adducts-funs: Functions to assist adducts and fragments selection

In b2slab/mWISE: Untargeted LC-MS data annotation

Description

Function printAdducts returns a list of all the available adducts and fragments in mWISE for a given polarity.

Function printQM_Adducts returns a list of the default quasi-molecular adducts or fragments of mWISE for a given polarity. These functions can be used to ease the selection of adducts or fragments to be considered during the matching stage.

Usage

printAdducts(pol = c("positive", "negative"))

printQM_Adducts(pol = c("positive", "negative"))

Arguments

pol	Acquisition mode. It can be positive, negative or both.

Value

Function printAdducts returns the complete list of adducts available in mWISE for a given polarity.

Function printQM_Adducts returns the complete list of quasi-molecular adducts available in mWISE for a given polarity.

Examples

Adducts.List <- printAdducts(pol="negative")
Adducts.List <- printQM_Adducts(pol="negative")

b2slab/mWISE documentation built on Feb. 2, 2022, 12:24 a.m.