IsoCorrectoR

IsoCorrectoR corrects mass spectrometry data from stable isotope labeling/tracing metabolomics experiments for natural isotope abundance and tracer impurity.

Key Features:

• MS and MS/MS Data Correction: Corrects data from both MS and MS/MS measurements with any tracer isotope, including 13C, 15N, and 18O.
• Multiple-Tracer Experiment Support: Handles ultra-high resolution MS data from experiments using multiple tracers simultaneously, such as 13C and 15N.
• Output Format Flexibility: Writes correction results to csv format, with Excel file output also supported.

Scientific Applications:

• Stable Isotope Tracing Metabolomics: Enables accurate quantification of metabolite labeling patterns by removing confounding signals from natural isotope abundance and tracer impurity.
• Multi-Tracer Metabolic Studies: Supports complex experimental designs where multiple stable isotope tracers are applied concurrently to trace distinct metabolic pathways.

Methodology:

IsoCorrectoR applies computational correction algorithms to account for natural isotope abundance and tracer impurity in mass spectrometry data; specific algorithmic details are not explicitly stated in the sources.