smiles2MonoMassForm: Convert SMILES code to monoisotopic mass and formula

Description Usage Arguments Value

Description

Convert SMILES code to monoisotopic mass and formula

Usage

1

Arguments

SMILES

character vector of SMILES codes to convert

Value

a named numeric vector of same length as the SMILES input containing the monoisotopic mass(es) and named using the formula(e).


WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.