ACD/Spectrus Processor
One-of-a-kind software to help you get answers from analytical data no matter the analytical technique or instrument vendor
Process, interpret, analyze, and review NMR, LC/MS, IR, and other analytical data, in one interface. ACD/Spectrus Processor provides support for all your major instrument vendor data formats (view supported data formats), and assistance with confirmation that spectral data matches a given chemical structure/structural fragments. Retain your interpretations and assignments, and create publication-ready data with a few clicks.
- All-in-one processing and interpretation software for NMR, LC/GC/UV/MS, IR, and other techniques
- Support for data formats from most major instrument vendors
- Assistance with routine chemical structure confirmation
- Sophisticated reports in one click
Pricing
Windows version only (see Requirements tab below).
All prices in USD. Exchange rate fluctuations may occur. If you prefer to purchase in your local currency, please contact us for a quote.
Contact us if you have any questions about your eligibility.
Processing & Interpretation
- Handle 1D and 2D NMR data (from COSY, HETCOR, TOCSY and HMQC/HMBC/HSQC experiments) for 1H, 13C, 15N, 19F, 31P nuclei
- Carry out basic spectral manipulations including Fourier Transform, weighting functions, phase and baseline correction, and calibration
- Support for import of FID and FT data from all major spectrometer vendor formats
- Automate routine workflows for pre-processing upon data import
Structure Verification
- Confirm the consistency of chemical structures with experimental data (1D and 2D) with one click.
Spectral Library Searching
- Search records by a variety of structural, spectral and text-based parameters
- Overlay results on the query spectrum with color highlighting of matching signals
Processing & Interpretation
- Support for most instrument vendor formats
- Automate routine steps of analysis by selecting pre-processing upon data import
- Automatically confirm mass or molecular formula by the correspondence of mass spectral peaks
- Add a structure, formula, or mass to the Table of Components to automatically extract a relevant mass chromatogram
- Search peaks or a spectrum against a spectral library for fast compound identification
Assisted Chemical Structure Confirmation
- Add a structure, an elemental composition, or a mass into the Table of Components to automatically extract a relevant mass chromatogram, or assign a peak to generate a mass spectrum
- Examine the consistency of monoisotopic and isotopc peaks with experimental data using color-coded MS match categories
Spectral Library Searching
- Search and view processed and interpreted analytical data; both in commercial and in-house databases
Processing & Interpretation
- Support for most instrument vendor formats
- Perform peak detection, smoothing, baseline correction, and integration
- Assign chemical structures to peaks on your chromatogram
- Display a series of associated chromatograms with structures, peak data, and annotations
- Automate routine workflows with pre-processing options upon data import
Chromatographic Library Searching
- Search records by a variety of structural, spectral and text-based parameters
Processing & Interpretation
- Process and interpret data from a variety of optical techniques
- Automate repetitious processing tasks with macro commands which can be applied to a spectral series as well as to a single spectrum
- Attach chemical structures to analytical spectra; and assign peaks to chemical structural fragments, or directly to entries in the knowledgebase when a structure is not available
- Import and export data from a variety of file formats
Structure Verification
- Verify chemical structures with experimental IR or Raman spectra using the knowlegebase of spectra-structure correlations
Spectral Library Searching
- Search records by a variety of structural, spectral and text-based parameters
- Overlay results on the query spectrum with color highlighting of matching signals
Processing & Interpretation
- Manage a wide range of analytical data, including EELS, thermal analysis, DMA, calorimetry, and much more
- Perform various X- and Y-axis conversions and data manipulation
- Automate routine tasks with advanced macro processing tools
- Attach chemical structures to curves
- Import and export data from a variety of file formats
Library Searching
- Search records by a variety of structural, spectral and text-based parameters
- Overlay results on the query spectrum with color highlighting of matching signals
Operating System Requirements:
- Microsoft Windows 8.1 (x64)
- Microsoft Windows 10 (x64)
Hardware Requirements
- Microsoft Windows compatible PC with minimum 2-core CPU
- 4 GB or more RAM
- Minimum of 40 GB of disk space
Software Requirements
- .NET Framework Version 2.0, 3.5, 4.5.2 (required for importing some file types)*
* ACD/Spectrus package may require:
- .NET Framework Version 2.0 to import Agilent LCMS 6000 files and use the PowDLL converter for XRPD files
- .NET Framework Version 3.5 to import Bruker CompassXtract files
- .NET Framework Version 4.5.2 to support a scripting engine that uses .NET Assemblies