transformMF: Transform a molecular formula

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

Transform a molecular formula

Description

Transform a molecular formula

Usage

transformMF(
  MF,
  transformation = "M - [O] + [NH2]",
  transformation_rules_table = transformation_rules()
)

Arguments

MF	molecular formula to transform
transformation	transformation to apply
transformation_rules_table	transformations table containing available transformations rules. Defaults to transformation_rules().

Details

NA will be returned if the molecular formula cannot be transformed.

Value

A transformed molecular formula.

Examples

transformMF('C4H5O5')
transformMF('C4H5N',transformation = 'M - [OH] + [NH2]')

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