HDPairFinder is a bioinformatics software to effectively recognize hydrogen and deuterium labeled compounds in untargeted LC-MS analysis.
The source code of HDPairFinder can be freely downloaded on this GitHub release page.
Demo data can be freely downloaded on this Demo data page
To run HDPairFinder, R version 4.2.0 or above is required and we recommend using RStudio.
- Extraction of H/D-labeled chemical features
- Alignment
- Evidence-based missing value imputation
- Putative compound annotation
- Single import (a single mzML or mzXML file)
- Batch import (mzML or mzXML files)
- Single export (a single CSV pair table)
- Batch export (aligned CSV pair table)
Detailed instructions on HDPairFinder can be found in HDPairFinder user manual.