exactMassOB {ChemmineR}R Documentation

Exact Mass (Monoisotopic Mass)

Description

Computes the exact mass of each compound given.

Usage

exactMassOB(sdfset)

Arguments

sdfset

Any SDFset object.

Value

A vector of mass values.

Author(s)

Kevin Horan

Examples

	library(ChemmineR)
	data(sdfsample)
	mass = exactMassOB(sdfsample)

[Package ChemmineR version 3.40.0 Index]