adducts: Adduct formation rules

In jasenfinch/mzAnnotation: Tools for Putative Annotation of Electrospray Ionisation High Resolution Mass Spectrometry Data

Adduct formation rules

Description

Formation rules for electrospray ionisation adducts

Usage

adduct_rules()

adduct_names()

Format

A tibble containing 58 rows and 6 columns

Name

Adduct name

Charge

Charge added

xM

Number of M needed

Add

Mass value change

Nelec

Electron change

AddAt

pseudo formula of the atoms to be added to the molecular formula of one M

RemAt

pseudo formula of the atoms to be removed to the molecular formula of one M

AddEx

pseudo formula of the atoms to be added to the final ionisation product molecular formula

RemEx

pseudo formula of the atoms to be removed to the final ionisation product molecular formula

Rule

Structural rule for formation

Examples

adduct_names()

adduct_rules()

jasenfinch/mzAnnotation documentation built on Feb. 25, 2023, 1:27 a.m.