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Topic: Best credential feature recovery from LC-MS with QExactive (Read 466 times) previous topic - next topic

Best credential feature recovery from LC-MS with QExactive

I'm curious if anyone using an LC-coupled QExactive workflow has a set of XCMS parameters they are happy with for recovering features that could ultimately be credentialed (to borrow terminology from Mahieu et al*). This paper has published some optimized parameters for XCMS, but I wonder if they need to be adjusted for the QExactive and if so, how (lowering ppm window significantly is one guess). I also have to bear in mind that my experiment won't involve isotopic credentialing, so the optimization in the paper may not be appropriate for a less initially rigorous discovery platform. I am much more used to working with apLCMS than XCMS, so I apologize if I am treading on old territory with this question.

*Credentialing Features: A Platform to Benchmark and Optimize Untargeted Metabolomic Methods, NG Mahieu et al, Anal Chem 2014