Description Usage Arguments Author(s) See Also Examples
View source: R/Utils_adduct_calc.R
Create ion formula from neutral formula and adduct
This function creates an ion formula from a neutral chemical formula and a valid adduct defintion, e.g. [M+H]+
1 | create_ion_formula(chem_formula, adduct)
|
adduct |
adduct definition, e.g. [M+H]+ |
exact_mass |
neutral exact mass |
Michael Witting, michael.witting@helmholtz-muenchen.de
1 2 | library(lipidomicsUtils)
create_ion_formula("C6H12O6", "[M+H]+")
|
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