Bruker Daltonics Introduces Qq-TOF Mass Spectrometer with Molecular Formula Determination
Date Posted: Wednesday, May 21, 2008
At Pittcon 2008, Bruker Daltonics has announced its Qq-TOF mass spectrometer: the micrOTOF™-Q II sets new performance standards in high resolution mass LC/MS/MS performance in proteomics, biomarker profiling, metabolomics and other small molecule applications.
The instrument offers on-the-fly SmartFormula™ 3D method for the sum formula determination of small molecules, even up to 1 kDalton in mass. The new micrOTOF-Q II is also fully compatible with fast LC systems, offering specifications of mass resolution greater than 17,500 on up to 20 spectra per second, thus providing the simultaneous speed and resolution combination available - far superior to orbital trap technology for fast separations.
Automated, routine molecular sum formula determination by accurate mass combined with precision isotopic pattern matching, using Bruker’s SmartFormula™, has proven specificity over mass measurements, and is a well established method on the micrOTOF series.
On the new micrOTOF-Q II, Bruker’s SmartFormula 3D method now combines the on-the-fly analysis of accurate mass and isotopic patterns of both MS and MS/MS spectra of the same compound, using a sophisticated relational algorithm.
With the attained even greater specificity, the SmartFormula™ 3D method now elevates confidence in the on-the-fly, automated confirmation, identification and molecular formula determination of small molecules up to 1 kDa to an unprecedented level.
This 3-dimensional method for confident sum formula determination has been co-developed with the department of Structure Elucidation of Pfizer’s Analytical R&D organization in the UK. Dr. Don Richards, Head of Structure Elucidation at Pfizer UK, said, "Our joint development of SmartFormula 3D on the micrOTOF-Q solves real-life identification problems in a dramatically reduced time - we call it the Molecular Formula Machine."
With mass accuracy of 1-2 ppm plus typical mass resolution of better than 20,000 at full 20 Hz time resolution, the new micrOTOF-Q II is an outstanding, yet robust high-performance system for many analytical challenges, including quantitation in LC/MS/MS proteomics, metabolite ID and other small molecule applications.
In multi-target screening applications in food, forensic and environmental analysis, where traditionally triple-quadrupole instruments are used, the 0.002 Dalton high-resolution Extracted Ion Chromatogram (hrEIC) mode of the micrOTOF-Q II offers a nearly unlimited target compound number.
This universal 2 mDa hrEIC screening approach speeds up and simplifies high throughput analysis. Importantly, the micrOTOF-Q II using hrEIC is able to detect and identify unexpected contaminants (even retrospectively) which simply are not measured at all if they are not already in a preset MRM target compound list of a conventional triple-quad system.
Further Information: http://www.bdal.de/
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