Several tools that convert molecular formulas into useful values for mass spectrometry applications. This includes parsing formulas, calculating monoisotopic masses, and building chemical libraries for targeted mass spectrometry applications. In addition, functions will enumerate chemical isotopes, calculate the isotopic probability distributions, and perform correction for natural isotope abundance.
Package details 


Maintainer  
License  MIT + file LICENSE 
Version  0.0.1 
URL  https://github.com/wmoldham/mzrtools 
Package repository  View on GitHub 
Installation 
Install the latest version of this package by entering the following in R:

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