A couple new scripting nodes can be found here.

• Adding an m/z column to the Compounds table
• Adding m/z and Delta Mass [ppm] columns to the Expected Compounds table
• Calculate O/C and H/C ratios in the Compounds table
•  Show KEGG IDs (top mzCloud hit) in the Compounds table 

Your feedback and requests for additional scripting nodes are welcome!

We appreciate that many people are transitioning to working from home and would like to do what we can to ease that transition. We realize that you may need access to data processing software, which is currently licensed on a lab-based computer. We would like to remind you that you can download fully functioning versions of our software from http://thermo.flexnetoperations.com to load on a remote-based computer. You will get an automatic 60-day trial license (no license key needed), which we will extend as needed during this challenging period. To extend a license, please send an email to ThermoMSLicensing@thermofisher.com.

The registration is now open for our annual Users Meeting in Germany. We are looking forward to see you in Bremen!

Compound Discoverer 3.1 has just been released!  New features include :

• Molecular Networks to interactively explore relationships between compounds based on transformations and spectral similarity
• Scripting node to embed scripts—for example, Python or R scripts—in workflows
• Mass Defect Plot for Compounds and Expected Compounds
• Search mzCloud node:
  • Supports automatic searches of multiple spectral libraries
  • Supports the new “Autoprocessed” mzCloud library
  • Displays the fragment structure for matching peaks

Download a free demo from here.

Registration for the Compound Discoverer Users meeting at ASMS 2019 is now open.

ChemSpider recently removed PubChem as a data source. Therefore, PubChem is no longer available in the Search ChemSpider node.

Please click links below to download the updated E&L unknown workflow templates:
CD 3.0: Resources – CD 3.0 page
CD 2.1: Resources – CD 2.1 page
CD 2.0: Resources – CD 2.0 page

We are very happy that Compound Discoverer 3.0 was named among the Top 15 Innovations of 2018 by The Analytical Scientist  !

Compound Discoverer 3.0 has been released!

Some of the major new features added in Compound Discoverer 3.0 include:

• Untargeted stable isotopic label analysis (isotopic or metabolic flux analysis).
• mzLogic^TM algorithm – a new approach to rank order chemical database putative candidates leveraging the >2 million real reference spectra from mzCloud.
• Partial reprocessing of workflows
• Metabolika^TM pathways

Download a free demo from here.

For more information, brochures and videos please also visit thermofisher.com.

Registration is now open for our annual Users Meeting in Bremen!