SE56:/DS01

Sample Set Information

ID	SE56
Title	MS/MS spectral tag-based annotation of non-targeted profile of plant secondary metabolites
Description	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 searching the metabolite databases and manually interpreting the MS2Ts. A comparison of metabolic profiles among the Arabidopsis tissues revealed that many unknown metabolites accumulated in a tissue-specific manner, some of which were deduced to be unusual Arabidopsis metabolites based on the MS2T data. Candidate genes responsible for these biosyntheses could be predicted by projecting the results to the transcriptome data. The method was also used for metabolic phenotyping of a subset of Ds transposon-inserted lines of Arabidopsis, resulting in clarification of the functions of reported genes involved in glycosylation of flavonoids. Thus, non-targeted metabolic profiling analysis using MS2T annotation methods could prove to be useful for investigating novel functions of secondary metabolites in plants.
Authors	Fumio Matsuda, Keiko Yonekura-Sakakibara, Rie Niida, Takashi Kuromori, Kazuo Shinozaki, Kazuki Saito
Reference	Matsuda F et al. (2009) The Plant Journal 57: 555-577
Comment

The original paper is available at The Plant Journal.

The raw data files are available at DROP Met web site in PRIMe database of RIKEN.

Data Analysis Details Information

ID	DS01
Title	Profiling by METALIGN and MS2T-based peak annotation
Description	The data matrix was generated from the metabolic profile data using METALIGN software (de Vos et al., 2007) and processed using in-house software written in Perl/Tk (‘N toolbox’, Appendix S3). Detailed methods for processing and interpretation of the MS2T data are described in Appendix S2. The processed data matrix was analyzed using MeV4.0 (TIGR, http://www.tm4.org) Saeed et al., 2003, 2006).
Comment_of_details

The peak data files of this analysis are available at MS2T.