Biotransformations: Biotransformations of the significant data contained in a...
In MAIT: Statistical Analysis of Metabolomic Data

Description Usage Arguments Value Author(s) See Also Examples

This function takes a MAIT-class object having significant features already detected and looks up for biotransformations between them. MAIT has a default biotransformation table that will be used if no other table is specified via the bioTable input parameter.

Biotransformations(MAIT.object = NULL, 
                   peakPrecision = 0.005,
                   bioTable = NULL, 
                   adductTable = NULL,
                   adductAnnotation = FALSE)

`MAIT.object`	A MAIT-class object where significant features have already been found.
`peakPrecision`	Maximum difference between the peak masses differences and the values shown in bioTable to be considered as a biotransformation. As default the value is 0.005 Da.
`bioTable`	Table containing the biotransformations to be looked for in the signData input. By default it is taken the MAIT-class biotransformations table.
`adductTable`	Table containing the adducts to be looked for in the signData input. By default it is taken the MAIT-class positive adducts table. If this argument is set to "negAdducts", then the default table for negative adducts is taken instead. It is possible to use a user-defined adduct table
`adductAnnotation`	If it is set to TRUE, both adduct and Biotransformations annotation stages are performed.

A MAIT-class object with the updated biotransformations slot

Francesc Fernandez, francesc.fernandez.albert@upc.edu

spectralAnova spectralTStudent

data(MAIT_sample)
MAIT<-spectralSigFeatures(MAIT,p.adj="fdr",parametric=TRUE)
MAIT<-Biotransformations(MAIT.object = MAIT, peakPrecision = 0.005)
MAIT@FeatureInfo@biotransformations; #Detected Biotransformations