1C-O2-1840 PDF
Molecular formula estimation by MOLGEN-MS/MS
The program MOLGEN-MS/MS generates candidate molecular formula from high resolution mass spectrum and production ion spectrum data by determination of two mach values. One mach value (MS MV) was calculated from a similarity of observed and calculated isotope peak distributions. Another mach value (MS/MS MV) was determined from a similarity of observed and calculated mass numbers of all fragments.