Research Data supporting "Metabolite annotations, Paula Darwin PhD Thesis"

This data was collected from several models of diet induced obesity in mice. The tissues were collected and snap-frozen before a Bligh and Dyer lipid extraction method was used. The organic layer was then reconstituted and run on an open profile lipidomics method on an Agilent LC IM/MS 6560, where the data was processed using the Agilent processing software, the published KniMet pathway, and analysed in SIMCA (as outlined in the thesis methods). Data listed here are processed values, including the calibrated identification markers (m/z, CCS, RT), the abundance values for each sample, the resulting hierarchy of the lipid from supervised multivariate modelling (OPLS-DA-VIP score), and the identified metabolite with identification markers and adducts.