Abstract: In various embodiments, provided are ion optics systems comprising an even number of ion mirrors arranged in pairs such that a trajectory of an ion exiting the ion optics system can be provided that intersects a surface substantially parallel to an image focal surface of the ion optics system at a position that is substantially independent of the kinetic energy the ion had on entering the ion optics system. In various embodiments, provided are ion optics systems comprising an even number of ion mirrors arranged in pairs where the first member and second member of each pair are disposed on opposite sides of a first plane such that the first member of the pair has a position that is substantially mirror-symmetric about the first plane relative to the position of the second member of the pair.

Abstract: A mass spectrometer system and a method of operating a mass spectrometer are provided. An RF field is produced between the plurality of rods to radially confine the ions in the rod set. The RF field has a resolving DC component field. The resolving DC component field is varied along at least a portion of a length of the rod set to provide a DC axial force acting on the ions.

Abstract: In various aspects, provided are methods for identification of the presence of modified peptides using at least in part mass spectrometric signals from metastable ions that are formed in the field free region of the analyzer. For example, in various embodiments where the modified peptides are phosphopeptides, such metastable ions can appear approximately 95 u lower than the precursor ion m/z value from which they were formed when the peptide contains a phosphate group. In various embodiments, detection of such metastable ions in a MALDI-TOF mass spectrum can identify the modified peptide. In various aspects, provided are methods for identification of the presence of modified peptides using at least in part MS/MS data from two or more of modified peptides, de-modified peptides and non-modified peptides by comparing the sequence and/or site of modification information for two or more of these three forms of a peptide.

Abstract: The present teachings relate to a method of filtering mass spectrometer data using a variable filter window. The width of the window can depend on the mass itself and the mass defects for a family of compounds. The teachings can be used with a plurality of compounds including but not limited to peptides and can be utilized on a brood range of mass spectrometers.

Abstract: In various aspects, the present teachings provide systems and methods for reducing chemical noise in a mass spectrometry instrument that use a neutral chemical reagent and one or more mass filters to reduce interfering chemical background ion signals that are generated by ionization sources of mass spectrometers. In various embodiments, the neutral chemical reagent belongs to the class of organic chemical species containing a disulfide functionality.

Abstract: Systems and methods for analyzing compounds in a sample. In one embodiment, a mass spectrometer includes an ion source for emitting a plurality of ions from a sample together with a detector positioned downstream of said ion source and configured to detect the impact of emitted ions on the detector. The mass spectrometer also includes a controller operatively coupled to the detector and to the ion source and configured to calculate the m/z for each detected ion. The controller comprises a mass defect filter configured to determine if the m/z for each detected ion falls within a pre-determined mass defect range. The mass spectrometer also includes data storage coupled to the controller, wherein the data storage is configured to store detected ion m/z data corresponding to the m/z for a detected ion if the m/z falls within the mass defect range. The mass spectrometer may also include an ion mass filter positioned downstream of the ion source and operatively coupled to the controller.

Abstract: According to various embodiments, variables are grouped in an unsupervised manner after principal component analysis of a plurality of variables from a plurality of samples. A number of principal components are selected. A subset principal component space is created for those components. A starting variable is selected. A spatial angle is defined around a vector extending from the origin to the starting variable. A set of one or more variables is selected within the spatial angle. The set is assigned to a group. The set is removed from further analysis. The process is repeated starting with the selection of a new starting variable until all groups are found.

Abstract: Systems, methods, and computer program products useful in controlling the fragmentation of ions. Control of fragmentation is achieved by varying the collision energy imparted to precursor ions.

Abstract: In various aspects, the present teachings provide systems and methods for reducing chemical noise in a mass spectrometry instrument that use a neutral chemical reagent and one or more mass filters to reduce interfering chemical background ion signals that are generated by ionization sources of mass spectrometers. In various embodiments, the neutral chemical reagent belongs to the class of organic chemical species containing a disulfide functionality.

Abstract: Disclosed are methods and apparatus for compensating for mass error for a time-of-flight mass spectrometer. A reference flight distance for a pulse of ions corresponding to a reference temperature of one or more components of an ion flight path assembly is determined, and the temperature of one or more components of the ion flight path assembly is measured. Correlating the thermal expansion of the flight path assembly with the temperature measurement allows the measured flight times to be adjusted to correspond with the reference flight distance to thereby compensate for the thermal expansion of the flight path assembly. A mass spectrum is obtained using the adjusted flight times. In various embodiments, the temperature signal is used with pre-determined thermal expansion correction factors for the flight path assembly to calculate a correction factor to control another component of the TOF MS, such as the voltage applied to a power supply system or a signal to control clock frequencies.

