Structure Elucidation and Quantification by HPLC Ion-Trap Multiple Mass Spectrometry

Abstract

High-performance liquid chromatography combined with ion-trap mass spectrometry allows now to record mass spectra in the full-scan mode with sample quantities around 1 ng or less. In addition, the on-line generation of multiple daughter-ion spectra has become possible. This has revolutionised organic trace analysis. Small polar and/or thermolabile molecules such as biotoxins can be detected in the trace range and their structure unequivocally identified. In addition, a complete or partial structure elucidation of related structures is possible. This overview demonstrates the possibilities and limitations of HPLC-Msⁿ with ion traps. Examples shown are the structure elucidation of aconitum alkaloids, trichothecenes and photochemically formed carbonyl compounds. This survey discusses also problems caused by system contamination and adsorption effects. Finally, the achievable performance of quantification in the trace range is briefly presented.