We have been building a compound library in-house to use with our metabolomics methods, and are at the point where we would like to use the library in MS-DIAL for data analysis. When our library is loaded into MS-DIAL none of the following information populates: Metabolite Name, Formula, InChIKey. The library is in MSP format, and should have all of this information present.
In an attempt to at least get metabolite names to populate, I tried to add a .txt file with metabolite name, MS1 m/z, and RT values for identification; however, each time I try to load a .txt file into the program, it crashes. The program closes itself out, and the project is saved with the same parameters as before the .txt file was added. To try and stop this from happening, I loaded the project with no advanced identification settings. Once loaded, I went back to Identification parameters and added the .txt file, but MS-DIAL still crashed. I have tried reinstalling MS-DIAL, which has also not helped.
Has anyone else had issues loading their method specific MSP libraries into MS-DIAL?
I have tried this with as few as 1 sample and 1 blank at a time. The files being analyzed in MS-DIAL are in mzML format, converted from .raw using ProteoWizard. The data was collected on a Thermo Orbitrap Exploris 120.
Any guidance is appreciated!