Author Archives: Tim Stratton
Check out the new content available under Resources → CD 2.1 to find links for recent posters using Compound Discoverer 2.1 and for quick tips.
Compound Discoverer now supports batch searching against the mzCloudTM spectral library (mzCloud.org) including spectral similarity searching in version 2.1! Increase the structure information available for structure interpretation of previously unidentified compounds.
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