How to do manual annotation in metabolomics June 07, 2018, 12:22:55 PM > 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 Quote Selected
Re: How to do manual annotation in metabolomics Reply #1 – June 08, 2018, 05:23:22 AM 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. Quote Selected