title: GC-MS libraries for the rapid identification of metabolites in complex biological samples.
abstract: Gas chromatography-mass spectrometry based metabolite profiling of biological samples is rapidly becoming one of the cornerstones of functional genomics and systems biology. Thus, the technology needs to be available to many laboratories and open exchange of information is required such as those achieved for transcript and protein data. The key-step in metabolite profiling is the unambiguous identification of metabolites in highly complex metabolite preparations with composite structure. Collections of mass spectra, which comprise frequently observed identified and non-identified metabolites, represent the most effective means to pool the identification efforts currently performed in many laboratories around the world. Here, we describe a platform for mass spectral and retention time index libraries that will enable this process (MSRI; www.csbdb.mpimp-golm.mpg.de/gmd.html). This resource should ameliorate many of the problems that each laboratory will face both for the initial establishment of metabolome analysis and for its maintenance at a constant sample throughput.
authors.affiliation: Max-Planck Institute of Plant Molecular Physiology, Am Muehlenberg 1, D-14476 Golm, Germany.
authors.forename: Nicolas
authors.initials: N
authors.lastname: Schauer
authors.forename: Dirk
authors.initials: D
authors.lastname: Steinhauser
authors.forename: Sergej
authors.initials: S
authors.lastname: Strelkov
authors.forename: Dietmar
authors.initials: D
authors.lastname: Schomburg
authors.forename: Gordon
authors.initials: G
authors.lastname: Allison
authors.forename: Thomas
authors.initials: T
authors.lastname: Moritz
authors.forename: Krister
authors.initials: K
authors.lastname: Lundgren
authors.forename: Ute
authors.initials: U
authors.lastname: Roessner-Tunali
authors.forename: Megan G
authors.initials: MG
authors.lastname: Forbes
authors.forename: Lothar
authors.initials: L
authors.lastname: Willmitzer
authors.forename: Alisdair R
authors.initials: AR
authors.lastname: Fernie
authors.forename: Joachim
authors.initials: J
authors.lastname: Kopka
mesh_terms: D000596:Amino Acids / Q000378:metabolism*; D000818:Animals; D050260:Carbohydrate Metabolism; D008401:Gas Chromatography-Mass Spectrometry; D050356:Lipid Metabolism; D010944:Plants / Q000737:chemistry* / Q000378:metabolism*; D013997:Time Factors
chemical_list: D000596:Amino Acids