MetaboList (version 2.0)

elemental.formula: List from elemental formula

Description

Obtain a list from elemental formula given in the database. Use internally by the Isotopic.R function. Adaptation from R-package OrgMassSpecR.

Usage

elemental.formula(elemental.formula)

Arguments

elemental.formula

Elemental formula

References

1. R-MetaboList: a flexible tool for metabolite extraction from high-resolution data-independent acquisition mass spectrometry analysis. Metabolites. Soon

2. A Survey of Orbitrap All Ion Fragmentation Analysis Assessed by an R MetaboList Package to Study Small-Molecule Metabolites. Chromatographia. 2018, 81, 981-994.

Examples

# NOT RUN {
#library(MetaboList)
#Reading the library and indicating type of adduct
#Isotopic(library,name=c("M+H"))


# }