ChemAxon and BSSN Software Partner to Offer Analytical Data Management in a Chemical Context

17 Jun 2015
Lois Manton-O'Byrne, PhD
Executive Editor

Industry news

ChemAxon, a leader in providing chemistry software solutions and consulting services for life science research, and BSSN Software GmbH, a specialist in vendor-independent analytical data management, are announcing a partnership that allows users to manage analytical data in ChemAxon's chemistry software solutions using open standards.

This partnership has led to the development of a Mass Spectrometry Add-On for ChemAxon’s Instant JChem™ which enables storing, searching, and displaying of mass spectrometry data in the context of chemically aware databases. The Mass Spectrometry Add-On leverages the capabilities of BSSN Software's Seahorse Scientific Workbench® technology and the ASTM AnIML analytical data standard to interface with instruments from all major vendors. Users can import structure and mass spectrometry data from many formats, including the NIST/EPA/NIH Mass Spectral Library, enabling fully integrated analytical data management.

With a new Mass Spectra Form Widget, users can perform spectrum similarity searches based on a spectrum query, as well as search for spectra by structure or other chemical query terms. Search results or data library browsing can display the spectra alongside chemical information in a display widget that can zoom, identify peaks, and display query and result spectra alongside each other.

Seahorse Scientific Workbench® is a vendor-neutral software suite for capturing, analyzing and sharing analytical and biological data, while Instant JChem™ is a desktop application designed for chemists to create, explore and share chemical and non-chemical data in local and remote databases.

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Mass SpectrometryMass spectrometry (MS) is a powerful analytical technique used to identify and quantify molecules based on the mass-to-charge ratio of gas-phase ions. It provides detailed information about the structure, composition, and properties of compounds and is widely used across fields such as environmental monitoring, materials science, drug discovery and development, food and beverage testing, and wider chemical research. Key MS techniques include tandem mass spectrometry (MS/MS), liquid chromatography–mass spectrometry (LS-MS) and inductively coupled plasma (ICP-MS). Choosing from these wide range of techniques and technologies can be a daunting task, so keep up to date with scientific applications, performance expectations, and customer reviews here all in one place. Visit our product directory to receive quotes direct from the manufacturer. Data AnalysisData analysis hardware and software is available to make data processing straight-forward yet powerful. Data software can be used for math and stats, technical graphing and image analysis. In addition, software is available for specific data analysis of electrophoresis, densitometry, ELISA and DNA sequencing.Integration ServicesIncorporate lab systems, software and equipment with integration services.Data MiningData mining is an important process for extracting information, patterns and trends from data. Data mining software, databases, reference materials and storage packages are available to process lab data.Molecular Recognition SoftwareMolecular recognition software is widely used to analyze DNA, RNA, proteins and chemicals. The software can be useful for graphical viewing, comparative analyses, high-throughput screening, genomics, proteomics and phylogenetics. Molecular recognition software uses bioinformatics tools and analyses such as BLAST searches and generates structural predictions, 3D structures and sequencing information.Software PlatformsSoftware platforms are useful for various stages of laboratory experiments from data collection to data storage and processing. For instance lab software is available for system control, data management, data analysis and qualification / validation.Spectral LibrariesData Management
ChemAxon and BSSN Software Partner to Offer Analytical Data Management in a Chemical Context