Welcome to Compound Discoverer

We’re excited to share the latest evolution of Thermo Fisher Scientific Compound Discoverer with the new version 2.1 (CD 2.1), our unique application for small molecule research applications in LC- HRAM MS. With Compound Discoverer 2.1 we’ve continued to improve and added even more capabilities for both “known parent” and “unknown parent” (untargeted) analysis.

In Compound Discoverer 2.1 we’ve added or improved features relevant to all applications.  Here’s just a few of the improvements or additions you’ll see in CD 2.1:

  • Easily generate potential transformation products from multiple starting compounds at once.
  • Addition of both Similarity searching and handling of stepped collision energy searching in mzCloud!
  • New normalization capabilities – Pooled QC Normalization.
  • Enhanced elemental composition calculation utilizing both very high resolution MS1 and MS/MS fragmentation data.
  • Better user control of compound annotation
  • Make better use of database matches with in silico fragmentation ranking of hits.
  • Connectivity to BioCyc for pathway visualization
  • Search local fragmentation spectral libraries in mzVault.

 

On this site, you will find several training and quick start videos to help you get going with Compound Discoverer 2.1 as well as options to provide feedback and get additional help with questions you may have.

 

– The Compound Discoverer Team

About Tim Stratton

Graduate of the University of Minnesota (Chemistry), I went to work in the Pharmaceutical field initially in regulated analysis for pharmaceutical manufacturing including quality control, method and instrument validation and qualification. My career in Pharma extended for about 12 years covering all aspects from early DMPK through clinical trials and post market (Phase IV) research but my specialty has always been small molecule structure identification. My career covered both large and small Pharma companies including Abbott Laboratories (now Abbvie), Sunesis, and ChemoCentryx. At Thermo my current role is as the Manager for Library Technologies with a focus on small molecule qualitative analysis.

Posted on February 3, 2015, in Welcome and tagged . Bookmark the permalink. Comments Off on Welcome to Compound Discoverer.

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