Mestrelab Mbook (User Manual)

Significance of the topic

Mbook is a comprehensive electronic laboratory notebook (ELN) tailored to streamline chemical and analytical workflows within research and industrial environments. It addresses critical needs for secure data capture, collaborative experiment planning, and efficient information retrieval. By integrating experiment design, data management, safety assessments, and inventory control into a single platform, Mbook enhances reproducibility and regulatory compliance while reducing administrative burdens and paper-based records.

Objectives and overview

This manual guides users through the deployment and daily use of Mbook version 3.1. It defines the roles and privileges of different user types (Administrator, Group Manager, Project Manager, Bench Chemist, Guest), and explains how to configure teams, create and manage projects, reactions, experiments, and report results. Key modules such as inventory management, COSHH assessments, structure verification, and an optional analytical services submodule (Mbook Analytical) are described in detail to ensure full utilization of the platform’s capabilities.

Methodology and instrumentation

Mbook operates via a web browser interface connected to a central ELN server. Data is organized hierarchically: Groups → Projects → Reactions → Experiments. Users input chemical structures via an integrated Marvin JS sketcher or by importing file formats (mol, cdx, CDXML). Analytical datasets (NMR, MS, ElViS) in raw or Mnova formats can be attached, previewed and processed automatically. An optional verification engine evaluates structure–data consistency. Safety assessments (COSHH) and inventory/stockroom functions are built into the same system. Mbook Analytical extends the core ELN to cover client requests, instrument assignments, service definitions, scheduling, and reporting for NMR, LC, GC, MS and other techniques.

Main results and discussion

• User and group configuration: Flexible creation of users with granular permissions and custom roles for inventory, safety, or structure management.
• Project lifecycle: Definition, editing, closing and subproject management, with export/import in XML/SDF/ZIP formats and PDF reporting.
• Reaction and experiment management: Visual reaction schemes, automated stoichiometric tables, cloning, linking of text and table entries, and generation of structured PDF reports.
• Data integration: Direct handling of spectroscopic data, images and bibliography within experiments.
• Inventory and stockroom: Centralized reagent database, bottle tracking, location hierarchies, and live link between experiment consumption and stock levels.
• Safety and compliance: COSHH assessments tied to compound usage, digital signatures, witness and approval workflows.
• Analytical services: Client-driven request module, instrument scheduling, sample tracking, result approval, and real-time reporting.

Benefits and practical applications

• Enhanced data integrity through access controls, audit trails and digital signatures.
• Improved collaboration within and across research teams by consolidating chemical, analytical and safety information.
• Reduced manual errors in stoichiometry and reagent tracking by linking experiments to inventory.
• Streamlined report generation for projects, reactions and experiments, facilitating compliance and knowledge sharing.
• Scalable integration of analytical services for contract research, enabling client portals and transparent sample workflows.

Future trends and potential uses

Advances in cloud adoption, artificial intelligence and instrument integration will drive further automation of data capture and structure verification. Seamless connectivity with external databases, robotic platforms and LIMS will expand Mbook’s role in high-throughput environments. Enhanced analytics modules may incorporate predictive reaction outcomes, automated safety classification and real-time KPI dashboards for research and quality control.

Conclusion

Mbook 3.1 offers a unified platform that bridges experimentation, data management, safety compliance and inventory control. Its modular architecture and rich feature set support diverse workflows from synthetic chemistry to analytical services. By centralizing information and automating routine tasks, Mbook empowers research teams to focus on scientific innovation and maintain rigorous documentation standards.

Used instrumentation

• Web-based ELN server and browser-based GUI
• Integrated Marvin JS chemical sketcher
• Spectroscopic data handling for NMR (1H, 13C, HSQC, COSY, HMBC), MS and ElViS
• Mnova document integration and raw data processing
• Optional verification engine for structure–data consistency checks
• Optional analytical services module supporting NMR, LC, GC, MS and allied techniques

References

• Mestrelab Research Mbook 3.1 Manual, Last Revision: 12-Sept-2022
• http://resources.mestrelab.com/category/resources-by-product/resources-mbook-resources-by-product/
• https://resources.mestrelab.com/mbook-faqs/
• https://mestrelab.com/pdf/manuals/mbook/Mbook-3-0-Manual.pdf