ar.getone {Rarmec}R Documentation

Interface to query ARMeC

Description

Function to send, retrieve and parse one query to ARMeC. This is equivalent to fill each field of the ARMeC search page:

http://www.armec.org/MetaboliteLibrary/search_by_esi_data.html

In the context of the current package, this function is better used from ar.getlist where parsing actual variables with mixture of both modes is allowed.

Usage

ar.getone(bioSource = "Embryophyta", ionMode = "positive", accuracy = "nominal", measuredMass = NULL, predictedMass = NULL, anyMass = NULL, daughterIon = NULL)

Arguments

bioSource Biological source
ionMode positive or negative
accuracy Nominal mass is only effective for the moment
measuredMass Mass if measured adducts are queried
predictedMass Mass if predicted adducts are queried
anyMass List of masses to be queried
daughterIon Daughter ion mass

Value

Return a matrix/vector containing information of the possible candidates:

ArmecId ARMeC identifier
Name ARMeC name
Adduct ARMeC ionisation product name
MFormula Molecular formula
MWeight Molecular weight
KeggId KEGG identifier
TairId TAIR identifier
Pathway Metabolic pathway(s)

Author(s)

David Enot dle@aber.ac.uk>

See Also

hclust

Examples


### Fetch compounds that have ionisation products of 
### measured nominal mass=193 in the positive mode
ar.getone(measuredMass=193,ionMode="positive")

### same but predicted this time
ar.getone(predictedMass=193,ionMode="positive")


[Package Rarmec version 1.0 Index]