Core Utils for Metabolomics Data

---

Documentation for package ‘MetaboCoreUtils’ version 1.8.0

• DESCRIPTION file.
• User guides, package vignettes and other documentation.
• Package NEWS.

Help Pages

addElements	Combine chemical formulae
adductFormula	Calculate a table of adduct (ionic) formulas
adductNames	Retrieve names of supported adducts
adducts	Retrieve names of supported adducts
calculateKendrickMass	Kendrick mass defects
calculateKm	Kendrick mass defects
calculateKmd	Kendrick mass defects
calculateMass	Calculate exact mass
calculateRkmd	Kendrick mass defects
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
formula2mz	Calculate mass-to-charge ratio from a 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
isRkmd	Kendrick mass defects
mass2mz	Calculate mass-to-charge ratio
multiplyElements	Multiply chemical formulas by a scalar
mz2mass	Calculate neutral mass
pasteElements	Create chemical formula from a named vector
standardizeFormula	Standardize a chemical formula
subtractElements	subtract two chemical formula