All functions 


Combine chemical formulae 

Retrieve names of supported adducts 

Calculate exact mass 

Check if one formula is contained in another 

Convert migration times to effective mobility 

2point correction of RIs 

Count elements in a chemical formula 

Convert retention times to retention indices 

Get names of internal standard mixes provided by the package 

Get definitions for internal standards 

Definitions of isotopic substitutions 

Identfying isotopologue peaks in MS data 

Calculate masstocharge ratio 

Calculate neutral mass 

Create chemical formula from a named vector 

Standardize a chemical formula 

subtract two chemical formula 