MS/MS spectral tag-based annotation of non-targeted profile of plant secondary metabolites.

ABSTRACT: The MS/MS spectral tag (MS2T) library-based peak annotation procedure was developed for informative non-targeted metabolic profiling analysis using LC-MS. An MS2T library of Arabidopsis metabolites was created from a set of MS/MS spectra acquired using the automatic data acquisition function of the mass spectrometer. By using this library, we obtained structural information for the detected peaks in the metabolic profile data without performing additional MS/MS analysis; this was achieved by searching for the corresponding MS2T accession in the library. In the case of metabolic profile data for Arabidopsis tissues containing more than 1000 peaks, approximately 50% of the peaks were tagged by MS2Ts, and 90 peaks were identified or tentatively annotated with metabolite information by searchi

SUBMITTER: Matsuda F 

PROVIDER: S-EPMC2667644 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature