LCMS TNO DECO

LCMS TNO DECO preprocesses high-resolution LC/HRMS data by selecting informative mass-over-charge (m/z) channels to improve deconvoluted mass spectra for downstream quantification and identification.

Key Features:

• Informative m/z Channel Selection: Uses a metric derived from errors in isotopic distribution patterns and the quality of signals within predefined mass chromatogram blocks to pre-select informative m/z channels.
• Data Clean-Up: Maintains intensity counts from m/z channels associated with molecular ions, adducts, 13C-isotopes, and multiply charged ions while eliminating non-informative m/z channels.
• Automatic Processing: Automates removal of irrelevant m/z channels from deconvoluted mass spectra as an alternative to peak picking and de-isotoping without discarding valuable information.

Scientific Applications:

• Quantification and Identification: Enhances downstream compound quantification and identification in complex samples by retaining informative m/z channels.
• Data Integrity: Improves accuracy and reliability of mass spectra by removing non-informative m/z channels while preserving signal components relevant to analytes.

Methodology:

Evaluates isotopic distribution patterns and signal quality within specific mass chromatogram blocks to inform selection of informative m/z channels for cleaning deconvoluted mass spectra.