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Topic: Tables (Read 88 times) previous topic - next topic

Tables

Dear Developers
In the "Show ion table" the functions "Annotated Compound Table" and "Spot Relation Table" are not clear to me. My difficulty is to understand exactly what they refer to and how to use them.
thanks for your time
Andrea

 

Re: Tables

Reply #1
Dear Andrea:

"Annotated Compound Table"
This is actually the utility to check the duplicated annotations in the result.
Currently, "Identified" and "Annotated" mean the ones of "Ref.matched" and "Suggested", respectively. (sorry, I will fix the header name accordingly in the next version)
Num spots means, for example, if the number is 3, three peaks have the same InChIKey (actually, based on the first 14 characters) information in the result.

"Spot Relation Table"
Actually, each peak spot is linked to other spots by some properties (within similar retention times):
(1) same metabolite, but different adduct forms
(2) similar chromatogram peak shape
(3) the precursor ion peak is included in the MS/MS spectrum of higher'm/s peak
(4) similar metabolic profiles.
You can check the linkages by the spot relation table.
Thanks,

Hiroshi