exactMassOB: Exact Mass (Monoisotopic Mass)

Description Usage Arguments Value Author(s) Examples

View source: R/sim.R

Description

Computes the exact mass of each compound given.

Usage

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exactMassOB(sdfset)

Arguments

sdfset

Any SDFset object.

Value

A vector of mass values.

Author(s)

Kevin Horan

Examples

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

ChemmineR documentation built on Feb. 28, 2021, 2:02 a.m.