ChemDraw contains several tools that assist with Mass Spec analysis. These tools consist of the Chemical Analysis calculations, Isotopic Abundance graphs, Mass Fragmentation tools, and the Periodic Table tool.

• Chemical Analysis calculations: Based on the natural isotope abundances of all elements, ChemDraw calculates molecular weights; element analysis; and m/z ratios.
• Isotopic Abundance graph: Charts the most prevalent natural isotope molecular weights. This chart matches the whole-molecule fragment peaks of a Mass Spectrum.
• Mass Fragmentation tool: Shows the fragment molecular weights as you select possible fragmentation points, for comparison to Mass Spectra fragment peaks.
• Periodic Table tool: Shows the ratios of the natural isotopic abundance for each element's isotopes, and the natural atomic weight. This is ChemDraw's source for all other calculations, and is kept in a customizable data file.

ChemDraw provides substantial tools for interpreting Mass Spectra, including tools to calculate isotopic abundances; tools to interpret the whole-molecule and fragments peaks on a Mass Spec; and tools to override natural isotope abundances manually.

Read more about ChemDraw’s Spec Analysis tools
or View an Oligomer Searching in ChemDraw webinar

Research scientists worldwide rely on a wide variety of data to assist them with essentially all facets of their daily jobs. A scientist routinely has to search numerous internal and 3rd party databases to compile all the background information he needs. One common complaint from users is the need to perform the same search repetitively through different interfaces in order to search each of these disconnected data sources.

CambridgeSoft Corporation now offers the solution to meet this need. With Chem&BioFinder Enterprise, corporate IT staff and scientists can work with CambridgeSoft's experts and tools to create a custom experience to meet any organization's research needs.

Chem&BioFinder Datamart Development Service

This service provides for both R&D and IT staffs to work with CambridgeSoft experts to:

• Analyze corporate and third party databases for both content and structure.
• Create a custom datamart with indexing for key data fields and chemical structures using Oracle Cartridge and other tools.
• Create links to original data source.
• Enhance the datamart with CambridgeSoft's Database AI tools, for example:
  • Carry out molecular profiling using Oracle Cartridge and ChemScript to calculate physical properties, InChI identifiers, 3D structures, etc.
  • Perform structure normalization and other manipulations such as salt stripping.
  • Incorporate internal report repositories using ChemFinder/Text and Name=Struct.
  • Use visualization and data mining tools to enhance data perception and retention.

Read more about ChemBioFinder Enterprise solutions
or View a related webinar on Organizing Information in a Global Environment

The Drug Degradation Suite consists of three distinct modules, each useful as a stand-alone application, but in concert they combine to create a powerful tool. Scientists can utilize this tool either as a reference database or to monitor and predict products from an unlimited number of chemical reactions.

Drug Degradation Database — a rich collection of degradation experimental results from 300 common Active Pharmaceutical Ingredients (APIs). Karen Alsante's lab at Pfizer gathered documentation on degradants of these 300 compounds under various conditions as "degradation experiments". The real usefulness of this database comes not from having information about these 300 particular APIs, but from the fact that all of these degradation processes are searchable by functional group and by chemical substructure.

A Writable Drug Degradation Database Application — the application has exactly the same format as the Drug Degradation Database, but in this application Scientists enter their own experiments, results, and proposed mechanisms. These data are kept in a central Oracle database and are searchable just like the DDD. The application has its own set of privileges on the ChemOffice Enterprise system. This allows administrators to grant read-only, read-write, or read-write-approve rights to each user.

CambridgeSoft's Document Manager — Docmanager serves as a repository for documents associated with any of your ChemOffice Enterprise applications, most notably for this article, Drug Degradation. DocManager loads and indexes MS office-supported and PDF files, storing them in a centralized Oracle database. Stored files are searchable by text or chemical structures (in any of a variety of chemical structure formats) by anybody who is a user in the DocManager system.

Read the full Drug Degradation Suite article
or View a related Feature Clip on Using ChemACX searches

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