A method of analysis using mass and/or ion mobility spectrometry or ion mobility spectrometry is disclosed comprising: using a first device to generate aerosol, smoke or vapour from one or more regions of a first target of biological material; and mass and/or ion mobility analysing and/or ion mobility analysing said aerosol, smoke, or vapour, or ions derived therefrom so as to obtain first spectrometric data. The method may use an ambient ionisation method.

The efficiency and accuracy of search for a compound exhibiting a distribution similar to that of a reference image such as an optical microscope image are improved in imaging mass spectrometric analysis. In an imaging mass spectrometer including a data processing device according to the present invention, a regression analysis executor (16) executes PLS using mass spectrum data and reference image data for each measurement point and calculates a regression coefficient reflecting the similarity of the distribution for each m/z value. An m/z value search section (17) selects m/z values in descending order of regression coefficients, but in each search m/z range obtained by dividing the entire measurement m/z range for each predetermined width, excludes a search m/z range including one m/z value already selected from the search target. Since the peak originating from a certain compound and its isotope peak fall within almost one search m/z range on the mass spectrum, the process described above can avoid selection of the m/z value of ions originating from a certain compound and the m/z value of ions originating from its isotope in duplicate as an m/z candidate.

An image creator (33) creates an optical image and a mass spectrometric (MS) image for each m/z for a measurement area on the same sample, and an image alignment processor (34) equalizes resolutions and aligns the images. A regression analysis executer (35) performs partial least squares regression (PLS) to create a regression model, using a matrix based on the MS imaging data as an explanatory variable and a matrix, which has a luminance value for each pixel as an element and has been created from the optical image, as an explained variable. An image creator (33) applies the explanatory variable, that is, a signal intensity value for each mass-to-charge ratio value in each pixel of the MS imaging data, to the regression model to create an estimation image. A display processor (39) displays a reference image and the estimation image on a screen of a display unit (5). Thus, an operator can confirm the degree of similarity in distribution between the MS image and the optical image. Consequently, the accuracy of the created regression model can be evaluated.

A user enters structures of a plurality of metabolite candidates contained in a sample. A dissociation pattern predictor predicts a dissociation pattern for each metabolite candidate. An MS/MS spectrum estimator estimates an MS/MS spectrum and stores it in a teaching data storage. An imaging mass spectrometry unit acquires measured MS/MS spectra for each measurement point within a measurement range on a sample by performing an MS/MS analysis in which a precursor ion based on mass information of each metabolite candidate is used as an analysis target. A multivariate analysis processor performs a multivariate analysis in which the peak information based on the MS/MS spectra stored in the teaching data storage is used as teaching data, to classify measured MS/MS spectra at each measurement point into a plurality of metabolite candidates. Based on the classification result, a spatial distribution creator creates an image showing a spatial distribution for each metabolite candidate.

A reference image data input section reads, from a Raman spectroscopic analyzer, a set of data constituting a Raman spectroscopic imaging graphic for a target sample. An ROI specification processor) displays a Raman spectroscopic imaging graphic based on those data on a display unit. An operator viewing the image operates an input unit to set a plurality of ROIs. Then, the ROI specification processor determines position information of the ROIs. An analysis processor extracts the data of measurement points corresponding to the set ROIs from MS imaging data acquired by an analysis performed by an imaging mass spectrometry unit for the same target sample. The processor also calculates an average mass spectrum from the data of a large number of measurement points for each ROI, and performs a multivariate analysis on the plurality of average mass spectrum data to compare the ROIs with each other or divide them into groups.

A data processing device configured to create, based on a plurality of spectra each obtained from each of a plurality of specimens containing a predetermined component at known concentrations different from one another, a calibration curve showing a relationship between a concentration of the component in the specimen and an area of a peak corresponding to the component of a spectrum of the specimen, where each of the plurality of spectra has a peak top at a position depending on a component contained in a specimen. The device includes a display unit and a peak range setting unit configured to allow an operator to set both end positions of a peak or a position of a baseline corresponding to the component included in the displayed spectrum.

A method of analysis using mass spectrometry and/or ion mobility spectrometry is disclosed. The method comprises: using a first device to generate smoke, aerosol or vapour from a target comprising or consisting of a microbial population; mass analysing and/or ion mobility analysing said smoke, aerosol or vapour, or ions derived therefrom, in order to obtain spectrometric data; and analysing said spectrometric data in order to analyse said microbial population.

Various embodiments are described herein for a system and a method for obtaining samples of tissue for analysis by mass spectrometry. A region of interest can be identified in tissue using image data from a first imaging modality that is other than mass spectrometry. At least one tissue sample can be acquired using a tissue sampler from a sampling location related to the region of interest. Mass spectrum data can be generated for the acquired tissue samples using a mass spectrometer. In some embodiments, polarimetry may be used on a tissue slice, mass spectrometry may be performed on the same tissue slice and then H&E imaging may be performed on the same tissue slice.

A method of mass spectrometry or ion mobility spectrometry is disclosed comprising: providing an analyte; supplying a matrix compound to said analyte such that said analyte dissolves in said matrix; forming first droplets of the dissolved analyte; and colliding said first droplets with a collision surface. The use of matrix improves the analyte ion signal.

Disclosed embodiments include a time-of-flight mass spectrometer with a straight ion optical axis comprising: an ion gate is electrically insolated electrode on which applied voltages to reject/pass ions through ion gate, entrance module and exit module set in focus/mirror modes, and create ion optical image on image plane located in field view aperture, electrostatic object lens, entrance module in focus mode and, transport electrostatic lens, exit module in focus mode and projection lens focused and map ions from image plane of field view aperture to image plane of ion detector, projection lens configured to form ion optical image of sample holder on image plane of ion detector and ion optical components with corrected geometrical, chromatic and timed aberrations configured to compensate time arriving disturbance in image plane of ion detector and improve mass and spatial resolution of image on image plane of ion detector.