Resources – CD 2.0

Here you can find scientific posters, presentations, and applications highlighting the use of Compound Discoverer 2.0 for various small molecule applications.

Poster / App Notes

  • ASMS 2016: Detection and Identification of Labeled Compounds From High Resolution Tandem Mass Spectrometry.

ASMS2016 CompoundDiscovererPatternScoring

  • ASMS 2016: Unknown Profiling of Drinking Water Using High Resolution LC-MS/MS and New Software

ASMS2016 CompoundDiscovererWaterAnalysis

  • ASMS2016: Diabetes Markers: using Orbitrap HRAM for differential analysis of Zucker rat plasma metabolome

ASMS2016 Diabetes Markers_Junhua Wang

  • ASMS 2016: Metabolomic Profiling of Food Diets Using Ion Chromatography with High Resolution Orbitrap Mass Spectrometry


  • ASMS 2016:Metabolomic Analysis of 13C/15N Labeled Metabolites Utilizing High Resolution Orbitrap Mass Spectrometry and Compound Discoverer Software

MetabolomicAnalysis with HRMSand CD_ASMS2016

  • ASMS 2016: Orbitrap Fusion Tribrid Mass Spectrometer for Pharmaceutical Impurity Analysis

ASMS2016-Fusion Impurity ID

  • ASMS 2016: Method development for the identification of novel brominated flame retardants using a Q Exactive HRAM mass spectrometer


  • ASMS 2016: An unknown screening approach to analyze micropollutants degradation by different disinfection processes


  • ASMS 2016: A Strategy for the Discovery and Identification of New Natural Product Metabolites by Orbitrap Mass Spectrometer and Multiple Data-Mining Approaches

Natural Product-MetID-QE-CD-ASMS2016

  • ASMS 2016: Drug Stability Study Using Q Exactive Bench-Top Mass Spectrometer

ASMS2016-PPD -Stability-v 4

  • ASMS 2016: Dosing Syringe Extractables Analysis Using Bench-top Orbitrap Mass Spectrometer

ASMS2016-SGS Dosing Syring Extractable

  • ASMS 2016: Identification of IV Bag Extractables using GCMS, LC-HRAM, and ICP-MS

ASMS2016-SGS-Thermo- IV Bag

  • ISSX 2016: Application of HRMS and Advanced Data Processing in Metabolites Profiling of Ibrutini

ISSX-2016 BMS-Thermo

  • ISSX 2016: Identification of SIL-GSH Reactive Metabolites Using LC-HRAM and Pattern Matching

ISSX2016 SIL GSH Trapped Metabolites Adsorption-Thermo

Updated E&L Unknown Workflow Templates

ChemSpider recently removed PubChem as a data source. Therefore, PubChem is no longer available in the Search ChemSpider node.
Please click on the link below to download the zip file which includes the updated workflow template, extract and replace in the following folder:
C:\Users\Public\Documents\Thermo\Compound Discoverer 2.0\Common Templates\WorkflowTemplates\E and L

E&L CD 2

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