The program supports data processings for any type of chromatography / scan type mass spectrometry data, and the assembly is licensed under the CC-BY 4.0. Please contact Hiroshi Tsugawa ([email protected]) for feedback, bug reports, and questions.

The program supports molecular formula prediction, metabolie class prediction, and structure elucidation for EI-MS and MS/MS spectra, and the assembly is licensed under the CC-BY 4.0. Please contact Hiroshi Tsugawa ([email protected]) for feedback, bug reports, and questions.

1. Download and install Visual Studio Community 2022. (In the Workloads selection, choose .NET desktop development. )
2. Git clone this repo with git clone https://github.com/mtbinfo-team/MsdialWorkbench.

3. Double click MsdialWorkbench.sln in the cloned repo.
4. Right-click on MsdialWorkbench in the Solution Explorer.
5. Click Manage NuGet Packages for Solution....
6. Add the Assemblies folder in this repo to the Package source:.
7. Select Debug vendor unsupported from the Solution Configurations pull-down menu.
8. Select MsdialGuiApp from the Startup Projects pull-down menu.
9. Click ▶ MsdialGuiApp button on the right side of 8.

Lead developer: Hiroshi Tsugawa (TUAT/RIKEN) Current main developers: Hiroshi Tsugawa (RIKEN), Ipputa Tada (SOKENDAI), and Yuki Matsuzawa (RIKEN) Past developers: Diego Pedrosa (UC Davis)

See the tutorial page: https://mtbinfo-team.github.io/mtbinfo.github.io/

The LBM (*.LBM2) file contains the in silico MS/MS spectra of lipids. There are currently three files named with 'FiehnO (Oliver Fiehn laboratory)', 'AritaM (Makoto Arita laboratory)', and 'SaitoK (Kazuki Saito laboratory)'. These files contain the same MS/MS spectra information but have different predicted retention times which were optimized for the indivisual method. One of the '.LBM' files which contains lipid's in silico MS/MS should be also in the same folder as 'MSDIAL.exe' for Lipidomics project.

MRMPROBS software suite is sutable for targeted metabolomics and lipidomics, and it also supports MRM/SRM data. http://prime.psc.riken.jp/compms/mrmprobs/main.html

The source code is licensed under GNU LESSER GENERAL PUBLIC LICENSE (LGPL) version 3. See LGPL.txt for full text of the license. This software uses third-party software. A full list of third-party software licenses in MsdialWorkbench is in the file THIRD-PARTY-LICENSE-README.txt.