sumformula_from_CAS {MetabolomicsBasics}

sumformula_from_CAS.

Description

sumformula_from_CAS will try to get a chemical sum formula from a CAS ID.

Usage

sumformula_from_CAS(x = NULL)

Arguments

x

Vector of CAS IDs.

Details

tbd.

Value

A character vector of length input vector.

Examples

## Not run: 
x <- readLines("C:/Users/jlisec/Documents/Francesco Russo/RECTOX/RECTOX_GC-EI-MS_CASRN")
sf <- sumformula_from_CAS(x = x)

## End(Not run)