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Can MassHunter Unknowns Pull RI data from different GC Column Types?

william.mcgrath

The MassHunter Unknowns software can automatically pull the retention index numbers from NIST library matches for the "semi-standard non-polar" GC column's data.   Is there a way in the software, or with maybe a custom script, to have MassHunter pull a different type of column's index number so you can use this data with a different kind of column?   

Another question might be, when the Mass Hunter Library Editor opens the NIST2020.L folder, how it is picking which field is the "Retention Index" from the .L dataset?

Also, does anyone have experience using MassHunter along side the NIST GC Index library?

Thanks!

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    If you go to Method Edit -> Advanced -> Library Search and scroll to column that says Retention Index Type you can change the column type in new version of Quant 12.1. But like Howard is saying its not working correctly. But I have figured out what its doing wrong. 

    For example if you search for polar column and the NIST hit has polar column entry it will show that entry. If the NIST does not have a polar column entry but it has a semi-standard non-polar entry it will show that one. So basically if it doesn't have entry you want it will just show whatever other entry it does have. Not ideal. 

    I've tried many work arounds. The only promising way I found was writing scripts to import RI into Library Editor software but even this isn't ideal because you still have to get the mass spectra into your library too. 

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  • 0

    If you go to Method Edit -> Advanced -> Library Search and scroll to column that says Retention Index Type you can change the column type in new version of Quant 12.1. But like Howard is saying its not working correctly. But I have figured out what its doing wrong. 

    For example if you search for polar column and the NIST hit has polar column entry it will show that entry. If the NIST does not have a polar column entry but it has a semi-standard non-polar entry it will show that one. So basically if it doesn't have entry you want it will just show whatever other entry it does have. Not ideal. 

    I've tried many work arounds. The only promising way I found was writing scripts to import RI into Library Editor software but even this isn't ideal because you still have to get the mass spectra into your library too. 

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