Structure elucidation of nanogram quantities of unknown designer drugs based on phenylalkylamine derivates by ion trap multiple mass spectrometry

Multiple mass spectra (MS1 to MS6) of 55 phenylalkylamine derivatives were recorded with ion-trap mass spectrometry employing electrospray (ESI) and atmospheric pressure chemical ionization (APCI). Fragmentation patterns were studied in detail and a generally applicable scheme was established for elucidation of the structures of phenylalkylamine derivatives. HPLC combined with ion-trap multiple mass spectrometry was used to identify the structure of reaction by-products in ecstasy samples from the "black” market. Low nanogram amounts were sufficient for on-line HPLC-MS n structure elucidation of unknown

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

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

Stereoselective Separation Combined with Mass Spectrometry: An Indispensable Tool for the Quantification and Identification of Toxins in the Ultra Trace Range

A short survey is given over the main fields of interest of the recently established research group for organic analytical chemistry at the University of Basel. Organic trace analysis and structure elucidation in the pg to ng range are carried out using high resolution gas and chromatography liquid chromatography coupled to single and multiple mass spectrometry. Important ionisation techniques are electrospray, atmospheric chemical ionisation and negative ion chemical ionisation. Beside the development of isomer and enantiomer selective HRGC capillaries and techniques, the techniques mentioned above are applied to problems in the field of environmental analytical chemistry such as the determination and structure elucidation of mycotoxins and pesticides as well as atmospheric polar pollutants. Further fields are the identification of alkaloids in plant extracts and synthetic perfume compounds in detergents