LC/MS/MS

Small Molecules LC/MS/MS

With structural elucidation of small molecules using mass spectrometry we have made major contributions to the modern life sciences and thier bioanalytical approaches. We utilize different soft and hard ionization techniques and figures of merit for modern mass spectrometers, such as mass resolving power, mass accuracy, isotopic abundance accuracy, accurate mass multiple-stage MS(n) capability, as well as hybrid mass spectrometric and orthogonal chromatographic approaches.

We have developed rich mass spectral library search algorithms for tandem mass spectra and multiple-stage MS(n) mass spectra as well as mass spectral tree libraries that combine multiple-stage mass spectra, mass spectral fragmentation pathways, biotransformation reactions and drug metabolism studies, mass spectral simulation and generation of in silico mass spectra, cheminformatics approaches and structure retention relationships, and retention index predictions for gas and liquid chromatography.

We have developed state of the art electronic data sharing of mass spectra and software for the advancement of structure elucidation of small molecules.