isotopePossible: Molecular formula isotopic possiblity

In jasenfinch/mzAnnotation: Tools for Putative Annotation of Electrospray Ionisation High Resolution Mass Spectrometry Data

Molecular formula isotopic possiblity

Description

Check if an isotope is possible for a vector of molecular formulas.

Usage

isotopePossible(MF, isotope = "13C", isotope_rules_table = isotope_rules())

Arguments

MF	a character vector of molecular formulas
isotope	the isotope to check
isotope_rules_table	tibble containing available isotopic rules. Defaults to isotope_rules().

Value

A boolean vector specifying if the specified isotope is possible for the molecular formulas.

Examples

isotopePossible(c('C12H22O11','H2O'))

jasenfinch/mzAnnotation documentation built on Feb. 25, 2023, 1:27 a.m.