lfnothias
commented
6 years ago Hi, It is possible to do this using the GNPS export module in MZmine. Check out the following documentation. https://bix-lab.ucsd.edu/display/Public/GNPS+data+analysis+workflow+2.0#GNPSdataanalysisworkflow2.0-MassspectrometrydatapreprocessingwithMZmine2%5CRecommended%5C
Cheers
Hi everyone! So I am new in this website and i'm hoping to find some help regarding the identification of molecules after data processing. So I'm currently using MZmine which i think is doing a great job. The only thing i've done so far is to extract all the MS1 informations to create the final matrix which is later on used for statistycal analysis. I was wondering if it is possible to use only one MSMS file - since I analyse all my samples in MS1 mode - to extract the MS2 informations and use the created matrix just to identify every mass parent (MS1) based on it's fragmentation pattern (which should be extracted in a file) and then try to match this MS2 annotated file with the first one that I used for the statistical analysis. So first of all is it possible to do it and if it is then is there any MSMS database that could be imported to MZmine in order to make the match with the MSMS matrix created from our data, and finally if it is all possible then what are the steps to follow in order to achieve this annotation. I juste hope that my explanation was clear enough, and feel free to ask me more question if you don't really understand. Thanks Djawed