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FluxFix: automatic isotopologue normalization for metabolic tracer analysis.

Sophie Trefely1,2, Peter Ashwell3, Nathaniel W Snyder3

  • 1AJ Drexel Autism Institute, Drexel University, Philadelphia, PA, 19104, USA. sjt65@drexel.edu.

BMC Bioinformatics
|November 27, 2016
PubMed
Summary

FluxFix is a free web tool that corrects mass spectrometry data for natural isotopologue abundance in metabolic tracer studies. This enables faster, more reliable analysis of isotopically labeled substrates like glucose.

Keywords:
CorrectionEnrichmentFluxIsotopologueMetaboliteNormalizationTracer

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Area of Science:

  • Metabolic research
  • Biochemistry
  • Analytical chemistry

Background:

  • Isotopic tracer analysis using mass spectrometry is crucial for studying metabolism.
  • Correction of natural isotopologue distribution is essential for accurate data interpretation.
  • Existing correction methods are often slow, error-prone, and platform-specific.

Purpose of the Study:

  • To develop a user-friendly and reliable tool for correcting mass spectrometry data in metabolic tracer experiments.
  • To provide a freely accessible web-based application for accurate isotopologue analysis.

Main Methods:

  • FluxFix utilizes user-entered 'unlabeled' data to generate a correction matrix based on a validated algorithm.
  • The correction matrix is applied to 'labeled' data to yield corrected isotopologue abundance.
  • The application accepts data from theoretical or experimentally measured natural isotopologue distributions.

Main Results:

  • FluxFix quickly and reliably transforms signal intensity values into percent mole enrichment for each isotopologue.
  • The tool is compatible with spreadsheet applications and automatically adjusts to data dimensions.
  • FluxFix is generalizable to known or unknown metabolites and agnostic to the mass spectrometry platform.

Conclusions:

  • FluxFix offers a fast, reliable, and accessible solution for correcting metabolic tracer data.
  • The web-based calculator enhances the robustness and ease of data analysis in metabolic studies.
  • This tool democratizes accurate isotopologue analysis for researchers worldwide.