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Topic: Software for generating deisotoped and charge state deconvoluted MS1 peaks (Read 113 times) previous topic - next topic

Software for generating deisotoped and charge state deconvoluted MS1 peaks

Hello All,

I'm looking for a Software for generating deisotoped and charge state deconvoluted MS1 peaks for metabolite data.
Thanks in advance

Re: Software for generating deisotoped and charge state deconvoluted MS1 peaks

Reply #1
Deconvolution in the sense of one feature/variable per peak doesn't exist out of the box in any software for untargeted LC-MS that I am aware of.

The most common tools for untargeted data would be XCMS+CAMERA or MZmine. There is nothing straight forward about doing this on untargeted data though.
Blog: stanstrup.github.io

 

Re: Software for generating deisotoped and charge state deconvoluted MS1 peaks

Reply #2
Thanks for the information, much appreciated