Peak List Generation

June 10, 2012, 10:11:56 PM

Hi Guys,

I want to generate a peak list with intensities in respect to the precursor ions so that I can do the MS/MS spectrum Match Analysis. I have got a result output file from metlin which are purely MS/MS. I did the mass search with help of the CAMERA Result and and filtered the ms2 data out of it. The masses in the output file are the precursor ions. I want the peak list and intensities generated by means of xcms so that I can search on Metlin - MS/MS Spectrum Match. I know that we can do by Xcalibur and Mass Frontier but I want to do via XCMS - R.

I am sending the link for Metlin Result File. Its modified but the content are same.
http://http://www.mediafire.com/?416td277ubu75hp

Thanks in advance guys.

Cheers
plasma33

Re: Peak List Generation

Reply #1 – August 01, 2012, 11:58:47 AM

I'm not exactly sure what the question is. Do you want to extract MS/MS data using XCMS in way so that you can use it for the MS/MS spectrum match on METLIN ?