Mnova DB

Mnova DB is a professional database module developed by Mestrelab Research, designed to help chemists and researchers efficiently store, share, and search chemical and analytical data. Fully integrated within the Mnova Suite, it supports molecular structures, NMR, LC-MS, GC-MS, UV-Vis, IR, and other analytical data types, making it an ideal solution for organic chemists, analytical chemists, and researchers across academic, government, and industrial settings.

The platform addresses a common challenge in research and pharmaceutical environments: large volumes of analytical data scattered across file systems and instruments, with limited discoverability or shareability. Mnova DB centralises this data into a structured, searchable repository that teams can access directly within their existing Mnova workflow.

Key Benefits

• Centralised database environment for storing analytical data including NMR, LC/GC-MS, UV-Vis, and IR, alongside chemical structures
• Ranked queries by chemical structure and/or analytical data for faster and more efficient data retrieval
• Tools for managing and controlling databases, including password protection for security
• Quickly create new databases and save analytical records in seconds to enhance productivity
• Access and view reports in multiple formats including tables, records, well plates, and HTML views
• User account management with tiered privilege levels: administrator, power user, and standard user

Creating a Database and Storing Legacy Data

• Companies and research institutes with large volumes of legacy analytical data can consolidate it into Mnova DB for improved management, shareability, and searchability
• Once stored, chemists can retrieve data using Sample ID, Compound ID, peak position, or Retention Time searches, including for unknown compounds
• Mnova provides built-in scripts to upload multiple NMR and/or LC/GC/MS datasets into a database in batch
• Custom scripts can be created for more complex needs, enabling batch processing, automated analysis, and databasing workflows

Saving Data During the Workflow

• Chemists can save their work to the database at any stage, making it immediately accessible to colleagues
• Mnova DB integrates seamlessly with the Mnova Suite, allowing data to be saved or searched without leaving the application
• When working with NMR or LC/GC/MS datasets, users can save raw data, processing parameters, analysis results, annotations, and attached files such as PDFs or Word documents to a chosen database

Efficient Sharing and Searching of Analytical Data

• Search queries can be based on chemical structure or substructure
• Search by 1D or 2D peak locations, 1D multiplets, or m/z values
• Text and numeric field searches are also supported
• Multiple query types can be combined using logical AND/OR operators to iteratively refine search results
• Search results are saved into a temporary database, allowing further refinement in subsequent searches
• The module offers flexible customisation options to suit different organisational needs

Automating Data Delivery to Your Organisation

• Mnova DB setup can be automated so that data is imported directly when acquired by instruments, removing the need for manual file management
• Chemists can retrieve data directly in Mnova using Sample ID, Sample Number, Compound ID, or structure searches rather than browsing file folders
• Automation significantly reduces time spent on data retrieval and improves overall team productivity

Deployment Options

• Mnova DB MyData: Single-user edition for individual users, with local computer connections, one-click installation, and no server licence required
• Mnova DB Group: Multi-user edition for teams, accepting connections from anywhere with easy installation; a server licence is required
• Mnova DB Enterprise: Multi-user edition for organisations with high-volume needs; supports any database backend, LDAP or Active Directory integration, and Oracle or MySQL databases; a server licence is required

Integrations and External Databases

• The Wiley spectral library 1H and 13C NMR of Organic Compounds 2014 is integrated within Mnova DB
• The NIST Database is integrated with over 250,000 MS records available for search
• Mestrelab offers professional scripting services to customise database configurations to specific organisational requirements
• Automated databasing solutions are available to automatically add acquired spectra and chemical data to the database for sharing or further processing

Mnova DB is available on Windows, macOS, and multiple Linux distributions including RHEL, Ubuntu, Debian, and as an AppImage. The Mnova DB Client is included within the Mnova application, with server installers available separately for Group and Enterprise deployments.