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Topic: How to do manual annotation in metabolomics (Read 228 times) previous topic - next topic

  • AdrianaM
  • [*]
How to do manual annotation in metabolomics
> Cordial greeting. Currently I dont know how to perform the manual annotation. I want to find my target compound epicatechin in my data, however when I check the peak list and retention times I get several data like 289.1706, 289.0456, 289.5678 and for each a different retention time.  I went to data bases and I found  

> epicatechin  
> [M - H]- (m/z) MS/MS (m/z)  
> 289         245,205,179 
> >
> But I cant see those ms/ms values in my data. I mean, the ms/ms do not match with 245,205 and 179.  What can I do to resolve this compound? I have seen many people reporting metabolites based on in silico information, and I dont know how can they
>  get that. 
>
 Thanks for your help 

> Adriana 
  • Universidad de Antioquia

  • Peradiskic
  • [*]
Re: How to do manual annotation in metabolomics
Reply #1
Based on what you provided looks like you do not have epicatechin in your sample.If you provide some actual spectra I might be able to help more.