A precursor ion selection processing unit (22) sequentially selects precursor ions having different mass-to-charge ratios, and causes an MS/MS spectrum data acquisition processing unit (23) to acquire MS/MS spectrum data corresponding to each precursor ion. The precursor ion selection processing unit (22) sequentially selects the precursor ion having a mass-to-charge ratio which is not included in a predetermined range with respect to a mass-to-charge ratio of the precursor ion for which the MS/MS spectrum data has already been acquired.

A method of mass spectrometry is disclosed comprising: a step (10) of analysing a reference compound in a first mass spectrometer and outputting mass spectral data in response thereto; a step (20) of analysing the reference compound in a second, different mass spectrometer and outputting mass spectral data in response thereto; and a step (30) of automatically adjusting an operational parameter, duty cycle (e.g. duty cycle of data acquisition), or acquired spectral data of at least one mass spectrometer such that, for the same (given) consumption of reference compound by the spectrometer, the statistical precision of quantification (the number of detected ions) and/or of mass measurement (the mass resolution) by the mass spectrometer is substantially the same as that of the other mass spectrometer. A similar method of ion mobility spectrometry is disclosed.

Real-time search (RTS) for mass spectrometry is described. In one instance, precursor ions generated from a sample are introduced into a mass spectrometer during an introduction period. The precursor ions are fragmented to form product ions, and a mass spectrum is acquired. During the introduction period, scores indicating the similarity between the mass spectrum and a candidate mass spectrum are identified. Based on the distribution of the scores, an action is performed.

A method of spectrometric analysis comprises obtaining one or more sample spectra for an aerosol, smoke or vapour sample. The one or more sample spectra are subjected to pre-processing and then multivariate and/or library based analysis so as to classify the aerosol, smoke or vapour sample. The results of the analysis are used for various surgical or non-surgical applications.

In a quantitative determination device 10 for brominated flame-retardant compounds, a storage section 41 holds a relative response factor 411 representing a relationship of a measured intensity of a compared compound to that of a reference compound selected from target compounds. A standard-sample measurer 43 acquires the intensity of the reference compound by measuring a standard sample, using an analyzer 10, 20. A target-sample measurer 45 acquires the intensities of the reference and compared compounds by measuring a target sample, using the analyzer. A reference-compound quantity determiner 46 determines a quantitative value of the reference compound in the target sample. A compared-compound quantity determiner 47 determines a quantitative value of the compared compound based on the quantity of the reference compound in the standard sample, intensity of the reference compound acquired by the standard-sample measurer, intensity of the compared compound acquired by the target-sample measurer, and relative response factor of the compared compound.

A start-up routine for a mass spectrometer is performed automatically upon switching ON the mass spectrometer. The mass spectrometer comprises a plurality of functional modules connected thereto, each module operable to perform a predetermined function of the mass spectrometer in use. The start-up routine comprises detecting which functional modules are present in the set of a plurality of functional modules connected to the mass spectrometer, and performing one or more steps of the start-up routine based upon the results of the detection. The mass spectrometer automatically determines whether configuration information is stored locally in respect of each one of the detected functional modules, and, for the or each one of the detected functional modules for which such information is found to be stored locally, automatically uses the information in configuring the mass spectrometer, and, for any detected functional module(s) for which such information is not found to be stored locally, automatically obtains configuration information for the detected functional module(s) from a remote server, and uses the information in configuring the mass spectrometer.

An automated system for lipid exchange-mass spectrometry, e.g., measuring affinity of a membrane protein for lipids. The automated systems herein can measure the specificity of membrane protein-lipid interactions, detect remodeling of the membrane environment, and determine optimal lipid composition for membrane proteins.

The present disclosure includes a mass spectrometry apparatus for analyzing an analyte sample, which comprises: an ion source from which a quantity of analyte ions from the analyte sample may be sourced for providing an ion beam; a mass analyzer serving to filter the analyte ions of the ion beam based on their mass-to-charge ratio; a first detector unit for analyzing the ions of the ion beam; and a second detector unit being based on the time-of-flight principle and comprising a second detector for analyzing the ions of the ion beam. The present disclosure further includes a method for analyzing an analyte sample using a mass spectrometry apparatus according to the present disclosure.

An isotope ratio spectrometer is operated for measurement of a sample. First isotope ratios and first signal intensities are measured for a reference in the spectrometer, over a first measurement time period. A first relationship comprising a relationship between the first isotope ratios and the first signal intensities is determined. Sample isotope ratios and sample signal intensities are measured in the spectrometer, over a second measurement time period subsequent to the first measurement time period. Second isotope ratios and second signal intensities for a reference are measured in the spectrometer, over a third measurement time period subsequent to the second measurement time period. A second relationship comprising a relationship between the second isotope ratios and the second signal intensities is determined. A reference isotope ratio is estimated for a time X within the second measurement time period, based on the first relationship and the second relationship.

A method includes obtaining a first mass spectrum; selecting a first peak of the first mass spectrum; fragmenting and analyzing ions of the first peak to obtain a second mass spectrum; performing a real-time spectral search for compounds corresponding to peaks in the second mass spectrum; identifying fragments for the compounds identified based on the real-time spectral search; adding mass-to-charge ratios for the fragments to an exclusion list; selecting a second peak present in the first mass spectrum and not on the exclusion list; and fragmenting and analyzing ions of the second peak to obtain a third mass spectrum.