Bruker Daltonics Introduces Next-Generation Qq-TOF Mass Spectrometer with Breakthrough for Unambiguous Molecular Formula Determination

At Pittcon 2008, Bruker Daltonics today announces its next-generation Qq-TOF mass spectrometer: the micrOTOF™-Q II sets new performance standards in fast, high resolution and accurate mass LC/MS/MS performance in proteomics, biomarker profiling, metabolomics and other small molecule applications. It offers the truly unique, breakthrough on-the-fly SmartFormula™ 3D method for the unambiguous 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 best 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 greatly improved specificity over just accurate mass measurements, and is a well established method on the micrOTOF series. On the new micrOTOF-Q II, Bruker’s novel, proprietary 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 unique 0.002 Dalton high-resolution Extracted Ion Chromatogram (hrEIC) mode of the micrOTOF-Q II offers a nearly unlimited target compound number. This unique and universal 2 mDa hrEIC screening approach greatly 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.
Dr. Ian Sanders, Bruker Daltonics Executive Vice President of Sales & Marketing, stated: “The underlying fundamentals of our micrOTOF-Q product line have always been superior and transformed the market place with the introduction of true stable accurate mass data plus high fidelity isotopic fit for sum formula determination. The new micrOTOF-Q II performance and on-the-fly unambiguous SmartFormula 3D redefine what the discovery scientist should expect from high resolution, high speed LC/MS/MS.”