|
Introducing Formula Generator |
|
The Formula Generator module allows you to calculate a list of theoretical molecular formulas that best fit an m/z value. Since the number of possible molecular formulas for a given m/z value is closely related to the mass tolerance, elements used and the maximum allowed number of atoms for each isotope, these parameters should always be carefully evaluated before a generation start. The m/z value can either be manually entered or automatically taken from any spectral peak in Database Manager or the Chromatogram Processor. The Formula Generator module also allows the calculation of the isotopic pattern for any generated formula. |
|
Read more...
|
|
|
Formula Generation from a Peak |
|
Mass Frontier allows you to calculate the possible elemental composition for any spectral peak displayed in Database Manager and Chromatogram Processor windows by simple peak picking. The advantage of this method compared to manual entering of the m/z value is that all the decimal places will be accurately transferred to Formula Generator and the m/z tolerance value will be automatically calculated from the source spectra if this option is enabled in the Acquired from Source check box. |
|
Read more...
|
|
|
Formula Generator Options |
|
Formula Generator options can be used to speed up calculations, restrict the number of possible formulas and set the charge state and polarity. |
|
Read more...
|
|
|
Formula Generator 
