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Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)
Published on: March 14, 2013
Characterizing the precision of mass-spectrometry-based metabolic profiling platforms
Age K Smilde1, Mariët J van der Werf, Jean-Pierre Schaller
1Swammerdam Institute for Life Sciences, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands. a.k.smilde@uva.nl
The Analyst
|October 20, 2009
Summary
This study introduces a new ANOVA-based method for measuring overall experimental precision in metabolomics. This approach breaks down variation sources, improving analytical method reproducibility for complex samples like tobacco aerosols.
Area of Science:
- Analytical Chemistry
- Metabolomics
- Statistics
Background:
- Conventional analytical chemistry reports figures of merit per analyte, which is insufficient for metabolomics due to the high number of compounds measured.
- Assessing the precision of complex metabolomic experiments requires a more holistic approach than individual analyte reporting.
Purpose of the Study:
- To propose and implement an ANOVA-based strategy for a global measure of experimental precision in metabolomics.
- To break down total variation into contributing components, identifying sources of variability.
- To evaluate the reproducibility of comprehensive gas chromatography (GC) and liquid chromatography-mass spectrometry (LC-MS) methods for tobacco aerosol analysis.
Main Methods:
- Utilized an ANOVA-based statistical strategy for global precision assessment.
- Implemented the strategy to analyze the reproducibility of comprehensive GC-MS and LC-MS methods.
- Quantified contributions from biological variability, sampling variability, and repeatability.
Main Results:
- Median coefficient of variation (CV) values for repeatability ranged from 4.6% to 12.5%.
- Median CV values for sampling variability ranged from 14.7% to 18.0%.
- Median CV values for biological variability ranged from 24.2% to 26.8%.
Conclusions:
- The ANOVA-based strategy provides a comprehensive measure of experimental precision in metabolomics.
- The breakdown of variation sources offers critical insights for optimizing analytical methods.
- This approach is valuable for improving the reproducibility of complex analyses, such as tobacco aerosol profiling.
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