In one aspect, a method of calibrating a Fourier Transform (FT) multipole mass spectrometer is disclosed, which comprises measuring a plurality of secular frequencies of a calibrant ion in a multipole FT mass analyzer for a plurality of RF voltages (V.sub.RF) applied to at least one rod of the multipole mass analyzer adjusted q analyzer, calculating Mathieu β and q parameters for each of 5 the measured secular frequencies, and determining RF voltage amplitude (V.sub.RF) for each calculated q parameter. For each calculated q parameter, an offset RF voltage amplitude (ΔV.sub.RF) corresponding to a deviation of the applied V.sub.RF and the calculated V.sub.RF is determined so as to generate a ΔV.sub.RFv.s. q calibration curve.

A method of quantifying a target analyte by mass spectrometry includes obtaining a mass spectrometer signal comprising a first calibrator signal, comprising a second calibrator signal, and potentially comprising a target analyte signal from a single sample comprising a first known quantity of a first calibrator, comprising a second known quantity of a second calibrator, and potentially comprising a target analyte. The first known quantity and the second known quantity are different, and wherein the first calibrator, the second calibrator, and the target analyte are each distinguishable in the single sample by mass spectrometry. The method also includes quantifying the target analyte in the single sample using the first calibrator signal, the second calibrator signal, and the target analyte signal.

In a device adjustment process, when a solenoid valve is opened, a gas resulting from vaporization of PFTBA held in a container is drawn into an ion source, a relationship between ambient temperature and a correction coefficient for actual signal values is experimentally determined beforehand. In an actual adjustment process, an ambient temperature acquirer reads the ambient temperature and refers to the correction information to determine the correction coefficient corresponding to the ambient temperature at that moment. A signal value corrector multiplies an actually measured peak area value by the correction coefficient to correct the actual signal value. A device adjustment controller adjusts a voltage applied to an ion detector so that the corrected actual signal value matches with a reference signal value. The voltage applied to the ion detector can be thereby adjusted so that the detector has the same level of gain independent of the ambient temperature.

An ADE device identifies an identifiable sequence of one or more ejections from at least one sample using a different value or pattern of values for one or more ADE parameters. The identifiable one or more ejections are performed to produce one or more mass peaks that have a different feature value or pattern of feature values for one or more peak features than other mass peaks produced. Ejection times are stored. One or more detected peaks with the different feature values or pattern of feature values are identified as produced by the identifiable one or more ejections. A delay time is calculated from the time of the identifiable ejections and the time of the identified detected peaks and the peaks are aligned with samples using delay time, stored times, and order of the samples.

The present invention provides a method for analyzing a sample containing metal fine particles with an inductive coupling plasma mass spectrometer. The method enables analysis of the sample without the need of standard metal fine particles. Specifically, the present invention relates to a method for analyzing metal fine particles in liquid by use of an inductive coupling plasma mass spectrometer. In the method, the analysis apparatus is provided with a standard solution introduction apparatus including a standard solution storage unit for storing a standard solution containing a specific element in a known concentration, a syringe pump for suctioning and discharging the standard solution, and a solution introduction unit having a standard solution nebulizer and a standard solution spray chamber that are supplied with the standard solution, the standard solution is directly supplied to the standard solution nebulizer at a flow rate of 3 μL/min or less.

A mass spectrometer support apparatus includes a peak shape logic to determine one or more peak shapes using a calibration mass spectrum and known peak locations; and a tuning logic to adjust instrument parameters to achieve a selected peak width. A method for tuning a quadrupole-based mass spectrometer includes determining one or more peak shapes using a calibration mass spectrum and known peak locations; and adjusting instrument parameters to achieve a selected peak width.

A method comprises measuring a first physico-chemical property of analyte ions so as to produce a data set, and identifying a first group of analyte ions within the data set. Analyte ions within the first group each have a value of an attribute that corresponds to a first value or that is within a first range of the attribute. The method further comprises selecting, from a plurality of different calibrations, a first calibration associated with the first value or first range of the attribute, and calibrating the measured first physico-chemical property of the first group of analyte ions using the first calibration.

The present invention provides reagents for instrumentation quality control and methods of use thereof. In particular, sets of peptides or other molecules are provided for evaluating the performance of instruments with mass spectrometry (MS) and/or liquid chromatography (LC) functionalities.

A method for mass spectral analysis of molecules based on full mass spectral profile or raw scan mode data, comprising the steps of specifying the basic building blocks for the molecule; estimating initial values including trial numbers of building blocks, charge states, and possible modifications; calculating discrete isotope distributions based on elemental compositions; calculating a profile mode theoretical mass spectrum using a target mass spectrum peak shape function; performing regression analysis between acquired profile mode mass spectrum data and calculated theoretical mass spectrum data and reporting regression statistics; using regression statistics as feedbacks to update initially estimated values including trial numbers of building blocks, charge states, and possible modifications; and repeating selected step to optimize the regression statistics. A mass spectrometer operating in accordance with the method. A medium having computer readable program instructions for causing a mass spectrometer associated with a computer to operate in accordance with the method.

A method for determining in a sample, by mass spectrometry, the amount of one or more analytes selected from the group consisting of 12,13-DiHOME, 3-hydroxybutyrate (BHBA), 3-hydroxyoctanoate, 3-methylglutarylcarnitine, 3-ureidopropionate, 7-alpha-hydroxy-4-cholesten-3-one (7-Hoca), citrate, fucose, fumarate, gamma-tocopherol, glutamate, glutarate, glycerol, glycochenodeoxycholate, glycocholate, hypoxanthine, maleate, malonate, mannose, orotate, 2,3-pyrdinedicarboxylate, ribose, serine, taurine, taurochenodeoxycholate, taurocholate, palmitoleate, linolenate, xanthine, xylitol, and combinations thereof is described. The method comprises subjecting the sample to an ionization source under conditions suitable to produce one or more ions detectable by mass spectrometry from each of the one or more analytes; measuring, by mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and using the measured amount to determine the amount of each of the one or more analytes in the sample.