Disclosed is a method for analytically measuring sample material deposited on a sample support surface, comprising: (a) defining a plurality of regions on the surface, several of which are in contact with sample material, (b1) sampling sections of sample on a region using a desorbing beam to generate desorbed molecules, which are ionized and transferred to an analyzer, (b2) in so doing, sweeping the region by changing an orientation setting of the beam relative to the surface along a non-rectilinear trajectory on the region selected from a plurality of predefined, non-rectilinear trajectories while keeping the support in one position, (c) transitioning from a swept region to a region to be swept next using spatial adjustment of the support, and (d) repeating steps (b1), (b2), and (c) until a predetermined termination condition is fulfilled. A system for analyzing ions, having an ion generation device and a control unit is also disclosed.

A method of introducing and ejecting ions from an ion entry/exit device (4) is disclosed. The ion entry/exit device (4) has at least two arrays of electrodes (20,22). The device is operated in a first mode wherein DC potentials are successively applied to successive electrodes of at least one of the electrode arrays ((20,22) in a first direction such that a potential barrier moves along the at least one array in the first direction and drives ions into and/or out of the device in the first direction. The device is also operated in a second mode, wherein DC potentials are successively applied to successive electrodes of at least one of the electrode arrays (20,22) in a second, different direction such that a potential barrier moves along the array in the second direction and drives ions into and/or out of the device in the second direction. The device provides a single, relatively simple device for manipulating ions in multiple directions. For example, the device may be used to load ions into or eject ions from an ion mobility separator in a first direction, and may then be used to cause ions to move through the ion mobility separator in the second direction so as to cause the ions to separate.

To improve the reliability of mutual diagnosis in a cancer determination by machine learning, m/z values of ions originating from tumor markers or similar substances used in other related tests are stored in a particular m/z-value database. A spectrum information filtering section deletes signal intensities at the m/z values stored in the particular m/z-value database from a large number of mass spectra classified by the presence or absence of cancer. Using the data which remain after the deletion as training data, a training processor obtains training-result information and stores it in a training result database. A judgment processor similarly deletes signal intensities at the predetermined m/z values from mass spectrum data obtained for a target sample to be judged. Then, based on the training-result information stored in the training-result database, the judgment processor determines whether the target sample should be classified into a cancerous group or non-cancerous group.

To improve the reliability of mutual diagnosis in a cancer determination by machine learning, m/z values of ions originating from tumor markers or similar substances used in other related tests are stored in a particular m/z-value database. A spectrum information filtering section deletes signal intensities at the m/z values stored in the particular m/z-value database from a large number of mass spectra classified by the presence or absence of cancer. Using the data which remain after the deletion as training data, a training processor obtains training-result information and stores it in a training result database. A judgment processor similarly deletes signal intensities at the predetermined m/z values from mass spectrum data obtained for a target sample to be judged. Then, based on the training-result information stored in the training-result database, the judgment processor determines whether the target sample should be classified into a cancerous group or non-cancerous group.

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.

Adjusting compensation voltage (CV) parameters of an ion mobility device is described. In one instance, the CV parameters are adjusted to reflect a different CV range, a number of CV steps, or a CV step size to increase throughput of a mass spectrometer.

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.

Exemplary embodiments relate to the calibration of mass spectrometry data, and may be especially useful for calibrating collision cross sectional data. These techniques apply assisted (rather than automated) calibration techniques. Context-sensitive user interfaces are presented that allow a user to review matches made by a calibration algorithm, and to override prior selections to improve the fit of a model used to make a calibrating adjustment. The calibrating adjustment can then be applied to past or future data coming from the device in order to normalize it and allow it to be compared to other data.

Exemplary embodiments relate to the calibration of mass spectrometry data, and may be especially useful for calibrating collision cross sectional data. These techniques apply assisted (rather than automated) calibration techniques. Context-sensitive user interfaces are presented that allow a user to review matches made by a calibration algorithm, and to override prior selections to improve the fit of a model used to make a calibrating adjustment. The calibrating adjustment can then be applied to past or future data coming from the device in order to normalize it and allow it to be compared to other data.

The present invention is a method for detecting a specific disease based on the result of a measurement in which the amount of a peptide serving as a biomarker contained in a biological sample is determined by using an LC-MS. A pretreatment process performed before the measurement using the LC-MS includes the steps of preparing a mixed sample solution by adding a stable isotope reagent and a trifluoroacetic acid to the biological sample, where the stable isotope reagent is prepared beforehand by labeling the peptide with a stable isotope; boiling the mixed sample solution; injecting the mixed sample solution after boiled into a solid-phase extraction column to make the peptide be retained in the solid-phase extraction column; and passing a water-soluble organic solvent through the solid-phase extraction column to elute the peptide retained in the solid-phase extraction column and collect the eluate.