Description Usage Arguments Author(s) Examples
calculate the m/z of adducts
1 | mz_transform(M, adduct, polarity=c('pos', 'neg'))
|
M |
a vector of exact mass. |
adduct |
a vector of adducts. These adducts need to be |
formula |
sdf |
polarity |
'pos' or 'neg' |
Zhiwei Zhou zhouzw@sioc.ac.cn
1 2 | mz_transform(M = 123.2324, adduct = c('[M+H]+', '[M+Na]+'), polarity = 'pos')
mz_transform(formula="C2H5OH", adduct = c('M-', '[M-H]-'), polarity = 'neg')
|
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