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Development, characterization and comparisons of targeted and non-targeted metabolomics methods
Anton Ribbenstedt1, Haizea Ziarrusta1,2, Jonathan P Benskin1
1Department of Environmental Science and Analytical Chemistry (ACES), Stockholm University, Stockholm, Sweden.
Plos One
|November 16, 2018
Summary
This study compares targeted and non-targeted metabolomics methods, finding targeted approaches offer superior precision for metabolite analysis. The research provides key insights into the strengths and weaknesses of each metabolomics technique.
Area of Science:
- Analytical Chemistry
- Biochemistry
- Metabolomics
Background:
- Metabolomics methods require analytical precision, metabolite identification, and broad coverage for accurate biological insights.
- Targeted metabolomics excels in precision and identification, while non-targeted metabolomics offers broader coverage.
- A systematic comparison of these two metabolomics approaches has been lacking.
Purpose of the Study:
- To develop and evaluate separate targeted and non-targeted metabolomics methods.
- To systematically compare the performance, precision, and accuracy of targeted versus non-targeted metabolomics.
- To provide insights into the advantages and disadvantages of each metabolomics strategy.
Main Methods:
- Targeted metabolomics utilized ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) and flow injection-tandem mass spectrometry (FI-MS/MS) for 181 metabolite determinations.
- Non-targeted metabolomics employed UPLC-high resolution (Orbitrap) mass spectrometry (UPLC-HRMS).
- Method performance was assessed using NIST SRM1950 and fish tissue; sequence drift correction algorithms and an online MS2-library (mzCloud) were also evaluated.
Main Results:
- The targeted approach precisely quantified 181 metabolites, including amino acids, biogenic amines, neurotransmitters, nucleobases, carnitines, phosphatidylcholines, and sphingomyelins.
- Positive electrospray ionization and HILIC chromatography maximized features in non-targeted analysis.
- Despite drift correction, targeted metabolomics demonstrated superior precision compared to non-targeted methods.
Conclusions:
- Targeted metabolomics offers higher analytical precision and accuracy for metabolite quantification.
- Non-targeted metabolomics provides broader coverage but requires robust data correction for reliable precision.
- This systematic evaluation clarifies the distinct strengths of targeted and non-targeted metabolomics for biological research.
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