Data sets for isotope pattern grouping of LC-HRMS peaks with package nontarget. Based on a vast set of PubChem molecular formulas, quantized (a) m/z, (b) m/z differences, (c) intensity ratios and (d) marker centroids of simulated centroid pairs are listed for different instrument resolutions.
Package: | nontargetData |
Type: | Package |
Version: | 1.0 |
Date: | 2014-07-22 |
License: | GPL-3 |
Martin Loos, Francesco Corona Maintainer: Martin Loos <Martin.Loos@eawag.ch>
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