PNNL

Abstract

An analytical approach combining chemical derivatization and degradation techniques with gas chromatography-mass spectrometry (GC-MS) was developed to characterize a novel multifunctional metabolite detected in laboratory bacterial cultures, and the results are presented as evidence for the proposed structure. Chemical ionization MS and high resolution MS provided the molecular weight and elemental composition, respectively. Methylation, acylation, propylation, hydrobromic acid ether cleavage, and hydrogenation and dehalogenation with palladium catalyst provided structural information. MS/MS studies supported the proposed structure. Approaches such as the one described here may be useful for the identification of other trace organic unknowns detected in the environment or laboratory.