MassHunter Qualitative Analysis lowers the total score when Wiley/NIST20 library has multiple RI values. Thoughts?

Hi!
I am using MassHunter Qualitative Analysis (v10) custom workflow (Compound Discovery) with the Wiley12th Edition/NIST20 library. 

Issue 1 - When there is no RI value in the library, this lowers the total score by a significant amount. 

Issue 2 - When there are multiple RI values in the library for a given compound (see image below), this also lowers the total score by a significant amount.

In the Compounds List, there are RI (Lib) values of '0', '1' and '2' that appear to be error codes (?)

'0' when there are no RI values entered in the library.

'1' and '2' when there are multiple RI values in the library for a given compound. 

It is as though the software doesn't know how to score when there are multiple RI values for a given compound (i.e. CAS number). 

Has anyone else experienced this? Is there any way around this?

Thanks!

Danielle

Parents
  • Hello  ,

    There are some known issues with current versions of Qual being able to extract the RI information from the NIST libraries. Currently if you need to use RI information from NIST libraries the best option is to use Unknowns Analysis for compound discovery workflows. Note that at this time the only RI value MassHunter retrieves from NIST is the value for Semi-standard non-polar columns. There is currently not an option to use any other RI values.

Reply
  • Hello  ,

    There are some known issues with current versions of Qual being able to extract the RI information from the NIST libraries. Currently if you need to use RI information from NIST libraries the best option is to use Unknowns Analysis for compound discovery workflows. Note that at this time the only RI value MassHunter retrieves from NIST is the value for Semi-standard non-polar columns. There is currently not an option to use any other RI values.

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