QC4Metabolomics

QC4Metabolomics monitors untargeted metabolomics data in real-time and retrospectively by tracking user-defined compounds and extracting diagnostic metrics to identify and mitigate analytical problems.

Key Features:

• Real-time and retrospective monitoring: QC4Metabolomics processes files as they are acquired or analyzes existing data retrospectively.
• Compound tracking: The software tracks any user-defined compound(s) and extracts observed m/z, retention time, intensity and peak shape.
• Contaminant monitoring: QC4Metabolomics monitors levels of common or user-defined contaminants.
• Web dashboard: Results are presented on a web dashboard for visualization of quality control metrics.

Scientific Applications:

• Quality control in untargeted metabolomics: QC4Metabolomics detects analytical problems such as loss of m/z calibration, retention time drift and severe ion suppression during liquid chromatography-mass spectrometry acquisition.
• Diagnostic information extraction: The software extracts observed m/z, retention time, intensity and peak shape to assess data quality.

Methodology:

QC4Metabolomics tracks user-defined compounds and extracts diagnostic information including observed m/z, retention time, intensity and peak shape from liquid chromatography-mass spectrometry data.