Automated extraction of EIC

Hi,

I'm using OpenLab CDS 2.2, build 2.20.484.

I'd like to ask about processing LC-MS runs - some of our methods are processed that EIC is extracted automatically when the run/sequence is opened according to compound list in the processing method. However, when I create a new processing method with similar parameters, I'm unable to make the extraction of EICs automated and it requires manually extracting them for each run individually, which becomes inconvenient for longer sequences. I'm unable to find any option in the processing sequence.

 

Also I'd like to ask regarding reporting, if there's any easy way how add on a report a sum of compounds quantified separately? 

 

Thank you.

Parents
  • In addition of what is saying, 

     

    To sum up different compounds quantified individually, the easiest and straight forward way is to use a named group. You can add a named group in the compound identification table, right-clicking, and selecting add named group. You'll then need to select the compounds which should be part of the group, the amounts will be summed. You can use the MS Quantitative Short/Long report which will report your individual quantified peaks, as well as the groups in a separated table (timed or named groups).

    There is also a table in reporting items on the left which reports peaks,missing peaks or groups together in the same table.

     

    Regarding the EIC extraction:

    There would be EICs extracted automatically when there is a compound identification/quantification in the processing method compound identification list.

    In the revision CDS v2.4, there is an additional way to automatically extract the EICs. With generic MS method (not sample purity), when there is a target mass in the target fields mentioned above, there will be an EIC extracted for each target (but in this case at target mass. Example: if target mass is 311, the EIC will be extracted at 310.7-311.7 with default EIC extraction setting).

Reply
  • In addition of what is saying, 

     

    To sum up different compounds quantified individually, the easiest and straight forward way is to use a named group. You can add a named group in the compound identification table, right-clicking, and selecting add named group. You'll then need to select the compounds which should be part of the group, the amounts will be summed. You can use the MS Quantitative Short/Long report which will report your individual quantified peaks, as well as the groups in a separated table (timed or named groups).

    There is also a table in reporting items on the left which reports peaks,missing peaks or groups together in the same table.

     

    Regarding the EIC extraction:

    There would be EICs extracted automatically when there is a compound identification/quantification in the processing method compound identification list.

    In the revision CDS v2.4, there is an additional way to automatically extract the EICs. With generic MS method (not sample purity), when there is a target mass in the target fields mentioned above, there will be an EIC extracted for each target (but in this case at target mass. Example: if target mass is 311, the EIC will be extracted at 310.7-311.7 with default EIC extraction setting).

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