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Benchmarking Non-Targeted Metabolomics Using Yeast-Derived Libraries.

Evelyn Rampler1,2, Gerrit Hermann1,3, Gerlinde Grabmann4

  • 1Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 38, 1090 Vienna, Austria.

Metabolites
|April 3, 2021
PubMed
Summary

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This summary is machine-generated.

This study introduces yeast extracts as a cost-effective benchmark material for non-targeted metabolomics. This standardized material aids in method validation and quality control for high-resolution mass spectrometry (HRMS) experiments.

Area of Science:

  • Metabolomics
  • Analytical Chemistry
  • Biotechnology

Background:

  • Non-targeted analysis using high-resolution mass spectrometry (HRMS) is crucial for metabolomics discovery.
  • Standardization and validation challenges hinder widespread adoption.
  • A lack of community-accepted, cost-effective benchmark materials impedes progress.

Purpose of the Study:

  • To develop and validate yeast extracts from controlled fermentations as a benchmark material for metabolomics.
  • To establish an open-source metabolite library for quality control and method development.
  • To assess the stability and reproducibility of metabolites within the benchmark material.

Main Methods:

  • Controlled fermentation of *Pichia pastoris* yeast.
  • Creation of an open-source metabolite library (>200 compounds) using accurate mass, retention times, MS/MS, and literature data.
Keywords:
benchmarkingdatabaselibrarylipidsmass spectrometrymetabolitesnon-targeted metabolomicsquality controlyeast

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  • Orthogonal reversed-phase (RP-) and hydrophilic interaction chromatography mass spectrometry (HILIC-MS) analyses.
  • Stability assessment of metabolites over three years at -80 °C.

    • Main Results:

    • An open-source library of >200 identified metabolites was established.
    • 104 out of 206 confirmed metabolites were reproducibly recovered and stable for three years.
    • 67 metabolites demonstrated stable areas across multiple yeast fermentations, suitable for benchmarking.
    • The yeast material facilitated testing of chemical space, method development, and instrumental performance.

    Conclusions:

    • Yeast extracts provide a valuable, cost-effective benchmark for non-targeted metabolomics.
    • The material enables robust quality control and batch-to-batch correction in large-scale studies.
    • This resource supports standardization and validation efforts in the metabolomics community.