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.
Martin Loos, Francesco Corona Maintainer: Martin Loos <[email protected]>
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.