annotateBiotransf: Single Biotransformation Annotator
In MAIT: Statistical Analysis of Metabolomic Data

Description Usage Arguments Value Author(s) See Also

Function annotateBiotransf annotates a spectrum with an already detected Biotransformation.

1	annotateBiotransf(biotransf, diffIndex, spectrum, sigPeaksTable,biotransformationsTable)

`biotransf`	The already detected biotransformation using the `inBetween` function
`diffIndex`	A numeric pointer to the other peak involved in the biotransformation inside the spectrum.
`spectrum`	The spectrum to be annotated.
`sigPeaksTable`	A dataframe obtained from running the `sigPeaksTable` function.
`biotransformationsTable`	Table of biotransformations either read from the bioTable argument or the default MAIT table.

A vector containg the masses of the peaks involved in the biotransformation, their retention time, their annotation and their indices in the signPeaksTable.

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

Biotransformations

MAIT documentation built on Nov. 8, 2020, 5:43 p.m.