A Streamlined Workflow for the Rapid Identification of Unknowns
This application note demonstrates how MS Structure ID Suite can be used to help you identify known unknowns in your samples.
Make the most of your LC optimization software with traditional and creative approaches
Are you making the most of your LC optimization software? Do you incorporate it seamlessly into your workflow, or is there room for improvement? In this webinar, Imad Haidar Ahmad (Associate Principal Scientist, Merck) will show us how he uses optimization software to develop methods more efficiently. From a traditional 3×3 approach to novel peak...
Webinar II: What’s in my NMR tube? An overview to the process of structure characterization
In the second webinar of our series, we will advance to unknown structure elucidation using computer assisted structure elucidation (CASE). CASE systems have significantly contributed to de novo structural elucidation of thousands of natural and synthesized compounds. Here, we will demonstrate how by using a molecular formula, CASE can find the chemical structure that best...
Webinar I: What’s in my NMR tube? An overview to the process of structure characterization
In the first webinar of our series, we start by matching the spectral data against the entries from open access databases to check if the compound has been previously identified and avoid repetition of work (dereplication). The next step in structure determination is to verify the match between a proposed structure and the experimental NMR...
Creating a Scientific Information Library Using ACD/Spectrus Platform
The wealth of analytical information that is generated every day in R&D organizations can provide rich insights, even months after the initial acquisition of data. With this increase in data, however, comes a significant challenge to combine, organize, access, visualize, and mine these informational repositories. In addition to the challenges of the growing volume and...
Applications in MS: Meeting Modern Deformulation Challenges
Current deformulation scientists face MASSive exSPECtations—they are required to detect, screen, and identify unknowns with increasing efficiency despite shrinking analytical group sizes, pressure to perform more diverse activities, increased outsourcing of work, and slow, tedious, and error-prone methods. As a result analysts are left with much less time to devote to complex deformulation projects, while...