The ChromaLynx™ Application Manager automates the processing of LC/MS or GC/MS and LC/MS/MS or GC/MS/MS data. While the high chromatographic separation efficiency and narrow peak widths typical of GC/MS often increase the challenge to identify co-eluting components, ChromaLynx facilitates the rapid detection, identification and semi-quantitative determination of all components.
More on the ChromaLynx Application Manager
Manually reviewing complex chromatograms to locate potentially significant components is a laborious, time-consuming and subsequently expensive task that is often only partially successful; some closely eluting components are often missed.
Meanwhile, the need to qualitatively and semi-quantitatively analyze complex mixtures is encountered in many industries. From the development and QC of flavor and fragrance compounds, to the study of plant metabolism to identify the effects of genetic modification, there are many common requirements that are addressed by ChromaLynx:
- Detect and locate the maximum number of components in the sample
- Identify of the maximum number of components in the sample
- Estimate component concentrations
- Compare of samples to controls to identify common and unique components
Spectral Deconvolution
The key to the exceptional performance of ChromaLynx is its proprietary chromatographic deconvolution algorithm. This provides exceptional efficiency for the location, peak detection and generation of clean mass spectra of closely eluting components in complex mixtures.
A unique feature of the algorithm is its ability to retain exact mass measurements (when used with exact mass instruments such as the Waters GCT™ or LCT Premier&trade XE), enabling calculation of elemental composition from the clean deconvoluted mass spectra. Data is then available for easy review in the dedicated ChromaLynx deconvolution browser.
Automated Library Searching
Deconvoluted mass spectra can be automatically searched against commercially available libraries. Using instruments providing exact mass measurement, the resulting elemental composition calculations from exact mass spectra can give confirmation of the library search results.
Library Confirmation using Accurate Mass Library Scoring
ChromaLynx uses accurate mass library scoring to verify the elemental composition of significant ions in the spectrum of an unknown sample component when compared to potential ions in a library match. Library hits are scored according to the agreement between the measured masses of ions in acquired spectral data and ions that are theoretically possible based on the elemental composition from the library.
Further confidence is provided using Waters’ i-FIT isotope fit algorithm. The end result is improved confidence in component identity and fewer false positive library matches.
Semi-Quantitative Determinations
In many cases, although the major feature of an analysis is qualitative, it is often necessary to semi-quantitatively measure the concentration of, for example, a component giving a bad odor to a product or an unexpected metabolite in a genetically modified plant.
ChromaLynx will generate a percentage figure corresponding to the peak area of the component relative to the total sample peak area or to that of a user selected component peak.
Chromatographic Comparison
The comparison of two samples and determination of common and particularly unique compounds is a requirement in many industries. For example, the difference between a tainted batch of a beverage and a known good batch, or a counterfeit fragrance and a patented fragrance, may be one unique component or may be several unique ones amongst hundreds or in some cases thousands of other components.
ChromaLynx enables automatic deconvolution of complex chromatograms, comparison and the generation of a list of unique (or common) components that then undergo an automated library search for identification. Data is then available for easy review in the dedicated ChromaLynx comparison browser.
TOP RELATED KEYWORDS