Single Biotransformation Annotator

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Description

Function annotateBiotransf annotates a spectrum with an already detected Biotransformation.

Usage

1

Arguments

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.

Value

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

Author(s)

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

See Also

Biotransformations

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