UniDec
UniDec performs automated deconvolution, peak detection, and batch processing of intact-protein mass spectrometry (native and denatured) data to quantify and characterize biotherapeutics such as bispecific antibodies and antibody–drug conjugates.
Key Features:
- Fast processing: Handles large, batched intact mass spectrometry datasets to enable rapid analysis.
- Deconvolution and peak detection: Implements deconvolution and peak detection algorithms for accurate mass assignment and quantitation of complex spectra.
- Spreadsheet-driven batch processing: Iterates through a user-defined spreadsheet listing data files and deconvolution and quantitation parameters to perform systematic analysis across multiple datasets.
- Automated reporting: Produces results in spreadsheet format and generates HTML reports summarizing deconvolution, peak detection, and quantitation outputs.
- Customization and extensibility: Allows modification and extension of workflows and calculations to implement customized analyses.
Scientific Applications:
- Bispecific antibody analysis: Measures correct pairing percentage in bispecific antibody datasets for assessment of product heterogeneity and assembly.
- Antibody-drug conjugate (ADC) evaluation: Measures drug-to-antibody ratios (DAR) to quantify conjugation stoichiometry in ADCs.
- Intact protein mass spectrometry characterization: Supports characterization and quantitation of intact proteins from native and denatured MS workflows.
Methodology:
Processes a user-defined spreadsheet listing data files and analysis parameters, and applies deconvolution and peak detection across datasets to generate quantitative outputs and reports.
Topics
Details
- Cost:
- Free of charge
- Tool Type:
- workflow
- Programming Languages:
- Python, C
- Added:
- 1/10/2024
- Last Updated:
- 1/10/2024
Operations
Data Inputs & Outputs
Deisotoping
Publications
Phung W, Bakalarski CE, Hinkle TB, Sandoval W, Marty MT. UniDec Processing Pipeline for Rapid Analysis of Biotherapeutic Mass Spectrometry Data. Analytical Chemistry. 2023;95(30):11491-11498. doi:10.1021/acs.analchem.3c02010. PMID:37478487.
Documentation
User manual
https://github.com/michaelmarty/UniDec/wikiDownloads
- Container filehttps://hub.docker.com/r/michaeltmarty/unidec