• Authors: Santiago Dominguez Vivero (CEO at Mestrelab Research)
  • Reference: Mestrelab at ACS Spring meeting 2016

Abstract:


Laboratory notebooks represent a critical component of the research and development workflow of many companies and academic and research groups. Whilst many research organizations are still using handwritten recording procedures, Electronic Laboratory Notebooks (ELNs) are progressively replacing traditional paper books in both commercial research establishments and academic institutions.
A plethora of new ELN products have been rolled out across the pharmaceutical and chemical industry by a rising legion of vendors in recent years. The result is a motley crew of ELNs, ranging from generic authoring tools to custom solutions dedicated to very specific scientific disciplines.

In this talk we present Mbook, a new cloud-based ELN (in-house or client-server versions are also supported) specially designed for the field of organic synthesis and which implements unique features in the context of analytical data handling that makes it stand apart from other ELN solutions. These include:

– Ability to automatically process, analyse, store and report raw NMR data recorded in all NMR manufactures (both high field and benchtop NMR instruments are supported) as well as LC/GC/MS data acquired in many different formats.

– A new powerful fully automatic structure verification (ASV) system of small molecules using NMR, LC/GC/MS or both jointly. More specifically, this ASV module can be used with raw samples before purification to get a quick assessment about whether or not the expected product has been successfully produced as the result of a reaction. In addition, it can also be used with purified samples to get a higher degree of confidence of the proposed molecular structure, for example for registration, which is also supported in one single click by the integration between Mbook and a cloud-based Mestrelab registration system.
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