Abstract: A method for matching a precursor ion with one or more related product ions includes providing input data sets obtained from sample injections, each of the data sets including a precursor ion and one or more product ions, normalizing the input data sets in accordance with a single retention time for the precursor ion, determining which product ions are within a predetermined retention time window with respect to the single retention time, and, if a product ion is within the predetermined retention time window for a specified number of the input data sets, determining that the product ion is related to the precursor having the single retention time. An apparatus for analyzing a sample includes a chromatography module, a mass-spectrometry module in communication with the chromatography module, and control unit in communication with the chromatography module and the mass-spectrometry module.

Abstract: LC/MS data generated by an LC/MS system is analyzed to determine groupings of ions associated with originating molecules. Ions are grouped initially according to retention time, for example, using retention time or chromatographic peaks in mass chromatograms. After initial groupings are determined based on retention time, ion peak shapes are compared to determine whether ions should be excluded. Ions having peak shapes not matching other ions, or alternatively a reference peak shape, are excluded from the group.

Abstract: A method (100) for analyzing chemicals includes fractionating a complex sample into at least two sample portions that each includes potions of two polypeptides though in different concentration ratios, digesting and performing LC/MS on each of the sample portions (110, and associating precursor ions observed via LC/MS with their corresponding polypeptide in response to LC/MS provided intensity data (170). A set of precursor ions that has substantially similar intensity ratios in both sample portions is determined to be associated with the same polypeptide.

Abstract: Methods and apparatus for LC/IMS/MS analysis involve obtaining noisy raw data from a sample, convolving the data with an artifact-reducing filter, and locating, in retention-time, ion mobility, and mass-to-charge-ratio dimensions, one or more ion peaks of the convolved data.

Abstract: Embodiments of the present invention feature a method and apparatus for an energetics-based approach to screen and to characterize binding interactions between potential therapeutic (or diagnostic) agents and unknown target molecules. The methods and apparatus detect the occurrence of these reactions, the strength of the binding interaction and possibly the rate at which these processes take place.

Abstract: Automated installation processing of a mass spectrometer is described. Software is executed providing a user interface for controlling the installation process. Manual setup operations in connection with physical installation of the mass spectrometer are performed. Instrument level testing of the mass spectrometer is performed. The instrument level testing includes automating execution of a first test sequence in response to a first user interface selection. The first test sequence includes one or more performance tests whereby mass spectral data characterizing observed performance of the mass spectrometer is compared to predetermined performance criteria. System level testing of functionality of the mass spectrometer in combination with one or more other components is performed upon successful completion of said instrument level testing. The system level testing includes automating execution of a second test sequence in response to a second user interface selection.

Abstract: A method for making a liquid-chromatography apparatus includes inserting two inner conduits into an intermediate tube, inserting the intermediate tube into an outer tube, forming a proximal seal between the intermediate tube and at least one of the inner conduits, and forming a distal seal between the intermediate tube and at least one of the inner conduits. A liquid-chromatography apparatus includes an outer tube, an intermediate tube disposed in the outer tube, two inner conduits disposed in the intermediate tube, a proximal seal between the intermediate tube and at least one of the inner conduits, and a distal seal between the intermediate tube and at least one of the inner conduits.

Abstract: Described is a mobile phase solvent delivery module for liquid chromatography and supercritical fluid chromatography systems. The module includes a pump disposed in a fluid path that conducts a mobile phase solvent. The pump provides the mobile phase solvent at an increased pressure. The module also includes a purification cartridge disposed in the fluid path either before or after the pump. The purification cartridge has an inlet to receive the mobile phase solvent and an outlet to provide a purified mobile phase solvent, and includes a packing material for removing an impurity from the mobile phase solvent. In various embodiments, the module also includes one or more additional components to allow various techniques for regeneration or replacement of spent purification cartridges. For example, the module may also include one or more of a temperature control module, a fluidic switch and one or more additional purification cartridges.

Abstract: The invention provides methods for quantitatively analyzing a plurality of analytes in a sample. Also described are general and specific internal standards useful in such analysis. In particular embodiments, these standards are described as useful in liquid chromatography/mass spectroscopy systems, which are also described herein. Moreover, in certain embodiments, the quantification methods of the present invention are useful in increasing the precision and/or accuracy of multiple analyte quantification for analytes contained in a single sample mixture using known analyte derivatives simultaneously analyzed, and compared to the unknown analytes.

Abstract: Embodiments of the present invention feature devices and methods for holding fluids at high pressures. One embodiment of the present invention features a fluid containing conveying device for receiving and discharging fluids. The device comprises a housing having a chamber for containing a fluid. The housing has a first gasket receiving surface for receiving a gasket. A gasket formed of a deformable material and having a first abutment surface and second abutment surface. The first abutment surface received on the first gasket receiving surface and the second abutment surface for receiving a chamber closing piece. The chamber closing piece having a second gasket receiving surface, the chamber closing piece for closing the chamber. At least one of the first gasket receiving surface of the housing and the second gasket receiving surface of the chamber closing piece having a retaining grove, having at least one edge.