GC–MS libraries for the rapid identification of metabolites in complex biological samples

By Nicolas Schauer, D. Steinhauser, S. Strelkov, Dietmar Schomburg, G. Allison, T. Moritz, Krister Lundgren, U. Roessner-Tunali, M. G. Forbes, Lothar Willmitzer and 2 more. FEBS Letters, 2005

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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.

Subfields: Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/d22043c4147f8116f9b4701220d75076161fd91a

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Citations in the corpus

Mass spectrometry-based metabolomics. (2007, methodology): “The Golm metabolome database (GMD) (http://csbdb.mpimpgolm.mpg.de/csbdb/gmd/gmd.html) contains publicly available mass spectra and retention index metabolite (MSRI) libraries and GC-MS metabolic profiles of plant samples (Kopka et al., 2005).”
The use of metabolomics to dissect plant responses to abiotic stresses (2012, background): “The robustness of the protocol means that libraries of retention time and mass spectra data for standard compounds can be shared among laboratories [12].”
Comparative Metabolome Analysis of the Salt Response in Breeding Cultivars of Rice (2007, background): “…hand profiling is biased towards those metabolic components from a study that are identified at present, for example those that have been made publicly available in dedicated electronic libraries (Halket et al. 1999, Wagner et al. 2003, Halket et al. 2005, Kopka et al. 2005, Schauer et al. 2005).”
Metabolomics demonstrates divergent responses of two Eucalyptus species to water stress (2012, methodology): “…species are required to determine if the dichotomy between E. dumosa and E. pauciflora reflects a general dichotomy between Eucalyptus species from mesic versus semi-arid habitats, or a dichotomy related to phylogenetic relationships, or if E. dumosa and E. pauciflora are extremes on a continuum.”