Extract, Retain, and Share Analytical Knowledge

5 Mar 2012
Roger Wayman
Administrator / Office Personnel

Product news

ACD/Labs will introduce ACD/Spectrus Workbooks at PITTCON 2012 — a portfolio of technique-specific software for spectroscopists, spectrometrists, and separations scientists that provide advanced data processing, interpretation, and information management. This new generation of expert tools builds upon almost two decades of experience developing applications and algorithms for analytical chemists.

Advanced Processing and Interpretation at your Desktop

Continuing collaborations with major instrument vendors mean that ACD/Labs support the majority of file formats for all major instruments and techniques. Giving scientists the freedom to process and analyze data away from the instrument, at their desktop.

Chemical Intelligence in the Treatment of Analytical Data

The foundation for the chemical intelligence in Workbooks is built on an unprecedented ability to truly integrate chemical structures with analytical data. The ability to fully handle chemical ambiguity with Markush structures; to automatically evaluate and associate atoms in a chemical structure with their 1D and 2D NMR measurements; along with compound fragmentation and Auto Assignment in MS; are just a few examples of innovative scientific algorithms that are available in various Spectrus Workbooks.

Multi-technique Processing and Interpretation

All Spectrus Workbooks include ACD/Spectrus Processor, allowing you to process and interpret analytical data for all techniques (NMR, LC/UV/MS, IR, Raman, and more).

A Project Environment to Organize all Study-Related Information

All study-related information can be organized in one place for each individual or team. Connected in a chemically relevant way, analytical, chromatographic and chemical information can be displayed, reviewed and studied as a whole. This helps to facilitate the decision-making process for the current project and provides a collaborative science environment for your organization.

Knowledge Management and Sharing for Collaborative Science

Capturing the relationship between analytical data, chemical structure, and the scientist’s decision-making in electronic form represents the core of ACD/Spectrus Workbooks. Store, search, and retrieve annotated and interpreted analytical data easily using the database read and write capabilities.

As part of ACD/Spectrus chemical and analytical knowledge management, the Workbooks surpass traditional data storage and access limitations to enable thorough knowledge-sharing within laboratories and departments, throughout and even between organizations, both today and for future problems and projects.

The Spectrus Workbooks can be seen at ACD/Labs booth, #1174, at Pittcon 2012.

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Infrared / IR SpectroscopyInfrared (IR) spectroscopy measures the interaction of infrared light with a sample, including transmission, reflectance & absorbance, facilitating the identification of analytes. Equipment used for quantitative analysis includes Fourier-transform infrared (FTIR) spectrometers, infrared cameras, FTIR gas analyzers, as well as attenuated total reflectance (ATR) accessories and pellet or film presses. Find the best IR spectroscopy products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Mass SpectrometryMass spectrometry (MS) is a powerful analytical technique used to identify and quantify molecules based on the mass-to-charge ratio of gas-phase ions. It provides detailed information about the structure, composition, and properties of compounds and is widely used across fields such as environmental monitoring, materials science, drug discovery and development, food and beverage testing, and wider chemical research. Key MS techniques include tandem mass spectrometry (MS/MS), liquid chromatography–mass spectrometry (LS-MS) and inductively coupled plasma (ICP-MS). Choosing from these wide range of techniques and technologies can be a daunting task, so keep up to date with scientific applications, performance expectations, and customer reviews here all in one place. Visit our product directory to receive quotes direct from the manufacturer. NMR and EPR SpectroscopyNuclear magnetic resonance (NMR) spectroscopy is used to resolve the local chemical environment of atomic nuclei with spin, revealing information on molecular structure, dynamic processes and chemical reactions of organic molecules, from proteins to synthetics. Electron paramagnetic resonance (EPR) also known as electron spin resonance (ESR) spectroscopy is used to detect and quantify paramagnetic species in a sample, including free radicals as transition metal ions. By immersing the sample in a strong magnetic field, both NMR and EPR spectrometers probe the sample with either radio waves or microwaves respectively. A range of benchtop, solid-state and time domain NMR spectrometers & EPR spectrometers are available, as well as NMR tubes, NMR solvents, software, coils, and magnets. Find the best NMR & EPR equipment in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Raman SpectroscopyRaman spectroscopy is used to discern the vibrational and rotational states of molecules and hence the chemical composition of a sample by measuring the inelastic scattering of monochromatic light. Explore a range of Raman spectrometers, including handheld/portable Raman spectrometers for QC/QA labs and in situ spectrometers for processes. Conduct Raman imaging for microanalysis of mixed samples using a Raman microscope. Raman spectrographs are also available. Find the best Raman spectroscopy products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.UV-Visible SpectroscopyUltraviolet-visible (UV-Vis) spectrophotometers are used to measure the interaction of UV and visible light with a sample, including transmission, reflectance & absorbance. The two major instrument classes are single-beam or double-beam spectrophotometers. More specialized equipment includes colorimeters, spectroradiometers and refractometers. Portable and microvolume spectrophotometers are also available. For the modular spectroscopy lab, explore a range of light sources for combination with a spectrograph/spectrometer and optics. Find the best UV-Vis spectroscopy products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Electronic Laboratory NotebooksElectronic Laboratory Notebooks (ELNs) are becoming increasingly popular for documenting experimental processes and for lab data management. An ELN is informatics software which can be biology specific, chemistry specific, cross-disciplinary or web-based. Advantages of an electronic lab notebook include increased data protection, efficiency and straightforward data searching and sharing.Technique-Specific SoftwarePittconPittcon is one of the largest conferences and exhibitions dedicated to laboratory science. It brings together professionals and innovators in analytical chemistry, physics, and biology, offering a platform to explore the latest scientific tools and technologies. From cutting-edge laboratory instruments to emerging research trends, Pittcon is a must-attend event for professionals in research and development.
Extract, Retain, and Share Analytical Knowledge