Getisotopologues

Get the selected isotopologues at certain MS data

Gas/Liquid Chromatography-Mass Spectrometer(GC/LC-MS) Data Analysis for Environmental Science. This package covered topics such molecular isotope ratio, matrix effects and Short-Chain Chlorinated Paraffins analysis etc. in environmental analysis.

Miao YU

enviGCMS

GC/LC-MS Data Analysis for Environmental Science

Thanh Wang

Getisotopologues function

<dl><dt>formula</dt>
<dd>the molecular formula. C12OH6Br4 means BDE-47 as default</dd>
<dt>charge</dt>
<dd>the charge of that molecular. 1 in EI mode as default</dd>
<dt>width</dt>
<dd>the width of the peak width on mass spectrum. 0.3 as default for low resolution mass spectrum.</dd></dl>

Arguments

Get the selected isotopologues at certain MS data — Getisotopologues

<dl>

<dt>formula</dt>
<dd>the molecular formula. C12OH6Br4 means BDE-47 as default</dd>


<dt>charge</dt>
<dd>the charge of that molecular. 1 in EI mode as default</dd>


<dt>width</dt>
<dd>the width of the peak width on mass spectrum. 0.3 as default for low resolution mass spectrum.</dd>

</dl>

Getisotopologues: Get the selected isotopologues at certain MS data

Description

Usage

Arguments

Examples