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Introducing Database Manager

Database Manager is a module for managing spectral and structural information in Microsoft SQL Desktop Engine (MSDE) database. This module provides powerful library maintenance utilities that enable you to create and organize spectral and chromatographic libraries with chemical structures. In addition, since the program supports ion structures and tree spectra representation you can also create true MSn libraries. Advanced library query and search features provide access to the information needed for compound identification and can help you interpret unknown spectra. A flexible set of search restrictions is available to target your search results, especially useful when you are dealing with large libraries.

Structural and spectral data are clearly organized in spreadsheet-like windows, together with a variety of supplementary information. The number of Database Manager windows that can be opened simultaneously is limited only by system resources. This means unconstrained flexibility in handling spectral and structural data. It is easy to move spectra-structure pairs from one Database Manager window to another, allowing you to organize your libraries, search results and any other data, in the way you need, with a minimum of fuss.

Database Manager provides a simple, customizable tool for creating reports, which can be either printed directly or copied and pasted to a word processor for more advanced reports.

For each record in Database Manager you can view the mass spectrum; a list of peaks; the compound identification information and the neutral losses spectrum, if the molecular mass is available; or you can compare two spectra. This information can be viewed by selecting the appropriate tab.

Database Manager topics:

Open Database Manager Window

Records in Database Manager

Information Associated with a Record

Info Tab Layout

Compare Spectra

Mass Differences

Open Spectra

Save Spectra

Open and Save Spectra References

Select Records

Cut, Copy, and Paste Records

Exporting Spectra to Microsoft Excel

Importing Spectra from Microsoft Excel

Add Structures to Record

Paste Structure to Record

Load Structures to Records

Assign Structure to Peak

Fragment Assignment to Spectral Peaks

Mass Spectral Data Exchange Between Modules

Spreadsheet in Database Manager

Processing Data Reduced Chromatograms

Search Utilities

Spectrum Search

Tree Search

(Sub)Structure Search

(Sub)Structure Search Rules

Name Search

Molecular Formula Search

Molecular Mass Search

ID Number Search

CAS Number Search

Retention Time Search

Search Constraints

See also:

Library Utilities

Spectral Trees

Chromatogram Processor

Components Editor

Report Creator

Microsoft Office in Mass Frontier