Table of Contents

  • Open this section 1. Notices and Trademarks
    • 1.1. Technical Support
    • 1.2. Disclaimer of Warranties and Liabilities
    • 1.3. Trademarks
  • Open this section 2. Introduction
    • 2.1. Running Chenomx NMR Suite
    • 2.2. Software Updates
    • 2.3. Tutorial and Sample Files
  • Open this section 3. Handling Samples and Spectra
    • Open this section 3.1. Sample Preparation
      • Preparing Filter Tubes for Sample Filtration
      • Filtering the Sample through Microcentrifuge Filter Tube
      • Internal Standard Solution
    • Open this section 3.2. Spectral Data Acquisition
      • Pulse Sequences
      • Required NMR Parameters
    • Open this section 3.3. Spectral Data Processing
      • Data Processed with Other Software
  • Open this section 4. Processor
    • 4.1. Overview
    • Open this section 4.2. Information Tools
      • Spectrum Details (Sidebar)
      • Processing History (Sidebar)
      • Calibration Tool
    • Open this section 4.3. Processing Steps
      • First Step: Line Broadening
      • Second Step: Phase Correction
      • Third Step: Baseline Correction
      • Fourth Step: Shim Correction
      • Fifth Step: Calibrate CSI
      • Sixth Step: Send to Profiler
    • Open this section 4.4. Optional Steps
      • Region Deletion
      • Reverse Spectrum
      • Define Custom CSI
      • Calibrate pH
      • Export as JCAMP-DX
  • Open this section 5. Profiler
    • 5.1. Overview
    • Open this section 5.2. Profiling Tools
      • Compound Table
      • Cluster Navigator
      • Enforce Transform Windows
      • Scale Concentrations
      • pH Tool
      • Colors/Stars/Pins/Remember Selection
    • Open this section 5.3. Manual Profiling
      • First Step: Identify Compounds
      • Second Step: Determine Compound Concentrations
      • Third Step: Profile Overlapped Regions in a Spectrum
    • Open this section 5.4. Automatic Profiling using a semi-automated approach
      • First Step: Cluster positioning using Compound Snapper
      • Second Step: Concentration optimization using Fit Concentrations
      • COMPLETE Autofit: fully automated profiling approach
    • Open this section 5.5. Importing and Exporting Data
      • Import Profile
      • Export Profiled Compounds
      • Export Compound Table
      • Batch Export
      • Send to Processor
  • Open this section 6. Library Manager
    • 6.1. Overview
    • Open this section 6.2. Library Tools
      • Compound Table
      • Quick Searches
      • Add Compounds
      • Export Compounds
      • Send to Compound Builder
      • Remove Compounds
      • Update Compounds
    • Open this section 6.3. Compound Set Tools
      • Compound Sets (Sidebar)
      • Automatic Compound Sets
      • Compound Sets
      • Smart Compound Sets
      • Rename Compound Sets
      • Remove Compound Sets
    • Open this section 6.4. Reference Card Editor
      • Required Details
      • Optional Details
    • Open this section 6.5. Information Tools
      • Reference Card Panel (Sidebar)
  • Open this section 7. Batching and Binning (PRO Only)
    • Open this section 7.1. Batching
      • Batch Import
      • Batch Process
      • Batch Edit
      • Batch Fit
    • 7.2. Spectral Binning
  • Open this section 8. Compound Builder (PRO Only)
    • 8.1. Overview
    • Open this section 8.2. Information Tools
      • Compound Details
      • Information Panel
      • Cluster Navigator
    • Open this section 8.3. Build a Compound
      • First Step: Sample Preparation and NMR Acquisition
      • Second Step: Process your Spectrum in Processor
      • Third Step: Import new CNX file into Compound Builder.
      • Fourth Step: Add Peaks, Define Clusters and Optimize Shapes
      • Fifth Step: Set Transform Windows
    • Open this section 8.4. Optional Steps
      • Compound Fit Style
      • Import Simulation
      • Generate Cluster for Region
      • New Compound
      • Manage Cluster IDs
      • pH Sensitivities
  • Open this section 9. Spin Simulator
    • 9.1. Overview
    • Open this section 9.2. Simulating Tools
      • New Simulation
      • Spin Systems
      • Spin Definitions
      • Spin Navigator
      • J-Modifiers
    • Open this section 9.3. Information Tools
      • Spin Definition (Sidebar)
      • Simulation Details
  • Open this section 10. The Basics
    • Open this section 10.1. File Management
      • Open Files
      • Importing Spectra
      • Saving Files
      • Closing Files
      • Undo and Redo
    • Open this section 10.2. Preferences
      • Change Columns
      • Display Options
    • Open this section 10.3. Sidebar
      • Legend
      • Files
      • Reference Cards
      • Quick Searches
      • Spectrum Details
      • Processing History
      • Compound Sets
      • Simulation
    • Open this section 10.4. Spectrum Graph
      • Spectrum Thumbnail
      • Select Region
      • Spectrum Overlays
      • Zoom Tools
      • Export Spectrum Image
      • Copy Spectrum Image to Clipboard
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Chapter 8. Compound Builder (PRO Only)

The Compound Builder module creates compound signatures so that you can identify and quantify your own custom compounds. Add your newly created compound signatures (.xcpd) to the compound library using Library Manager. Once in the library, these custom compouds can be used to profile spectra in Profiler.

For a hands-on introduction to Compound Builder, see “Tutorial and Sample Files”.

8.1 Overview

Image of the Compound Builder main window

❶

Sidebar View Dropdown Menu changes the currently visible Sidebar view.

❷

Reference Card Panel displays additional information for the compound indicated by the Chenomx Compound ID in the Compound Details, including structure, molecular weight, CAS-RN and so on.

❸

Cluster and Peak Lists edits, selects or removes clusters or peaks in the currently open compound. Also defines new clusters based on the currently selected peaks or clusters.

❹

Cluster Navigator navigates among the clusters of the currently open compound. Enable or disable the Cluster Navigator using the View menu.

❺

Spectrum Graph displays the spectrum as well as the sum line and the currently selected cluster(s) or peak(s).

❻

Information Panel displays information relating to the currently selected cluster(s) and peak(s).

❼

Spectrum Thumbnail displays a thumbnail image of the Spectrum View. The thumbnail can also be used to navigate the spectrum at various zoom settings.

❽

Status Bar displays the current cursor position in the units specified by the View > X Scale and View > Y Scale settings. Also displays information about recent user actions.


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7.2 Spectral Binning Home 8.2 Information Tools
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Last modified: 27 Jun 2023