Department of Genetics, Washington University School of Medicine, St. Louis, Missouri, USA.

Nature Protocols
|February 21, 2012
PubMed
Summary

metaXCMS is a powerful software for analyzing untargeted metabolomic data from liquid chromatography/mass spectrometry. It efficiently identifies key metabolic differences across multiple sample groups, aiding in prioritizing significant findings.

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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)

Published on: May 20, 2013

A Strategy for Sensitive, Large Scale Quantitative Metabolomics
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A Strategy for Sensitive, Large Scale Quantitative Metabolomics

Published on: May 27, 2014

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Last Updated: May 24, 2026

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)
07:34

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)

Published on: March 14, 2013

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
11:00

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)

Published on: May 20, 2013

A Strategy for Sensitive, Large Scale Quantitative Metabolomics
14:18

A Strategy for Sensitive, Large Scale Quantitative Metabolomics

Published on: May 27, 2014

Area of Science:

  • Metabolomics
  • Bioinformatics
  • Analytical Chemistry

Background:

  • Untargeted metabolomics generates complex datasets.
  • Identifying differences between biological sample groups is crucial.
  • Current methods can lead to extensive data requiring reduction.

Purpose of the Study:

  • To introduce metaXCMS, a software for analyzing liquid chromatography/mass spectrometry (LC/MS) based untargeted metabolomic data.
  • To facilitate the identification of differences in metabolic profiles across multiple sample groups.
  • To enable efficient prioritization of metabolite features through meta-analysis.

Main Methods:

  • Utilizes second-order (meta-) analysis for data reduction.
  • Processes raw mass spectrometry data.
  • Supports data from most commercial mass spectrometers.

Main Results:

  • Provides a step-by-step protocol from raw data to results.
  • Visualizes results using Venn diagrams.
  • Exports results to Microsoft Excel spreadsheets.
  • Handles unlimited sample groups and individual samples.

Conclusions:

  • metaXCMS facilitates prioritization of metabolite features from large untargeted metabolomic datasets.
  • The software supports extensive sample comparisons and diverse data sources.
  • Analysis is generally completed within one day, depending on resources.