calc_intact_acyl_mass: Calculation of acyl, alkyl or alkenyl mass (intact fatty acid...

In michaelwitting/lipidomicsUtils: Utility functions for lipidomics

Description

Calculation of acyl, alkyl or alkenyl mass (intact fatty acid or fatty alcohol)

This function calculates the mass of an acyl, alkyl or alkenyl given as shorthand notation, e.g. "18:1(9Z)" and calculates the mass of the respective intact fatty acid or alcohol. Supported modifications are currently hydroxy groups (OH), hydroperoxy groups (OOH), keto groups (O) and amino groups (NH2).

Usage

calc_intact_acyl_mass(x)

Arguments

x	Shorthand notation of a acyl, alkyl, alkenyl (as string), e.g. "18:1(9Z)"

Author(s)

Michael Witting, [e-mail]

See Also

calc_residue_acyl_mass

calc_intact_acyl_formula

calc_residue_acyl_formula

Examples

library(lipidomicsUtils)
calc_intact_acyl_mass("18:1(9Z)")

michaelwitting/lipidomicsUtils documentation built on Nov. 10, 2019, 1:17 a.m.