Seminar: Wei Tang

Dissolved organic matter (DOM) is a complex mixture containing thousands of compounds and plays an important role in global carbon cycle. The understanding of DOM composition becomes the basis of many other research problems. Usually, DOM is measured by Direct Infusion Mass Spectrometry (DI-MS) and annotated at molecular formula level. To further investigate the compound classes and molecular structures, Direct Infusion Tandem Mass Spectrometry (DI-MS/MS) could be one option for measurement. However, due to the high complexity of DOM and the limited isolation resolution of the instruments, the resulting fragmentation spectrum are often chimeric spectrum and makes the compound annotation difficult.
To solve this problem, we built a shared project and are developing a deconvolution approach on both experimental and computational aspects. In this talk, I'll mainly present the current development progress on the computational side.