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Importing RI into Library

Justin_F

Hello, 

Is there anyway to import retention index values into a library file? I have separate databases in spreadsheet format where I want to import retention index into library? I can also do this manually I was just curious. MassHunter supplemental files have a database of RI values from the Flavornet database but there doesn't seem to be a way to use these values without manually putting them in. Thanks for any advice. 

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  • +1

    Hello  ,

    I'm not aware of any built-in function to do this. You can paste cells from Excel into the library editor, so if you can sort your library and spreadsheet the same you could just copy/paste the RI column.

    The only other option would be to write a script. There is one example shipping script that downloads Molfiles from ChemSpider into a library. 

    D:\MassHunter\Scripts\LibraryEdit\DownloadMolfilesFromChemspider.libedit.script

    The example doesn't always work due to changes with the website and their API. But using the SDK I suspect it would be possible to take a CSV or text file with compound names and RI values and import the info to an existing library. 

Reply
  • +1

    Hello  ,

    I'm not aware of any built-in function to do this. You can paste cells from Excel into the library editor, so if you can sort your library and spreadsheet the same you could just copy/paste the RI column.

    The only other option would be to write a script. There is one example shipping script that downloads Molfiles from ChemSpider into a library. 

    D:\MassHunter\Scripts\LibraryEdit\DownloadMolfilesFromChemspider.libedit.script

    The example doesn't always work due to changes with the website and their API. But using the SDK I suspect it would be possible to take a CSV or text file with compound names and RI values and import the info to an existing library. 

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