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Abstract

Summary

Liquid chromatography–mass spectrometry is widely used in lipidomics, metabolomics, and proteomics, enabling rapid and accurate profiling of molecules. However, retention time (RT) is sensitive to chromatographic conditions such as temperature or column aging, resulting in RT shifts. The RT shifts hinder peak alignment, thereby undermining the comparability of datasets.

In this work, we developed RT Corrector, an automated tool that generates correction models and applies them to .mzML data files. In our test dataset, RT Corrector significantly reduced RT variance and outperformed the XCMS PeakGroup method.

EAGE Publications BV © 2025 The Authors © European Association of Geoscientists and Engineers
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/content/papers/10.3997/2214-4609.202533309
2025-09-07
2026-01-23

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References

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/content/papers/10.3997/2214-4609.202533309
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RT Corrector: Accurate Correction of Retention Time Shifts in LC-MS Data
Conference Proceedings 2025, 1 (2025); https://doi.org/10.3997/2214-4609.202533309
/content/papers/10.3997/2214-4609.202533309
/content/papers/10.3997/2214-4609.202533309
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