Advanced Chemistry Development (ACD/Labs) has introduced ACD/IntelliXtract, a LC/MS software package for automated molecular weight identification and LC/MS data interpretation.
Advanced Chemistry Development (ACD/Labs) has introduced ACD/IntelliXtract, a LC/MS software package for automated molecular weight identification and LC/MS data interpretation.
As LC/MS instrumentation has improved, the analysis bottleneck has shifted from sample acquisition to data analysis and interpretation.
ACD/Labs' IntelliXtract eases the data analysis burden by combining existing ultra-sensitive peak extraction and noise reduction technology with a unique algorithm for automatic component identification and spectrum interpretation.
IntelliXtract may also be used for comparison of samples.
Mark Bayliss, director of analytical informatics for ACD/Labs, stated: "This project is the result of more than two years of development, challenging every aspect of our thinking, capabilities and knowledge, producing a product that has more than exceeded our original expectations".
"Our software development collaborators, working in the chemical and pharmaceutical industries, have reported a reduction of interpretation times from days (or weeks), to minutes (or days), even for complex samples containing many trace compounds".
ACD/IntelliXtract is the first commercially-available LC/MS software package that closely mimics the approach an expert mass spectrometrist would use for manual data analysis.
This means that all the information that an expert uses to interpret a spectrum, such as 12C/13C ratios, ion adducts, multimers, isotopes, neutral losses, and fragment ions are considered by the software, providing accurate molecular weight identification in a fraction of the time of manual data review.
Designed for speed, reliability, and ease-of-use, ACD/IntelliXtract uses an exclusive self-optimising algorithm, which means that analysts do not have to worry about overlooking a key compound because of incorrect software parameters.
Bayliss added: "Oftentimes, the hurdle to the adoption of new software technologies is the steep learning curve associated with optimising input parameters".
"Therefore, IntelliXtract was built to perform complex analysis procedures with a minimum of user optimisation".
ACD/IntelliXtract can be used to complement manual interpretation of data, or for automated data analysis in high-throughput laboratories.
IntelliXtract also can be used for sample comparison, which is useful for metabolism studies, impurity and degradant analysis, patent protection, and other areas.
ACD/IntelliXtract builds on ACD/Labs' years of expertise in software for multi-technique spectral analysis, and complements its existing range of mass spectrometry products.
ACD/IntelliXtract works with file formats from all major instrument makes and models, so users are not limited to a specific file format or instrument type.
