ACD/MS Workbook Suite—Characterization and Identification of Compounds Using LC/UV/MS and GC/MS Data

Simplify Compound Screening and Structure Characterization Workflows

ACD/MS Workbook Suite. Software for mass spectrometrists involved with targeted and non-targeted compound screening and chemical characterization.

ACD/MS Workbook Suite brings together advanced tools and algorithms for mass spectrometrists who are characterizing and identifying compounds through LC/UV/MS and GC/MS data. The software also facilitates knowledge-sharing through the creation of libraries of structures, spectra, and chromatograms, and customized reporting capabilities.

MS Workbook Suite handles mass spectrometry data in most major instrument formats including AB SCIEX, Agilent, Bruker, LECO, PerkinElmer, Shimadzu, Thermo, Waters, and more. Use powerful processing and interpretation functionality to help characterize or identify compounds more quickly.

Supported File Formats ACD/MS Workbook Suite: Supported File Formats

Advanced Processing & Interpretation

ACD/MS Workbook Suite: Component ExtractionComponent Extraction

ACD/MS Workbook Suite: Identification Identification

ACD/MS Workbook Suite: Characterization Characterization

ACD/MS Workbook Suite: List of Key FeaturesList of Key Features

Knowledge Management—Create Databases of LIVE Spectra with Chemical Context

MS Workbook Suite enables the creation of fully searchable databases of mass spectra, chromatograms, and UV spectra together with structures, assignments, annotations and other associated data. By capturing not only the analytical data but also the relationship between structure and spectrum, and the human interpretations used as justification, MS Workbook Suite enables effective sharing of knowledge among colleagues. Read more ACD/MS Workbook Suite: Knowledge Management

ACD/MS Workbook Suite: List of Databasing Features List of Databasing Features

Use Automation and Scripting

An array of capabilities for workflow automation, speeding up routine manual processing operations, automating migration of old data files, or populating spectral databases with predicted properties. Custom integration with other applications, such as LIMS, facilitates workflows and expands laboratory informatics systems with analytical chemistry capabilities.
More on ACD/Labs Scripting and Automation ACD/Labs Scripting and Automation

Multi-Technique Data Handling

ACD/MS Workbook Suite also includes general processing tools for NMR, IR, Raman, chromatography, and other analytical techniques; support for most instrument vendor data formats; and assistance with chemical structure confirmation.

Process and analyze mass spectral data in an expert environment, and share knowledge more easily than ever before.

Expanded Capabilities with Advanced Add-On Modules for MS Workbook Suite