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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
Published on: May 20, 2013
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Nontargeted modification-specific metabolomics study based on liquid chromatography-high-resolution mass spectrometry
Weidong Dai1, Peiyuan Yin, Zhongda Zeng
1Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, China.
Analytical Chemistry
|September 5, 2014
Summary
This study introduces nontargeted modification-specific metabolomics for profiling modified metabolites. The method enhances systems biology by identifying previously unknown modified compounds in human urine.
Area of Science:
- Systems Biology
- Metabolomics
- Analytical Chemistry
Background:
- Gene and protein modifications are well-studied in systems biology.
- Metabolite modifications, however, remain under-explored using omics approaches.
- A gap exists in comprehensively analyzing modified metabolites.
Purpose of the Study:
- To develop a general strategy for nontargeted profiling of modified metabolites.
- To establish "nontargeted modification-specific metabolomics" for systems biology.
- To identify and characterize modified metabolites in biological samples.
Main Methods:
- Combined in-source collision-induced dissociation liquid chromatography-mass spectrometry (LC-MS) with global nontargeted LC-MS metabolomics.
- Utilized characteristic neutral loss fragments specific to common modifications like acetylation and sulfation.
- Developed the method using human urine as a model system.
Main Results:
- Successfully detected specific neutral loss fragments for acetylation, sulfation, glucuronidation, glucosidation, and ribose conjugation.
- Applied the method to profile urine from liver cirrhosis patients, identifying approximately 900 features.
- Identified modified endogenous metabolites and xenobiotics, including compounds absent from traditional databases.
Conclusions:
- Nontargeted modification-specific metabolomics provides a novel strategy for metabolite analysis.
- This approach expands the scope of metabolomics by enabling the identification of unknown modified compounds.
- Opens new avenues for systems biology research by offering a deeper understanding of metabolic modifications.
