Mnova Gears – DB Search

Automated Search of NMR Databases and Compound Identification

“What’s in my sample?” Whether it is a pure compound or a mixture, a known structure or a new one, the answer to that question can be rather complicated, but a quick check of your previously saved NMR data can facilitate the process of identification and avoid repetition of unnecessary analyses.
DB Search allows you to connect to one or more Mnova databases and search input datasets to identify structures that have already been analyzed and saved to these databases, or to otherwise find potentially similar structures (with similar 1H, 13C, or HSQC spectra) that can be used as references in structure elucidation. This tool automates search, scoring, and reporting, saving you considerable time and optimizing your resources.

Software Solution for Chemical Reaction Optimization

Gears DBSearch


  • Open and search all your NMR spectra independently in their native formats.
  • 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.



Gears DBSearch


  • 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

Related applications

Mixture analyses with Mnova

Mnova offers multiple ways to address the analyses of mixtures when presented in NMR spectra, whether they are targeted or untargeted, and whether they require component identification and/or quantification. The most suitable technique depends upon the application.

Discover which solution is best for your needs! And Contact us for more information.

Academic, Government & Industrial

Markets & Applications

Who should be using Mnova Gears DB Search?

  • Drug discovery laboratories
  • Natural product research
  • Food and beverage industries
  • Personal care and cosmetics
  • Fine chemical synthesis industries
  • Polymer industries
  • Research laboratories

  • Search of natural or synthetic products libraries for dereplication in research and discovery processes
  • Screening and identification of known illicit drugs or detection of potential synthetic analogs
  • Quality control of pure compounds to confirm identity before use in downstream processes