A system for determining isotopic composition of a gaseous sample. The system includes at least one gas chromatograph for separating the gaseous sample into gaseous components. Furthermore, the system includes a combustion furnace operatively coupled with the at least one gas chromatograph for oxidizing the gaseous components. Moreover, the system includes a water separator operatively coupled with the combustion furnace. Furthermore, the system includes an isotope-ratio mass spectrometer operatively coupled with the water separator. Moreover, the isotope-ratio mass spectrometer comprises an ion source for generating ion beams associated with each of the oxidized gaseous components and a mass analyser for receiving the generated ion beams from the ion source, wherein the mass analyser is operable to determine isotopic concentrations associated with each of the ion beams. Furthermore, the isotope-ratio mass spectrometer is operable to use the determined isotopic concentrations to determine the isotopic composition of the gaseous sample.

A method and an apparatus for determining a concentration of a target analyte in a sample of bodily fluid are disclosed. The method involves providing a sample of bodily fluid including the target analyte, providing an internal standard solution including a mixture of components having a plurality of isotopes of the target analyte, wherein a concentration of each isotope is unknown, adding the internal standard solution to the sample, analyzing the sample including the internal standard solution using a mass spectrometer, creating a sample function curve based on signal intensities, wherein the signal intensities define arbitrary units, transferring an analyte signal into a corresponding arbitrary analyte unit by means of the sample function curve, and transferring the arbitrary analyte unit into the concentration of a target analyte by means of a standardization function representing a curve of concentrations depending on the arbitrary units.

A method and an apparatus for determining a concentration of a target analyte in a sample of bodily fluid are disclosed. The method involves providing a sample of bodily fluid including the target analyte, providing an internal standard solution including a mixture of components having a plurality of isotopes of the target analyte, wherein a concentration of each isotope is unknown, adding the internal standard solution to the sample, analyzing the sample including the internal standard solution using a mass spectrometer, creating a sample function curve based on signal intensities, wherein the signal intensities define arbitrary units, transferring an analyte signal into a corresponding arbitrary analyte unit by means of the sample function curve, and transferring the arbitrary analyte unit into the concentration of a target analyte by means of a standardization function representing a curve of concentrations depending on the arbitrary units.

Provided is a mass spectrometer including: a prediction equation storage section 34 configured to store a plurality of prediction equations which respectively correspond to different kinds of isotopic ions originating from a compound, each prediction equation expressing a relationship between m/z of a monoisotopic ion of the compound and a ratio between the signal intensity at the monoisotopic ion of the compound and the signal intensity of an isotopic ion in a mass spectrum; a measurement section 1 configured to perform chromatograph mass spectrometry on a sample to collect data; a predicted mass spectrum creation section 33 configured to calculate a predicted value of the signal intensity ratio related to each isotopic ion, by applying, in the prediction equations, m/z information corresponding to a peak observed on a measured mass spectrum and information of a given charge state of the ion, and to create a predicted mass spectrum based on the predicted values; and a mass spectrum evaluation section 33 configured to evaluate the possibility that a plurality of peaks in the measured mass spectrum are peaks originating from one compound, by comparing the predicted mass spectrum and the measured mass spectrum.

Provided is a mass spectrometer including: a prediction equation storage section 34 configured to store a plurality of prediction equations which respectively correspond to different kinds of isotopic ions originating from a compound, each prediction equation expressing a relationship between m/z of a monoisotopic ion of the compound and a ratio between the signal intensity at the monoisotopic ion of the compound and the signal intensity of an isotopic ion in a mass spectrum; a measurement section 1 configured to perform chromatograph mass spectrometry on a sample to collect data; a predicted mass spectrum creation section 33 configured to calculate a predicted value of the signal intensity ratio related to each isotopic ion, by applying, in the prediction equations, m/z information corresponding to a peak observed on a measured mass spectrum and information of a given charge state of the ion, and to create a predicted mass spectrum based on the predicted values; and a mass spectrum evaluation section 33 configured to evaluate the possibility that a plurality of peaks in the measured mass spectrum are peaks originating from one compound, by comparing the predicted mass spectrum and the measured mass spectrum.

An accelerator mass spectrometry measuring system is disclosed, including: an ECR high-current positive ion source subsystem; an injector subsystem; a high-current accelerator subsystem; a high-energy analysis subsystem; and a high-resolution detector subsystem; of which, the ECR high-current positive ion source subsystem, the injector subsystem, the high-current accelerator subsystem, high-energy analysis subsystem and a high-resolution detector subsystem are connected sequentially; the ECR high-current positive ion source subsystem is configured for generating high-current positive ions of multi-charge states; the high-current accelerator subsystem is configured for accelerating the high-current positive ions. The AMS system is high in beam, high in overall efficiency, and strong in how-down capability, and can greatly improve the abundance sensitivity of measurement.

The invention relates to a method for the determination and visualization of the spatial distribution of tissue states of a tissue sample, wherein a mass/mobility map is acquired at each of a plurality of sample sites of the tissue sample, the signal heights at each sample site are determined at characteristic signal positions in the corresponding mass/mobility map, from which a tissue state for each sample site is calculated with the aid of a mathematical/statistical classification algorithm, and the spatial distribution of the tissue states calculated for the sample sites is represented graphically.

The invention relates to a method for the determination and visualization of the spatial distribution of tissue states of a tissue sample, wherein a mass/mobility map is acquired at each of a plurality of sample sites of the tissue sample, the signal heights at each sample site are determined at characteristic signal positions in the corresponding mass/mobility map, from which a tissue state for each sample site is calculated with the aid of a mathematical/statistical classification algorithm, and the spatial distribution of the tissue states calculated for the sample sites is represented graphically.

Provided is a mass spectrometer including: a prediction equation storage section 34 configured to store a plurality of prediction equations which respectively correspond to different kinds of isotopic ions originating from a compound, each prediction equation expressing a relationship between m/z of a monoisotopic ion of the compound and a ratio between the signal intensity at the monoisotopic ion of the compound and the signal intensity of an isotopic ion in a mass spectrum; a measurement section 1 configured to perform chromatograph mass spectrometry on a sample to collect data; a predicted mass spectrum creation section 33 configured to calculate a predicted value of the signal intensity ratio related to each isotopic ion, by applying, in the prediction equations, m/z information corresponding to a peak observed on a measured mass spectrum and information of a given charge state of the ion, and to create a predicted mass spectrum based on the predicted values; and a mass spectrum evaluation section 33 configured to evaluate the possibility that a plurality of peaks in the measured mass spectrum are peaks originating from one compound, by comparing the predicted mass spectrum and the measured mass spectrum.

A method for analyzing data from a mass spectrometer comprising acquiring raw profile mode data containing one or more ions and their isotopes in a mass spectral range; calculating theoretical isotope distributions for all ions of interest including native or labeled ions based on their molecular composition; convoluting the theoretical isotope distributions with target peak shape function specified during instrument calibration, actual peak shape functions, or approximated peak shape functions, to obtain theoretical isotope profiles for all ions; constructing a peak component matrix of relevant theoretical isotope profiles included as peak components; performing a weighted multiple linear regression between the profile mode data and the peak component matrix; and reporting regression coefficients as relative concentrations for each of the ions, or ranking these ions based on fitting statistics as search results. A mass spectrometer system (FIG. 1) operating in accordance with the method. Medium having computer code for operating the spectrometer.