MetabolomicsBasics (version 1.4.5)

sumformula_from_CAS: 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)

Value

A character vector of length input vector.

Arguments

x

Vector of CAS IDs.

Details

tbd.

Examples

if (FALSE) {
x <- readLines("C:/Users/jlisec/Documents/Francesco Russo/RECTOX/RECTOX_GC-EI-MS_CASRN")
sf <- sumformula_from_CAS(x = x)
}