Calculate accurate mass-to-charge ratio (m/z)

Common mass spectrometry tools described in John Roboz (2013) <doi:10.1201/b15436>. It allows checking element
isotopes, calculating (isotope labelled) exact monoisitopic mass, m/z values and mass accuracy, and inspecting possible contaminant mass peaks,
examining possible adducts in electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI)
ion sources.

Yonghui Dong

MSbox

Mass Spectrometry Tools

mz function

<dl><dt>m</dt>
<dd>chemical formula of an ion, case insensitive</dd>
<dt>z</dt>
<dd>charge</dd>
<dt>caseSensitive</dt>
<dd>if case sensitive is `FALSE` (default), the elements are seperated by numbers.
for instance, Carbon dioxyde can be written as 'c1o2' or any combination of the two elements in lower or
upper cases. However, the number of elements should be clearly stated in the chemical formula. if case
sensitive is `TRUE`, the elements are seperated by upper case letters. For instance, Carbon dioxyde must
be written as 'C1O2' or `CO2`. You don't meed to write the number of the element if it is 1.</dd></dl>

Arguments

Author

Calculate accurate mass-to-charge ratio — mz

<dl>

<dt>m</dt>
<dd>chemical formula of an ion, case insensitive</dd>


<dt>z</dt>
<dd>charge</dd>


<dt>caseSensitive</dt>
<dd>if case sensitive is `FALSE` (default), the elements are seperated by numbers.
for instance, Carbon dioxyde can be written as 'c1o2' or any combination of the two elements in lower or
upper cases. However, the number of elements should be clearly stated in the chemical formula. if case
sensitive is `TRUE`, the elements are seperated by upper case letters. For instance, Carbon dioxyde must
be written as 'C1O2' or `CO2`. You don't meed to write the number of the element if it is 1.</dd>

</dl>

mz: Calculate accurate mass-to-charge ratio

Description

Usage

Arguments

Author

Examples