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Updated: Aug 5, 2026
07:34
Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)
Published on: March 14, 2013
Mass Spectrometry-Based Chromatographic and Computational Workflows for Biomarker and Therapeutic Target Discovery: A
K Priya1, R Rajesh1, T Abhishek1
1Centre of Excellence in Drug Analysis, Department of Pharmaceutical Analysis, Acharya & B M Reddy College of Pharmacy, Soldevanahalli, Bengaluru, Karnataka, India.
Biomedical Chromatography : BMC
|July 26, 2026
Summary
Identifying biomarkers for precision medicine requires robust analytical and computational methods. This study details high-quality practices for sensitive biomarker profiling using mass spectrometry in biological samples.
Area of Science:
- Biomarker Discovery
- Analytical Chemistry
- Computational Biology
Background:
- Precision medicine relies on identifying reliable biomarkers and therapeutic targets.
- Analytical and computational methods are crucial for biomarker discovery.
- High-quality study design and rigorous quality assurance are essential for success.
Purpose of the Study:
- To outline best practices for sensitive and selective biomarker profiling.
- To review analytical and computational workflows for biomarker identification.
- To discuss the application of AI/ML and regulatory considerations in mass spectrometry.
Main Methods:
- Utilizing various chromatography/mass spectrometry techniques for profiling biological fluids and tissues.
- Implementing sample preparation workflows like solid-phase extraction and derivatization.
- Employing data processing pipelines (XCMS, MZmine) and spectral libraries (HMDB, NIST) for compound identification.
Main Results:
- Detailed performance characteristics of chromatography/mass spectrometry methods are presented.
- Key workflows for sample preparation, data processing, and compound identification are explored.
- The role of AI/ML in mass spectrometry-based peak detection is discussed.
Conclusions:
- Achieving sensitive biomarker profiling demands high-quality study design and analytical rigor.
- Integrated analytical and computational approaches are vital for biomarker and target identification.
- The study provides a comprehensive overview of mass spectrometry workflows for precision medicine.
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