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Topics - Leon

1
MS-DIAL / MS-Finder search parameters
Hello everyone,

I just posted my first topic where I am asking for suggestions about Software for untargeted metabolomics (http://www.metabolomics-forum.com/index.php?topic=1572.new#new). As described in that topic, I already tried several common used softwares like MS-Dial and MS-Finder. The problem for me with MS-Finder is that I do not really trust those results... The main reason is that often the scores of the structure finder results are very low even though I adjusted the minimal score value to be 6 in the parameter settings.

Are any of you using MS-Finder for identification purpose and could anyone help me with this problem?

Leon
2
Other / Software for analysis of untargeted Metabolomics
Hey everyone!

I am currently working on Metabolomics for my bachelor thesis, so i am quite new to this topic.
My latest problem is to find the right software for untargeted Metabolomics. I already tried several of the most common ones but nothing really seems to work for me. I am hoping that some of you could suggest Software that you are using.
The tasks that have to be done are matching precursors to according MS2 spectra (which is called deconvolution i guess?), identification and quantification. I would also use multiple softwares to do this, but the import and export should be compatible.
If there is no other way R could also be an option, but I do not have a lot of experience with R so I would be glad to not use R . :D

Leon