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Updated: Jan 24, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Untargeted and Semi-targeted Lipid Analysis of Biological Samples Using Mass Spectrometry-Based Metabolomics.
Julie A Reisz1, Connie Zheng1, Angelo D'Alessandro1
1Department of Biochemistry and Molecular Genetics, University of Colorado Denver, Aurora, CO, USA.
Liquid chromatography-mass spectrometry (LC-MS) now integrates unbiased and targeted analyses in one run. This advance enhances throughput for metabolomics and lipidomics studies by overcoming previous technical limitations.
Area of Science:
- Biochemistry
- Analytical Chemistry
- Systems Biology
Background:
- Metabolomics and lipidomics utilize LC-MS for biological system analysis.
- Historically, unbiased (discovery) and targeted (quantitative) LC-MS analyses were performed separately due to technical assay limitations.
Purpose of the Study:
- To combine unbiased and targeted LC-MS analyses into a single analytical run.
- To leverage recent technological advancements in quadrupole-Orbitrap instruments for improved robustness and sensitivity.
Main Methods:
- Utilized advancements in quadrupole-Orbitrap technology for enhanced scan speed and sensitivity.
- Integrated stable isotope dilution (SID) techniques with LC-MS.
- Developed a single-run method combining discovery and targeted analysis.
Main Results:
- Overcame sensitivity limitations of wide-scanning discovery approaches.
- Enabled detection of targeted ions without compromising the broad coverage of discovery scans.
- Achieved improved throughput by consolidating analyses.
Conclusions:
- Recent LC-MS technology enables integrated unbiased and targeted metabolomics/lipidomics.
- Combining methods in a single run overcomes historical limitations and boosts analytical efficiency.
- This integrated approach enhances the study of biological systems.
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