Your Molecular Formula

 
List of allowed groups

FWHM:
Resolution:
Apply Gaussian:
 
Reference version:

FWHM = ΔM
(Peak Full Width at Half-Maximum)

Resolution = M / ΔM

 
 

Javascript Examples

Retrieving information for a molecular formula

<html>
   <head>
      <script type="text/javascript"
         src="http://ajax.googleapis.com/ajax/libs/jquery/1.9.1/jquery.min.js">
      </script>
   </head>
<body>
   <script language="javascript">
      var parameters={
         mf: "C10H20Cl2",
         resolution: 0.001,
         isotopomers: "xy, jcamp"
      };
      $.getJSON('http://www.chemcalc.org/chemcalc/mf', parameters, function(result) {
         document.write(JSON.stringify(result));
      });
   </script>
</body>
</html>

Find possible molecular formula for a specific monoisotopic mass

<html>
   <head>
      <script type="text/javascript"
         src="http://ajax.googleapis.com/ajax/libs/jquery/1.9.1/jquery.min.js">
      </script>
   </head>
<body>
   <script language="javascript">
      var parameters={
         monoisotopicMass: 300, 
         mfRange: "C0-100H0-100O0-10N0-10"
      };
      $.getJSON('http://www.chemcalc.org/chemcalc/em', parameters, function(result) {
         document.write(JSON.stringify(result));
      });
   </script>

</body>
</html>