Create the kegg compound ms1 annotation query engine.

annotationSet {metadna}

R Documentation

Create the kegg compound ms1 annotation query engine.

Description

Usage

annotationSet(kegg,
    precursors = "[M]+|[M+H]+|[M+H-H2O]+",
    mzdiff = "ppm:20",
    excludes = NULL,
    mass.range = NULL);

Arguments

kegg

a set of kegg/pubchem/chebi/hmdb compound data.

precursors

a character vector of the ms1 precursor ion names or a list of the given mzcalculator object models.

mzdiff

the mass tolerance value to match between the experiment m/z value and the reference m/z value which is calculated from the compound exact mass with a given specific ion precursor type.

env

[as Environment]

Authors

BioNovoGene

Value

a data query engine model to run ms1 data search for the kegg metaolite compounds.

clr value class

CompoundSolver

[Package metadna version 1.0.0.0 Index]