Hi all

I'm finishing my PhD soon and am at a stage were I have to analyse samples from cells that have been exposed to toxins. We use Xcalibur and MSconverter (in combination with MZmine).

My problem is that I'm working off a relatively small in-house database for annotation, so I haven't "found" my peak yet - (I know most of the details for my metabolite of interest - m/z, RT etc.).

I've tried MZmine 2.31 but can only do online searches individually (CAREMA comes back with an errors even after installing R and honesty I've fought so much with it I think I'd rather try an alternative). I've now played around with Mass++ but I keep getting an error "failed to get instrument list".

Have I made a mistake during installation or do I need a plug-in for this (sorry I'm also not the most tech savvy individual, but know a little bit).

I would like to use MZmine, XCMS online or Mass++ for annotation of peaks in multiple samples.

Alternatively I also have MET-COFEA, however I believe that it does not support .raw files and I have had no luck trying to find the file converters suggested.

Are there more user friendly software freely available?

Thank you in advance for any help or suggestions

Kind regards

Myndert