MS-DIAL was launched as a universal program for untargeted metabolomics that supports multiple instruments (GC/MS, GC/MS/MS, LC/MS, and LC/MS/MS) and MS vendors (Agilent, Bruker, LECO, Sciex, Shimadzu, Thermo, and Waters). Common data formats such as netCDF (AIA) and mzML, can also be managed in our project. In addition, we released several MSP files including both EI- and MS/MS spectra as a ‘start-up kit’. Moreover, MS-DIAL internally has a version of Fiehn lab’s GC/MS database (oriented by FAME RI index), and in silico retention time- and MS/MS database for LC/MS/MS based lipidomics. The isotope labeled tracking can also be executed in LC/MS project.
* spectral deconvolution for both GC/MS and data-independent MS/MS, * streamlined criteria for peak identification, * support of all processing steps from raw data import to statistical analysis
MS-DIAL console tool executable is named MsdialConsoleApp
module spider ms-dial to find out what environment modules are available for this application.
- HPC_MS-DIAL_DIR - installation directory