Mnova Gears – MANIQ

Mnova Automatic NMR Identification and Quantification of compounds in a sample

Manual interpretation of NMR data from mixtures can be cumbersome and very time consuming, especially when dealing with larger sample batches or when the signals of different compounds overlap in the associated spectra.

MANIQ is an automated workflow especially designed to take over this task and deliver quick and accurate results, with all the information you need with one button click. It relies on robust algorithms to process NMR data from mixtures (or even pure compounds),  identify and/or quantify them based on a reference library, and report the results in a variety of formats.

MANIQ offers a range of customizable methods to analyze compounds’ spectra. Its unique capability to effectively process overlapped NMR peaks, even in cases where no isolated signals or multiplets for a particular compound can be found, is undoubtedly one of the major features you will appreciate if you are dealing with such complex samples. If that’s something you’d be interested in, we’d be happy to show you more of it!



  • Off-the-shelf solution that can be quickly implemented in your environment and customized to your particular needs, regardless of your NMR instrument vendor or data formats.
  • It offers a wide range of analysis possibilities thanks to the use of reference libraries that can be changed and adapted for each analysis.
  • Comprehensive and ready-to-share reports which reduce the time spent on data management.
  • Enhanced compliance with Gxp and data management standards with minimal effort.
  • All your essential mixture analysis tools (MANIQ, SMA*, DB*, NMR Prediction* and verification*) in one software package with powerful automatization capabilities.


    *Requires a valid license

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  • Batch and real-time analysis and reporting capabilities adaptable to high-throughput and continuous workflows.
  • Flexible compound identification (Direct Peak Search, Cosine Similarity, Pearson Correlation Coefficient, 13C Analysis) and quantification (Integral Transforms, f-Factor) methods, to accommodate multiple use cases (mixture sample, overlapping peaks, shifting peaks, etc.).
  • Powerful pattern-matching between each sample and a reference library.
  • Relative and absolute quantification options with possibilities to use internal or external (PULCON) references.
  • Very simple and intuitive building of a reference library as an Mnova document with all your reference spectra and molecular structures.
  • Gxp-compliant reports generated seamlessly and saved at your desired location at the end of each analysis.
  • Color-coded results tables for quick review and decision making.
  • Integration with Mgears Viewer, which allows an enhanced review of the results.

Academic, Government & Industrial


Who should be using MANIQ?

Researchers, analytical chemists, expert spectroscopists, and quality control experts in the following market fields:

  • Food and beverage industries (nutraceuticals, foods, wines, fruit juices, etc.)
  • Pharmaceutical industries
  • Personal care and cosmetics
  • Fine chemical synthesis industries
  • Research and analytical labs
  • Contract Research Organizations (CROs) offering mixture analysis services

  • Deformulation of formulated products (drugs, food additives, detergents, dyes, etc.)
  • Quality control of finished consumer products, medicines, vaccines, etc.
  • Fraud detection
  • Detection, identification, and quantification of illicit drugs