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Updated: Aug 27, 2025

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
Published on: May 20, 2013
Instrument-Agnostizing Methodology for Liquid Chromatography-Mass Spectrometry Systems
Rosalía López-Ruíz1, Sandra Martín-Torres2, Ana M Jiménez-Carvelo3
1Department of Chemistry and Physics, Research Centre for Mediterranean Intensive Agrosystems and Agri-Food Biotechnology (CIAIMBITAL), University of Almeria, Agri-food International Campus of Excellence, CeiA3, Almeria, Spain. rlr468@ual.es.
Standardizing mass spectrometry data creates instrument-agnostic chromatographic signals. This allows for reliable compound quantification across different ultrahigh-performance liquid chromatography platforms using standard retention scores.
Area of Science:
- Analytical Chemistry
- Chromatography
- Mass Spectrometry
Background:
- Mass spectrometry is vital for compound identification, quantification, and structural elucidation.
- Data transfer and comparability issues exist between different mass spectrometry instruments and analysis times.
- A need exists for instrument-independent chromatographic signal analysis.
Purpose of the Study:
- To describe a standardization procedure for mass spectrometry chromatographic signals.
- To achieve instrument-agnostic chromatographic signals.
- To enable the determination of standard retention scores for compound quantification.
Main Methods:
- Standardization of chromatographic signals from mass spectrometry platforms.
- Development of a procedure for instrument-agnostic data.
- Utilizing ultrahigh-performance liquid chromatography (UHPLC) coupled with mass spectrometry.
Main Results:
- A method for generating instrument-agnostic chromatographic signals was established.
- Standard retention scores can be determined from these signals.
- The procedure facilitates compound quantification across diverse mass spectrometry platforms.
Conclusions:
- The described standardization procedure overcomes instrument-specific limitations in mass spectrometry data.
- Instrument-agnostic signals and standard retention scores enhance cross-platform compound quantification.
- This methodology improves the reliability and comparability of results in analytical chemistry.
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