.CAL File Generation using RI Runs using AMDIS

January 26, 2014, 01:33:54 PM

Hello,

I have run the 37 FAME Mix from Supelco on a Thermo GC-MS, using Rtx5-sil column, and wish to generate/ assign the Retention Indices to the FAMES using AMDIS or so ? How is it done to generate the .CAL file (from the .netCDF/ .raw files from Thermo with me!) so that I can compare and identify all my compounds run using same conditions (full-scan mode!).

Do I have to (a) search NIST first to assign RIs to these compounds based on their known RIs from similar columns such as DB5, HP5 etc, or
(b) I have to calculate them de novo to be able to identity and assign their RI, and use these values for "other compound" identifications ?, or,
(c) should I use the Hydrocarbon RI .CAL File inbuilt in AMDIS-NIST Library to first generate the RI for these FAMES, first ? But that is not comparable, right ?

Looking forward to your kind advice,

Thanks and regards,
Biswa