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ACD/ChemAnalytical Workbook: Chromatography Functionality

  • Readily process chromatograms and assign structures to individual peaks

    Readily process chromatograms and assign structures to individual peaks

  • Display a series of chromatograms with distinct peak and structure data

    Display a series of chromatograms with distinct peak and structure data

  • Use algorithmic LC/UV peak matching to visualize peak tracking between experiments

    Use algorithmic LC/UV peak matching to visualize peak tracking between experiments

ACD/ChemAnalytical Workbook is a multi-technique analytical data processing and interpretation application that provides a number of chromatography-specific capabilities.

Processing & Interpretation

Chromatographic Library Searching

ChemAnalytical Workbook provides powerful database creation and searching capabilities. Store experimental records that include all relevant analytical data, and are searchable by a variety of structural, spectral and text-based parameters. For in-house databases, ChemAnalytical Workbook offers corporate knowledge-sharing by providing the ability to re-process and re-interpret data to help answer new questions.

A subset of the Supelco Applications Database (along with a number of other technique-specific content databases) is included with ChemAnalytical Workbook, allowing you to test these capabilities. This subset contains 1444 HPLC/UHPLC applications, and 275 GC applications (the majority include structures assigned to peaks).

Learn more about the chromatography applications databases available from ACD/Labs.

Complete list of supported file formats for all products.


Vendor Data Format Extension Comments
ACD/Labs ACD/Spectrus
ACD/SpecManager
*.spectrus
*.esp
Matrix a *.txt
Open Source ASCII a *.txt; *.prn; *.csv; *.asc
Agilent 1100 Series LC/MSD Quad and Ion Trap Systems *.ms, *.yep UV, LC-UV and LC-MS
ChemStation
Rev. B.02.01, B.03.01, B.04.01, B.04.02, B.04.03, C.01.04
*.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uv
Open Lab C v.1.04 *.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uv
Open Lab Rev. C.01.07, C.01.08, C.01.09 *.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uv
EZChrom *.dat UV traces only. Requires vendor software on same computer.
AB SCIEX Analyst *.wiff LC-UV and LC-MS
Bruker and Agilent Agilent or Bruker LC/MS Ion Trap *.yep LC-UV and LC-MS
Bruker Compass
(accurate mass data)
*.D LC-MS, LC-UV, UV
Entire *.D folder should be used.
MATLAB DSO a *.mat
PerkinElmer  TotalChrom™ *.raw Import was supported via Connect to2 until ACD/Labs products v. 2018
Pic Solution    *.dat.csv LC traces
Shimadzu Corporation LCMS-IT-TOF *.lcd LC-MS and LC-UV1
Requires vendor software on same computer.
LCMSsolution *.qld LC-MS, LC-UV and UV traces
May require vendor software on same computer
Thermo Scientific Atlas PDA and DAD traces via Connect to2, or using an ACD/Atlas Add-on
Xcalibur *.raw LC-MS, LC-UV and UV traces
Chromeleon 6; 7 UV and LC-UV, via Connect to2, or using an ACD/Chromeleon Add-on
Generalized Analytical Markup Language Hierarchy (GAML) *.gaml LC-UV and LC-MS data
Unidata netCDF *.cdf, *.nc LC-MS, LC-UV and UV traces
Waters Corporation MassLynx *.raw LC-UV and LC-MS
Micromass OpenLynx *.rpt LC-UV and LC-MS
Empower LCUV data *.arw LC-UV
Empower 2 and 3 UV, LC-UV and LC-MS traces, via Connect to2 or using an ACD/Empower Add-on
UNIFI via Connect to2

a File export is also supported.
1 To import *.lcd files from version 5.42SP2, vendor software should be installed on the same computer.
2 Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.

List of Features