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Title: Software for generating deisotoped and charge state deconvoluted MS1 peaks
Post by: rays on February 12, 2020, 04:46:04 PM

Hello All,

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

Title: Re: Software for generating deisotoped and charge state deconvoluted MS1 peaks
Post by: Jan Stanstrup on February 13, 2020, 02:23:11 AM

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.

Title: Re: Software for generating deisotoped and charge state deconvoluted MS1 peaks
Post by: rays on February 13, 2020, 11:22:37 AM

Thanks for the information, much appreciated

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Software => Other => Topic started by: rays on February 12, 2020, 04:46:04 PM