sorry for late reply: when I have ambiguous identification I check my standard panel, which I run along with unknown samples. This gives me RT info. Also, if ms2 spectra was acquired, I check it against the database (mzCloud for instance). Hope this helps.
I wonder if anyone knows how to deal with the default peak integration in MS-Dial and if that can be changed somehow? I hope that attached image clearly depictures the issues I have: integration of peak in samples (S1-S6) and QCs are nice and clear while in all other samples (like Solvent for example), huge area under very tiny peak is added to overall peak area. This is very obvious when you see chromatograms, but after everything is exported to Excel, it becomes quite a problem. Especially for small peaks. What I do not understand, is what baseline is used to perform integration like this? Obviously, using zero as a baseline is not ideal in chromatography peaks, especially if baseline is drifting. Any suggestions and any explanation/help are welcome!
By the way, I am using MS-Dial for couple of years and in my opinion it is the best Metabolomics/Lipidomics software I tried so far. Great thanks to the developers!
I guess I answer my own question: there was a simple error in the RT library I tried to use - one entry had no RT information. Easy fix, but took me a while to find it. Thanks anyway for this great resource. Have a nice day. Sergei
I am trying to improve identification of metabolites by using RT library as suggested by the MS-Dial tutorial but experiencing something strange: the project does not even start. After I press Finish, there is a pop-up window "Library loading" and after some time it goes back to a project setup window. If I remove that RT library, MS-Dial works as expected. Does anybody have any suggestions?