期刊
ANALYTICA CHIMICA ACTA
卷 624, 期 1, 页码 97-106出版社
ELSEVIER
DOI: 10.1016/j.aca.2008.06.036
关键词
principal component analysis; high-resolution mass spectrometry; myxobacteria; secondary metabolites; natural products
资金
- 'Deutsche Forschungsgemeinschaft' (DFG)
- 'Bundesministerium fur Bildung und Forschung'(BMB+F)
Bacteria producing secondary metabolites are an important source of natural products with highly diverse structures and biological activities. Developing methods to efficiently mine procaryotic secondary metabolomes for the presence of potentially novel natural products is therefore of considerable interest. Modem mass spectrometry-coupled liquid chromatography can effectively capture microbial metabolic diversity with ever improving sensitivity and accuracy. In addition, computational and statistical tools increasingly enable the targeted analysis and exploration of information-rich LC-MS datasets. In this article, we describe the use of such techniques for the characterization of myxobacterial secondary metabolomes. Using accurate mass data from high-resolution ESI-TOF measurements, target screening has facilitated the rapid identification of known myxobacterial metabolites in extracts from nine Myxococcus species. Furthermore, principal component analysis (PCA), implementing an advanced compound-based bucketing approach, readily revealed the presence of further compounds which contribute to variation among the metabolite profiles under investigation. The generation of molecular formulae for putative novel compounds with high confidence due to evaluation of both exact mass position and isotopic pattern, is exemplified as an important key for de-replication and prioritization of candidates for further characterization. (C) 2008 Elsevier B.V. All rights reserved.
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