metFragAdducts: data.frame of customizable metFrag adduct types and codes

In WMBEdmands/compMS2Miner: an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets

Description

This dataset is the default adduct type table for the metID.metFrag function. A custom table can be created following this format as more adduct types are added in future versions of the metFrag command line tool. N.B. adduct names must match those supplied to the adduct2mass function internal to the metID.dbAnnotate function.

Usage

data(metFragAdducts)

Format

A data frame with 9 rows and 3 columns

Details

1. adduct adduct name string must match that supplied to adduct2mass.

2. metFragCode the MetFrag command line tool code for the adduct.

3. mode polarity. must be either 'pos' or 'neg'.

Source

http://c-ruttkies.github.io/MetFrag/projects/metfragcl/

WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.