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Updated: Jan 28, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Advancing untargeted metabolomics using data-independent acquisition mass spectrometry technology
Ruohong Wang1,2, Yandong Yin1, Zheng-Jiang Zhu3
1Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, 200032, China.
Data-independent acquisition (DIA) coupled with liquid chromatography-mass spectrometry (LC-MS) offers powerful untargeted metabolomics. This review covers DIA principles, data analysis, and its broad application potential in biological research.
Area of Science:
- Biochemistry
- Analytical Chemistry
- Systems Biology
Background:
- Metabolomics provides quantitative insights into biological systems.
- Advancements in mass spectrometry (MS) have driven metabolomics research.
- Liquid chromatography-mass spectrometry (LC-MS) with data-independent acquisition (DIA) is a key technology.
Purpose of the Study:
- To introduce the principles of common DIA techniques.
- To summarize and compare data analysis strategies for DIA-based untargeted metabolomics.
- To highlight the potential of DIA in metabolomics.
Main Methods:
- Review of fundamental principles of DIA techniques (MS^E, AIF, SWATH, MSX).
- Comparison of data analysis strategies for metabolite identification and quantification.
- Discussion of the advantages of DIA for untargeted metabolomics.
Main Results:
- DIA techniques enable acquisition of all MS2 spectra.
- High quantitative accuracy is achievable with DIA methods.
- Established data analysis workflows facilitate metabolite profiling.
Conclusions:
- DIA-LC-MS is a powerful platform for untargeted metabolomics.
- The comprehensive data acquisition and quantitative accuracy of DIA are significant advantages.
- DIA technology is poised for widespread adoption in biological and medical research.
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