Developing an LC-MS-MS spectra library of drugs

The Institute of Toxicology in the Clinical Toxicology and Poison Information Centre Berlin (BBGes) and Geneva Bioinformatics (GeneBio) have announced a collaboration to create a new spectral library taking advantage of high mass accuracy data.

The project aims to create a dedicated MS–MS spectra library of small molecules generated by the QSTAR instrument from AB SCIEX as part of an automated on-line SPE-LC-QqTOF system. According to the company, they will use GeneBio’s SmileMS to optimize the identification of drugs, poisons and toxins with their metabolites from data acquired on the QqTOF instrument.

"SmileMS is perfect for screening the data generated on the XLC-QqTOF system. With its sophisticated and intelligent data analysis and management, the software generates a comprehensive report of the compounds, which it has identified," commented Dr Grobosch.

For more about GeneBio visit www.genebio.com