Given a molecular formula, this function computes the mass of the parent
ion, including any M + n peaks due to Br or Cl, and plots it. Intended to
draw the parent ion region for small organic molecules, especially those
with Br or Cl.

utilities

Utility functions for spectroscopy. 1. Functions to simulate
spectra for use in teaching or testing. 2. Functions to process files created by
'LoggerPro' and 'SpectraSuite' software.

Bryan Hanson

SpecHelpers

Spectroscopy Related Utilities

Bryan A. Hanson

qMS function

<dl><dt>f</dt>
<dd>A character string giving the molecular formula of the molecule of
interest. Order of elements does not matter. Elements should be given
as their atomic symbols, e.g. "Br" not "br".</dd>
<dt>xlab</dt>
<dd>A character string giving the x axis label.</dd>
<dt>ylab</dt>
<dd>A character string giving the y axis label.</dd>
<dt>main</dt>
<dd>A character string giving the title of the plot.</dd>
<dt>...</dt>
<dd>Additional arguments to be passed downstream.</dd></dl>

Arguments

Bryan A. Hanson, DePauw University. <a href="/link/hanson%40depauw.edu?package=SpecHelpers&version=0.3.1" data-mini-rdoc="SpecHelpers::hanson@depauw.edu">hanson@depauw.edu</a>

Author

Draw a Simple Mass Spectrum Showing the Parent Ion — qMS

<dl>

<dt>f</dt>
<dd>A character string giving the molecular formula of the molecule of
interest. Order of elements does not matter. Elements should be given
as their atomic symbols, e.g. "Br" not "br".</dd>


<dt>xlab</dt>
<dd>A character string giving the x axis label.</dd>


<dt>ylab</dt>
<dd>A character string giving the y axis label.</dd>


<dt>main</dt>
<dd>A character string giving the title of the plot.</dd>


<dt>...</dt>
<dd>Additional arguments to be passed downstream.</dd>

</dl>

Bryan A. Hanson, DePauw University. <a href='mailto:hanson@depauw.edu'>hanson@depauw.edu</a>

qMS: Draw a Simple Mass Spectrum Showing the Parent Ion

Description

Usage

Value

Arguments

Author

Details

Examples