Gary Siuzdak, Ph.D., is Professor and Director of the Scripps Center for Metabolomics at The Scripps Research Institute. He is an affiliate scientist at the Lawrence Berkeley National Lab and has served as Vice President of the American Society for Mass Spectrometry. His research includes developing novel technologies for metabolomics, metabolite imaging and systems biology. He has over 300 peer-reviewed publications and two books including the "The Expanding Role of Mass Spectrometry in Biotechnology”. Other information can be found at https://en.wikipedia.org/wiki/Gary_Siuzdak
The new METLIN Ion Mobility database has now been created having just completed the analysis of 30,000 molecular standards. METLIN Ion Mobility is an ongoing effort of the METLIN Tandem Mass Spectrometry database with over one million molecular standards analyzed, representing a challenging endeavor, especially when it needs to be accomplished at multiple collisional energies and in both positive and negative ionization modes.
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I will describe some of the details of how the ion mobility measurements were performed on the Bruker TimsTOF and the Waters Synapt 2 and why we have pursued not only tandem mass spectrometry (MS2) and neutral loss data acquisition but also this newly created ion mobility database. The primary reason behind this effort is to create high confidence molecular identification of known molecules, and preliminary characterization of novel, unknown molecules (unknowns). METLIN is moving to become a truly comprehensive database with data on ~1% of PubChem’s 93 million compounds, essentially a number that can be characterized as all the currently known chemical space.
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