ChemmineOB (version 1.10.2)

exactMass_OB: Exact Mass (Monoisotopic Mass)

Description

Computes the exact mass of each compound given.

Usage

exactMass_OB(obmolRefs)

Arguments

obmolRefs

A list of OBMol references ( of class '_p_OpenBabel__OBMol') representing the compounds.

Value

A vector of mass values.

Examples

	molRefs = forEachMol("SMILES","C1CCCCC1\ttest-compound-name",identity)
	exactMass_OB(molRefs)