DNMS2Purifier is a bioinformatic solution that purifies chimeric MS/MS spectra from LC-MS/MS-based untargeted metabolomics in Data-Dependent Acquisition (DDA) mode.
The R script DNMS2Purifier.r is the main program for MS/MS purification, we also provide the script DNMS2Purifier_model_generation.r for customized model training.
The program is written in R (ver 4.2.1). The user manual is provided.