Mnova NMR

Mnova NMR, developed by Mestrelab, is a professional and innovative software platform designed to visualize, process, analyze, and report 1D and 2D NMR data. It is purpose-built to support the specific NMR needs of analytical and organic chemists, including medicinal chemists, process chemists, NMR spectroscopists, academic teachers, and researchers across academic, government, and industrial settings. The software is available for a 45-day free trial and runs on Windows, macOS, and Linux.

Mnova NMR is the most widely used tool of its kind, continuously refined through feedback from expert spectroscopists and chemists. It accepts multiple plugins to cover a broad range of NMR applications, including reaction monitoring, quantitative NMR (qNMR), fragment-based drug discovery, structure verification, mixture analysis, biologics, and chemometrics. Its vendor-neutral architecture supports datasets from all major NMR spectrometer manufacturers, including Bruker, Agilent/Varian, JEOL, Magritek, Nanalysis, Oxford Instruments, and PicoSpin.

Core Processing and Analysis Capabilities

• Automated processing of 1D NMR data (1H, 13C, DEPTs, and other nuclei) and 2D NMR correlations including HSQC, HMBC, NOESY, COSY, and TOCSY
• Best-in-class spectral analysis tools including apodization methods, zero filling, forward and backward linear prediction, phase and baseline correction algorithms, covariance, symmetrization, diagonalization, binning, normalization, noise reduction, and smoothing
• Global Spectral Deconvolution (GSD) for fully automated separation of all signals in a spectrum, with interactive control available at every step
• Peak picking, integration, multiplet analysis, and high-quality deconvolution of spectra
• Drag-and-drop import of 1D and 2D data from any NMR vendor for instant auto-processing and analysis

State-of-the-Art and AI-Powered Features

• AI-powered peak-picking algorithm developed in collaboration with Bruker, built on deep learning and the GSD algorithm, enhancing precision in qNMR
• AI-enabled automatic baseline and phase correction, setting a new benchmark for accuracy and efficiency in NMR spectral analysis
• 13C/HSQC Molecular Search tool for identifying known compounds by performing spectral searches on a large database of synthetic NMR datasets using 13C information from 1D 13C and/or HSQC experiments, combined with molecular formula data; results are ranked by 13C RMSD similarity and include direct links to PubChem
• 3D NMR data handling and a 3D Spectrum Viewer supporting Bruker-processed files (e.g., 3rrr format), with planned expansion to time-domain data; displays pseudo 2D NMR experiments, stacked spectra, 2D spectra, and 3D NMR peaks
• Seamless integration with peak lists from NMR software including CARA, CCPN, Sparky, and TopSpin

Specialized Modules and Tools

• Enhanced DOSY module with refined algorithms for more precise spectra computation, improved error analysis, Weighted and Monte Carlo fitting, expanded support for PFG experiments, and a new DOSY Peaks panel with interactive diffusion value plots
• Assignments tool combining spectra, structure, and assignment tables in a single interface, supporting manual peak assignment, Assisted Assignment Mode, and an Auto Assignment Algorithm
• Data Analysis feature for detailed analysis of 1D NMR experiments, supporting resonance decay, peak shifts during titration, diffusion and relaxation (T1/T2) studies, kinetics, reaction monitoring, and titrations, with tabular and graphical data output
• Chemometrics tools including binning and PCA for multivariate analysis of spectral arrays, with an Advanced Chemometrics plugin and BioHOS plugin available under separate licenses

Workflow Efficiency and Reporting

• Modern ribbon control and intuitive GUI designed for both beginners and experienced users
• Easy handling of multiple spectra, including stacking and superimposing multiple 1D or 2D spectra, batch peak picking, and integration of multiple spectra simultaneously
• Curve fitting to peak properties for related spectra, supporting reaction monitoring, relaxation studies, and DOSY processing
• Publication-ready report generation built into the data analysis workflow
• Reporting and processing templates, as well as scripting tools (including Python scripting), to automate workflows and save time

Mnova NMR is a multi-platform, vendor-neutral solution compatible with Microsoft Windows, macOS, and all major Linux distributions including Ubuntu, RHEL, and Debian. It integrates with related Mestrelab products such as Mnova Gears for automation workflows, MSChrom for LC-MS and GC-MS data, Mnova Web for browser-based NMR analysis, and Mbook, a cloud-based ELN with built-in analytical data support. The platform supports a wide range of application areas including identification and quantification, reaction monitoring, structure characterization, ligand screening, mixture analysis, metabolomics, and instrument performance assessment.