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Automated Search of Spectral Databases and Compound Identification

DB Search enables you to connect with one or more Mnova databases to explore input datasets and identify molecular structures that have already been analyzed and stored. It also helps you discover structurally similar compounds based on comparable 1H, 13C, HSQC, or LC/GC-MS data, which can serve as references for structure elucidation. This tool streamlines the entire process- searching, scoring, and reporting- saving valuable time and enhancing resource efficiency.

Gears DB Search 2.0 Installer – (requires the installation of Mnova Gears 2.7.1)
DB Search

Benefits

  • Open and search your NMR and LC/GC-MS data as well as Molecule Structures
  • Faster screening of natural or synthetic compound libraries for dereplication in research and discovery processes.
  • Efficient detection of previously analyzed molecules and their analogs.
  • Huge resource savings on unnecessary re-analysis of previously studied and saved compounds.
  • Quick decision making based on a score ranking of top matches.
  • Easier subsequent structure elucidation of unknown and new compounds using partially matching hits as a reference.
DB Search

Features

  • Batch and real-time search modes
  • Search of just one or multiple Mnova databases simultaneously
  • Configurable search method for 1H, 13C and HSQC spectra
  • Multiple search options, for instance, via NMR peaks, multiplets, or profile similarity
  • Advanced search algorithms to adapt to different applications (search of pure compounds or mixtures)
  • Powerful hit scoring and ranking
  • Customizable results visualization (hit tables, spectral stacks) and reporting
  • Automatic result reporting and saving in Mnova, PDF, CSV, and HTML formats
Latest DB Search news

What’s New in DB Search 2.0

Mnova Gears DB Search 2.0 is here!
Our latest release makes spectral database searching and compound identification faster and smarter, with new search modes, enhanced reporting, and improved visualization.

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Webinar-what-can-Mnova-do-for-your-mixtures-analysis

Mixture Analysis in Mnova NMR | Webinar

Dr. Mark Dixon (Mestrelab) gave a webinar on how identification and/or quantification of components of a mixture in solution is a common problem that a chemist must solve on a frequent basis.

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Help & Resources

Guides & Manuals

DB Search - Starting Guide Mnova Gears - Manual

Videos

Mixture Analysis in Mnova NMR | Webinar
DB Search

Related Applications

Academic, Government & Industrial

Target Audience

Analytical Chemists​
Forensic Chemists​
Environmental Chemists
Other Mnova Solutions

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