exactMassOB: Exact Mass (Monoisotopic Mass)

View source: R/sim.R

exactMassOBR 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

	## Not run: 
	library(ChemmineR)
	data(sdfsample)
	mass = exactMassOB(sdfsample)
	
## End(Not run)

girke-lab/ChemmineR documentation built on July 28, 2023, 10:36 a.m.