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Updated: Nov 27, 2025
A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
SmartPeak Automates Targeted and Quantitative Metabolomics Data Processing
Svetlana Kutuzova1, Pasquale Colaianni1, Hannes Röst2,3,4
1Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kemitorvet 220, Lyngby 2800, Denmark.
Abstract:
Technological advances in high-resolution mass spectrometry (MS) vastly increased the number of samples that can be processed in a life science experiment, as well as volume and complexity of the generated data. To address the bottleneck of high-throughput data processing, we present SmartPeak (https://github.com/AutoFlowResearch/SmartPeak), an application that encapsulates advanced algorithms to enable fast, accurate, and automated processing of capillary electrophoresis-, gas chromatography-, and liquid chromatography (LC)-MS(/MS) data and high-pressure LC data for targeted and semitargeted metabolomics, lipidomics, and fluxomics experiments. The application allows for an approximate 100-fold reduction in the data processing time compared to manual processing while enhancing quality and reproducibility of the results.
