Convert Precursor m/z to Accurate Mass — convert_precursor_mz2accurate

This function computes the accurate mass from the given precursor m/z and adduct type. It uses specific rules to adjust the provided m/z based on the adduct type, and then calculates the accurate mass of the molecule.

convert_precursor_mz2accurate_mass(
  precursor_mz = 805.559,
  adduct = "(2M-2H+Na)-"
)

Arguments

precursor_mz: A numeric value representing the precursor m/z value. Default is 805.559.
adduct: A character string representing the type of adduct. Possible values include but are not limited to "M+", "M-", and "2M-2H+Na". Default is "2M-2H+Na".

Value

A numeric value representing the accurate mass of the molecule based on the precursor m/z and adduct type.

Author

Xiaotao Shen <xiaotao.shen@outlook.com>

Examples

convert_precursor_mz2accurate_mass(805.559, "(2M-2H+Na)-")
#> [1] 826.5331
convert_precursor_mz2accurate_mass(805.559, "(M-H)-")
#> [1] 804.5512