assignation_pos_HMDB: HMDB metabolites in positive ionization

Description Usage Arguments Value Examples

View source: R/HMDB_metabolites.R

Description

assignation_pos_HMDB is a function to identify the features in negative ionization. It assumes protonation of molecules (M - H) from the feature table and compares with mass of metabolites contained in the The Human Metabolome Database HMDB_db.

Usage

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assignation_pos_HMDB(feature_table)

Arguments

feature_table

A data frame containing feature in rows and samples in columns. A column called "mz" is required with the corresponding mass of each feature.

Value

The same feature table with two extra column with matched HMDB codes and metabolites. More than one assignation is allowed.

Examples

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## Not run: 
FT <- assignation_pos_HMDB(feature_table)
head(FT)

## End(Not run)

sipss/NIHSlcms documentation built on May 13, 2021, 6:19 p.m.