positive.adinfo: Default list of positive charged adducts

In cliqueMS: Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data

Description

This is a sorted list of adducts ordered by adducts with charge > 1, adducts with charge = 1 and number of molecules = 1, and adducts with number of molecules > 1. Each of the tree groups of adducts is sorted from smaller to bigger mass difference

Usage

positive.adinfo

Format

This is a dataset of 39 rows and 5 columns, corresponding to 39 different adducts. Column 'adduct' contains adduct names, column 'log10freq' contains the log10 frequency of that adduct in the list, column 'massdiff' contains the mass difference of that adduct, column 'nummol' has the number of molecules of that adduct and column 'charge' has the charge of that adduct.

cliqueMS documentation built on May 1, 2019, 6:32 p.m.