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.mpimpgolm.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.

Genome-Wide Association in Tomato Reveals 44 Candidate Loci for Fruit Metabolic Traits

“…Metabolite extraction, derivatization, gas chromatographymass spectrometry, and data processing were performed as described by Schauer et al (2006). Metabolites were identified in comparison with database entries of authentic standards (Kopka et al, 2005;Schauer et al, 2005). A total of 76 metabolites were measured in our experiment (for the complete list, see Supplemental Table S1), including amino acids, sugars and sugar alcohols, and organic acids.…”

A Key Role for Apoplastic H2O2 in Norway Spruce Phenolic Metabolism

“…The identification of primary metabolites was based on the quadrupole mass spectral and retention time index library (i.e. Q_MSRI; Schauer et al, 2005). Sixty-seven metabolites were annotated and their abundances analyzed by Student's t test (t.test function in R version 3.1.3.).…”

A Metabolomic Approach to Study Major Metabolite Changes during Acclimation to Limiting CO2 in Chlamydomonas reinhardtii

“…Samples were analyzed, according to Gullberg et al (2004), using gas chromatography-mass spectrometry-time of flight (GC-MS-TOF) together with blank control samples and a series of n-alkanes (C 12 -C 40 ), which allowed retention indices to be calculated (Schauer et al, 2005). One microliter of each derivatized sample was injected without splitting into a gas chromatograph equipped with a 10-m 3 0.18-mm i.d.…”