Abstract: Disclosed is a method of determining when to calibrate a time-of-flight mass spectrometer. In various embodiments, the method comprises storing within a controller a set of parameters for the mass spectrometer; providing an updated set of parameters while retaining at least one set of previously stored parameters; computing at least one rate of change of the updated set of parameters with respect to the at least one set of previously stored parameters; and determining when to calibrate the mass spectrometer from the results of computing the rate of change of at least one of the parameters. In various embodiments, a parameter stored can be a set of temperatures derived from obtaining system temperature measurements of those components whose changing temperature is an indication of mass drift.

Abstract: A system and method of analyzing a sample is described. The system includes an ion source and a deflector for producing a plurality of ion beams each of which is detected in distinct detection regions. A detection system uses the information obtained from the detection region to analyze the sample.

Abstract: A mass spectrometer system has an elongated rod set having an entrance end, an exit end, a plurality of rods and a central longitudinal axis.

Abstract: An ion guide 24 for a mass spectrometer 30 including means for ejecting ions of different mass-to-charge ratios from the ion guide towards a detector or other object or device. The ejecting means causes the ions to be ejected in a desired sequence. The ions travel at different rates according to their mass-to-charge ratios, so that they arrive at a desired point in space in a desired sequence, for example in a detector 56 of a mass spectrometer at substantially the same time.

Abstract: A first mass spectrum and a second mass spectrum of the same ion sample can be analyzed to determine reaction pairs. These reaction pairs are determined based on a selected neutral difference by shifting the second mass spectrum by the neutral difference relative to the first mass spectrum to provide a shifted mass spectrum. Then, the shifted mass spectrum is compared with the first mass spectrum of the ion sample to determine the reaction pairs based on the neutral difference.

Abstract: In various aspects, the present teaching provide systems for providing sample ions, methods for providing sample ions, and sample support handling mechanisms. The sample support handling mechanisms of the present teachings comprising a sample support transfer mechanism portion and a sample support changing mechanism portion, where the sample support changing mechanism portion is disposed in a vacuum lock chamber. In various embodiments, the sample support handling mechanism facilitates providing consistent positioning of a sample support for subsequent ion generation by MALDI.

Abstract: In various embodiments, provided are methods for focusing ions for an ion fragmentor, and methods for operating an ion optics assembly. In various embodiments, the present teachings provide methods that substantially maintain the position of the focal point of the an incoming ion beam over a wide range of collision energies, and thereby provide a collimated ion beam for a collision cell over a wide range of energies. In various embodiments, the present teachings provide methods that facilitate decreasing ion transmission losses over a wide range of collision energies.

Abstract: A method and apparatus for trapping or guiding ions is provided. The ion trap or ion guide includes a first set of electrodes and a second set of electrodes, the first set of electrodes defining a first portion of an ion channel to trap or guide the introduced ions. In operation, periodic voltages are applied to electrodes in the first set of electrodes to generate a first oscillating electric potential that radially confines the ions in the ion channel, while periodic voltages are applied to electrodes in the second set of electrodes to generate a second oscillating electric potential that axially confines the ions in the ion channel.

Abstract: Disclosed is a method of determining when to calibrate a time-of-flight mass spectrometer. In various embodiments, the method comprises storing within a controller a set of parameters for the mass spectrometer; providing an updated set of parameters while retaining at least one set of previously stored parameters; computing at least one rate of change of the updated set of parameters with respect to the at least one set of previously stored parameters; and determining when to calibrate the mass spectrometer from the results of computing the rate of change of at least one of the parameters. In various embodiments, a parameter stored can be a set of temperatures derived from obtaining system temperature measurements of those components whose changing temperature is an indication of mass drift.

Abstract: A multi-device interface for use in mass spectrometry for interfacing one or more ion sources to one or more downstream devices. The multi-device interface comprises three or more multipole rod sets configured as either an input rod set or an output rod set depending on potentials applied to the multipole rod sets. The multipole rod sets configured as an input rod set are connectable to the one or more ion sources for receiving generated ions therefrom and sending the ions to at least one multipole rod set configured as an output multipole rod set. The output multipole rod sets are connectable to a downstream device for sending the generated ions thereto. At least two of the multipole rod sets are configured as input rod sets or at least two of the multipole rod sets are configured as output rod sets.