Multi-compound LC-MS-MS analyses

1st April 2013

Waters Corporation's latest version of QuanOptimise is an enhanced plug-in for the market leading Mass-Informatics platform (MassLynx 4.0).

QuanOptimise allows quick and secure implementation of multi-compound quantification studies through a simple graphical user interface. MassLynx software manages results from Micromass brand spectrometers and Waters ZQ single quadrupole mass spectrometer.

QuanOptimise is a feature of the MassLynx software family designed to automate MRM (multiple reaction monitoring) (or SIR : selected ion recording) parameters and acquisition method set-up for unattended amulti-compound' quantitative LC-MS-MS (or LC-MS) analyses. This seamlessly automated tool comprises four distinct processes: MS-MS optimisation; construction of acquisition method and data acquisition; construction of quantification method and quantification; and data reporting.

The required process is selected from options displayed in a logical sequence of dialogue boxes presented in a familiar Microsoft Windows XP or NT/2000 environment, and initiated using a wizard interface.

QuanOptimise has two main functions. Firstly, as a high throughput tool designed to automate method development for batch processing of quantitative bioassays. High throughput analyses accelerate the discovery and development of new drugs. With their flexibility, sensitivity and selectivity, mass spectrometry (MS) detectors are ideal for these applications. In such analyses, MS is typically employed in combination with HPLC. Secondly, when used through Open Access Quan (a feature of OpenLynx Application-Manager), QuanOptimise creates an automated walk-up LC-MS-MS system for non-experts to produce quantitative data with ease. Results can then be displayed and reviewed as normal through the interactive QuanLynx browser.

The Open Access Manager allows the system administrator to specifically tailor the walk-up process to the analytical requirements of the laboratory. Users simply log in, submit their sample information and select from a choice of existing LC-MS-MS methods or select the QuanOptimise option for automated development of a new method. The Open Access interface tells the user where to place their sample within the autosampler and confirms submission. The analysis is scheduled for automated acquisition and the subsequent results are emailed to the submitting scientist ­ so no need for MassLynx.

To function, the QuanOptimise process requires the submission of two sample lists ­ the first for instrument optimisation, containing standard solutions of the compound to be analysed; the second being the actual sample set for analysis. u

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