mz_transform: mz_transform

In JustinZZW/ImmsTools: Some tools for ion mobility mass spectrometry data processing

Description

calculate the m/z of adducts

Usage

mz_transform(M, adduct, polarity=c('pos', 'neg'))

Arguments

M	a vector of exact mass.
adduct	a vector of adducts. These adducts need to be
formula	sdf
polarity	'pos' or 'neg'

Author(s)

Zhiwei Zhou [e-mail]

Examples

mz_transform(M = 123.2324, adduct = c('[M+H]+', '[M+Na]+'), polarity = 'pos')
mz_transform(formula="C2H5OH", adduct = c('M-', '[M-H]-'), polarity = 'neg')

JustinZZW/ImmsTools documentation built on July 9, 2019, 9:32 a.m.