SmartPeak

SmartPeak automates processing and quantitative analysis of metabolomics, lipidomics, and fluxomics datasets generated by capillary electrophoresis (CE), gas chromatography (GC), liquid chromatography–mass spectrometry(/MS), and high-pressure liquid chromatography (HPLC) to support high-throughput, reproducible mass spectrometry data analysis.

Key Features:

• Automation and Efficiency: Automates data processing for CE, GC, LC-MS(/MS), and HPLC and reduces processing time by approximately 100-fold compared to manual methods.
• Accuracy and Quality: Provides fast and accurate analysis that enhances reproducibility of results across experimental setups.
• Versatility: Supports targeted and semi-targeted metabolomics and is applicable to lipidomics and fluxomics studies.
• Integration with OpenMS: Integrates with the OpenMS toolkit to leverage established algorithms and enable scalable data processing.

Scientific Applications:

• Metabolomics: Processing and quantitative analysis of targeted and semi-targeted metabolomics datasets acquired by CE, GC, LC-MS(/MS), and HPLC.
• Lipidomics: Analysis of lipidomics datasets generated by chromatography-coupled high-resolution mass spectrometry techniques.
• Fluxomics: Processing of MS-based fluxomics datasets to support quantification of metabolic fluxes.

Methodology:

Automates processing of CE-, GC-, LC-MS(/MS), and HPLC data using advanced algorithms and integrates with the OpenMS toolkit for large-scale data handling.