Software Applications

International Journal for Ion Mobility Spectrometry

, Volume 11, Issue 1, pp 83-87

Peak finding and referencing in MCC/IMS-data

  • Bertram BödekerAffiliated withDepartment of Metabolomics, ISAS-Institute for Analytical Sciences Email author 
  • , Wolfgang VautzAffiliated withDepartment of Metabolomics, ISAS-Institute for Analytical Sciences
  • , Jörg Ingo BaumbachAffiliated withDepartment of Metabolomics, ISAS-Institute for Analytical Sciences

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Abstract

Major questions of all investigations of analytes using ion mobility spectrometer (IMS) are peak finding and in case of proper finding the reliable referencing. In case of rather complex mixtures like human breath or water impurities, automatic procedures should be found to support peak finding and referencing. A visualisation software tool will be described bringing the summarised results of peak finding methods and the reference lists used as input to data bases together in a single system. The details of the software developed are described briefly and the procedures behind are referenced.

Keywords

Peak finding Referencing Multi-capillary column