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Topic: Choosing metabolites for identification (Read 3976 times) previous topic - next topic

Choosing metabolites for identification

I have a pretty basic question. I have a list of annotated features (adducts and isotopes annotated via CAMERA). I have done the statistical analysis to determine the significantly different compounds between my two (WT and KO) treatments. I would like to get putative identifications for these features.

It seems that a relatively common approach for this is to take only the masses of the annotated features for identification purposes. I would like to use MetExplore for pathway mapping, and it has the convenient function of directly searching MetaCyc and KEGG with exact mass. Can I simply extract the exact masses provided by CAMERA to search the databases? Would this impact the ppm for identification purposes?

MassTRIX is another interesting alternative, because again the compounds are directly linked to MetaCyc or KEGG. In this case I can use the measured m/z and identify compounds, but pathway mapping would be done separately. Can I again rely on my CAMERA output and identify only the annotated compounds, and ignore the others from the list? Based on my reading, it seems like this has been the approach of several other groups.

I would appreciate any input from someone more experienced than I with this sort of thing.