Solutions for Pharma DMPK – Automation of Metabolite identification

How much the metabolite identification can be automize is a question that many customers have asked us many times in the latest years. Firstly, we provided first the possibility to compute a batch of experiments in MassMetaSite alone or in connection to WebMetabase, but this solution needed to generate a sample list copying and pasting the file names, Secondly we generated the Autoprocess system which needs a specific name nomenclature. IN both cases there was the barrier of running MassMetaSite as a separated process from WMB and the connection between the software was always a hurdle. In this presentation we will show to you the new concept of running MassMetaSite within WebMetabase that makes the data processing simpler, without out the need of sample list and having all the control in the database system ensuring traceability from the raw data files to the process data. Finally, a number of actions have also added to better automatize and ensure data retrieval and visualization like the Gap filler or adding custom columns.