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.
MS-FINDER - software for structure elucidation of unknown spectra with hydrogen rearrangement (HR) rules
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.
If you would like to discuss with us (for feedback, bug reports, and questions), we would appreciate it if you could do it on https://github.com/systemsomicslab/MsdialWorkbench/issues or https://github.com/systemsomicslab/MsdialWorkbench/discussions (instead of e-mail).
However, if the discussion is something that cannot be done openly by any means, please email [email protected].
- Download and install Visual Studio Community 2022. (In the
Workloadsselection, choose.NET desktop development. ) - Git clone this repo with
git clone https://github.com/mtbinfo-team/MsdialWorkbench.
- Double click
MsdialWorkbench.slnin the cloned repo. - Right-click on
MsdialWorkbenchin the Solution Explorer. - Click
Manage NuGet Packages for Solution.... - Add the
Assembliesfolder in this repo to the Package source:. - Select
Debug vendor unsupportedfrom theSolution Configurationspull-down menu. - Select
MsdialGuiAppfrom theStartup Projectspull-down menu. - Click
▶ MsdialGuiAppbutton on the right side of 8.
Lead developer: Hiroshi Tsugawa (TUAT/RIKEN)
Current main developers: Hiroshi Tsugawa (TUAT/RIKEN), Mikiko Takahashi (RIKEN), and Yuki Matsuzawa (TUAT)
Past developers: Diego Pedrosa (UC Davis), Ipputa Tada (SOKENDAI)
See the tutorial page: https://systemsomicslab.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.