All functions

addElements()

Combine chemical formulae

adductNames() adducts()

Retrieve names of supported adducts

calculateMass()

Calculate exact mass

containsElements()

Check if one formula is contained in another

convertMtime()

Convert migration times to effective mobility

correctRindex()

2-point correction of RIs

countElements()

Count elements in a chemical formula

indexRtime()

Convert retention times to retention indices

internalStandardMixNames()

Get names of internal standard mixes provided by the package

internalStandards()

Get definitions for internal standards

isotopicSubstitutionMatrix()

Definitions of isotopic substitutions

isotopologues()

Identfying isotopologue peaks in MS data

mass2mz()

Calculate mass-to-charge ratio

mz2mass()

Calculate neutral mass

pasteElements()

Create chemical formula from a named vector

standardizeFormula()

Standardize a chemical formula

subtractElements()

subtract two chemical formula