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Here you can find short (<10 minutes), topic specific videos on specific features within Compound Discoverer. These videos include specific node-based descriptions, quick starts for making a new study or analysis, and tips for using the review pane. Videos with links are live and more will be added.

If you would like help on how to download Compound Discoverer from Flexnet, click here.

For new users, the “Getting Started” videos will give you a great overview of Compound Discoverer 2.0 while the Example Dataset videos will take you through the different examples showing how the Study was designed, how the Workflow was created, and how the Results can be investigated.

Getting Started

• • CD 2.0 Basics
  • Creating a New Study with the Study Wizard
  • Workflow Basics

Node Basics

• • The Nodes: Part 1 – Input/Output
  • The Nodes: Part 2 – Data Processing
  • The Nodes: Part 3 – Tracers
  • The Nodes: Part 4 – Expected Compounds
  • The Nodes: Part 5 – Unknown Compounds
  • The Nodes: Part 6 – Comparison & Statistics
  • The Nodes: Part 7 – Post-Processing Nodes

Example Dataset

• • Omeprazole Human Urine Example Study Sets
  • The Metabolomics ZDF Rat Example Study Sets

Advanced Features

• • Using the Pattern Tracer and Pattern Scoring Nodes
  • Creating and Installing Mass Lists for the Search Mass List node
  • Generating an Inclusion List for dd MS2 Reacquisition
  • Compound Structure Elucidation Using Custom Explanations and FISh
  • How to copy a structure and save as .mol file
  • How to correlate UV peaks to MS peaks in CD

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CD 2.0 Basics

Study Wizard

Workflow Basics

The Nodes: Part 1 – Input/Output

The Nodes: Part 2 – Data Processing

The Nodes: Part 3 – Tracers

The Nodes: Part 4 – Expected Compounds

The Nodes: Part 5 – Unknown Compounds

The Nodes: Part 6 – Comparison & Statistics

The Nodes: Part 7 – Post-Processing Nodes

Metabolomics Example Data Set – ZDF

This dataset includes results from a study of Zucker rats with two groups, normal and ZDF (Zucker diabetic fatty). PCA and Differential Analysis (Volcano plot) results allow for the potential differences in metabolome profile between them and identification of components is demonstrated with mzCloud, ChemSpider, and Mass List search.

Metabolism Example Data Set

This dataset was acquired an a Fusion Tribrid mass spectrometer for human urine samples after oral dosing with omeprazole. It demonstrates the detection and identification of metabolites in timecourse samples by comparing with a pre-dose and investigating the time profile for metabolites in the samples.

Using the Pattern Tracer and Pattern Scoring Nodes

Creating and Installing Mass Lists for the Search Mass List node

Generating an Inclusion List for dd MS2 Reaquisition

Compound Structure Elucidation Using Custom Explanations and FISh

How to copy a structure and save as .mol file

Downloading Software from Flexnet

UV_Traces_in_CD_Omeprazole_Impurity_Example