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Lists of molecular formula and groups may be entered in addition to the sequence. Each molecular formula should be separated by a “,” 

You should end the list of groups by a comma (,) if you want to allow the test of absence of any of the listed atoms (none of the possibilities)

Put the charge in parentheses (+)

Ex: (+)1,(+)2,(+)3

All the groups will be combined and all the resulting possible molecular formula will be tested towards the experimental spectrum. 

Please note that the number of possibilities that will be evaluated will be the multiplication of:

  • the number of groups 1
  • the number of groups 2
  • the number of groups 3
  • the number of groups 4
  • the number of groups 5
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