The present disclosure relates to a process for facilitating the identification of target chemicals which may be detected by means of an ion mobility spectrometer and a system for implementing the same. In an aspect of the disclosure, there is provided a process for determining the ratio of CI″ to CI″.OOH reactant ion species formed in a pentachloroethane doped ion mobility spectrometer operating in negative mode, said process comprising: i) introducing a sample comprising or consisting essentially of isoflurane into a pentachloroethane doped ion mobility spectrometer; ii) collecting data relevant to the detection of two isoflurane monomer ions formed following reaction with CI″ and CI″.OOH reactant ion species present in the pentachloroethane doped ion mobility spectrometer; and iii) determining the ratio of CI″ to CI″.OOH reactant ion species formed in the pentachloroethane doped ion mobility spectrometer based on an evaluation of the data collected.

A sample support according to an aspect is a sample support for a surface-assisted laser desorption/ionization method, and includes: a substrate in which a plurality of through-holes passing from one surface thereof to the other surface thereof are provided; and a conductive layer that is formed of a conductive material and covers at least the one surface. The through-holes have a width of 1 to 700 nm, and the substrate has a thickness of 1 to 50 μm.

Provided is a method for analyzing a sample containing a sialic-acid-containing glycan including a sialic-acid-linkage specific modification, based on mass spectrum data of the sample, including steps of: detecting, from the mass spectrum data, a representative peak for each isotope peak cluster; detecting, from the representative peaks, an isomer peak cluster including multiple ion peaks estimated to be identical in the number of sialic acids and the glycan composition exclusive of the sialic acids; estimating a glycan composition for each representative peak according to predetermined glycan search conditions; creating a mass spectrum with an annotation added for each isomer peak cluster to indicate a correspondence between each peak in one cluster and a peak in a mass spectrum, and displaying the annotated mass spectrum on a display section; and creating a table relating each estimated glycan-composition candidate to an isomer peak cluster, and displaying the table on the display section.

Provided is a method for analyzing a sample containing a sialic-acid-containing glycan including a sialic-acid-linkage specific modification, based on mass spectrum data of the sample, including steps of: detecting, from the mass spectrum data, a representative peak for each isotope peak cluster; detecting, from the representative peaks, an isomer peak cluster including multiple ion peaks estimated to be identical in the number of sialic acids and the glycan composition exclusive of the sialic acids; estimating a glycan composition for each representative peak according to predetermined glycan search conditions; creating a mass spectrum with an annotation added for each isomer peak cluster to indicate a correspondence between each peak in one cluster and a peak in a mass spectrum, and displaying the annotated mass spectrum on a display section; and creating a table relating each estimated glycan-composition candidate to an isomer peak cluster, and displaying the table on the display section.

A system and method comprising an ion production chamber having an ultra-violet light source disposed towards said chamber, a coated quartz plate between the chamber and the UV source whose coating absorbs incident UV light and ejects electrons into the chamber through the photoelectric effect, a harvest gas disposed to flow through the chamber from an inlet to an outlet, and a jet operable to introduce a sample into the harvest gas flow. In some embodiments the system includes using helium as the harvest gas. Certain embodiments include introducing a sample perpendicular to the harvest gas flow and using multiple sample introduction jets to increase mixing efficiency. In some embodiments the harvest gas and particle sample jet are one and the same. The charge sample may be coupled to a MEMS-based electrometer.

An analysis data processing method for processing analysis data collected with an analyzing device for each of a plurality of samples, by applying an analytical technique using statistical machine learning to multidimensional analysis data formed by output values obtained from a plurality of channels of a multichannel detector provided in the analyzing device, the method including: acquiring a non-linear regression or non-linear discrimination function expressing analysis data obtained for known samples; calculating a contribution value of each of the output values obtained from the plurality of channels forming the analysis data of the known samples, to the acquired non-linear regression or non-linear discrimination function, based on a differential value of the non-linear regression function or non-linear discrimination function; and identifying one or more of the plurality of channels of the detector, which are to be used for processing analysis data obtained for an unknown sample, based on the contribution value.

An analysis data processing method for processing analysis data collected with an analyzing device for each of a plurality of samples, by applying an analytical technique using statistical machine learning to multidimensional analysis data formed by output values obtained from a plurality of channels of a multichannel detector provided in the analyzing device, the method including: acquiring a non-linear regression or non-linear discrimination function expressing analysis data obtained for known samples; calculating a contribution value of each of the output values obtained from the plurality of channels forming the analysis data of the known samples, to the acquired non-linear regression or non-linear discrimination function, based on a differential value of the non-linear regression function or non-linear discrimination function; and identifying one or more of the plurality of channels of the detector, which are to be used for processing analysis data obtained for an unknown sample, based on the contribution value.

A molecular detection apparatus according to an embodiment includes: a distributor which ionizes a target containing substances to be detected, applies voltage to ionized substances, and extracts the substances to be detected according to a time-of-flight based on the speed; a detector which detects the substance to be detected dropped from the distributor; and a discriminator which discriminates the substance to be detected. The detector includes: a plurality of detection units including field effect transistors using graphene layers; and a plurality of organic probes which are provided on the graphene layers, and at least some of which have different bond strengths with the substances to be detected. The substance to be detected is discriminated depending on a signal pattern based on intensity differences of the detection signals generated by differences in the bond strengths between the organic probes and the substances to be detected.

The invention is related to a trapped ion mobility spectrometer (TIMS device) and proposes to use higher order (order N>2) linear multipole RF systems to accumulate and analyze ions at an electric DC field barrier, either pure higher order RF multipole systems or multipole RF systems with transitions from higher order towards lower order, e.g. from a linear octopolar RF system (N=4) to a linear quadrupole RF system (N=2) in front of the apex of the electric DC field barrier.

The invention relates to methods for the detailed analysis of ion mixtures from complex mixtures of organic substances in time-of-flight mass spectrometers which are equipped with a trapped ion mobility spectrometer, a quadrupole mass selector and a fragmentation cell. The invention proposes to analyze ion signals of a first mass mobility map, fragment ion spectra and the identifications of the associated substances as to whether ion mixtures not resolved according to mass and mobility, for example from isomers or isobars, are possibly present, and to subsequently measure the ion signals of interest with method parameters which allow the ion species to be measured separately by means of high mobility resolution.