# US 2021/0242004 A1 · Imaging mass spectrometry data processing device

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- Number: US 2021/0242004 A1
- Document ID: US20210242004A1
- Status: Published application
- Kind: A1
- Application number: 17/053,970
- Filed: 2018-05-30
- Published: 2021-08-05
- Earliest claimed: 2018-05-30
- Assignees: Shimadzu Corporation
- Applicants: Shimadzu Corporation
- Inventors: Shinichi YAMAGUCHI
- Web page: https://patentgrep.com/patent/US20210242004A1

## CPC

- H01J 49/0004: {Imaging particle spectrometry}
- G01N 30/72: Mass spectrometers {(mass spectrometers per se H01J49/00)}
- G01N 30/8624: {Detection of slopes or peaks; baseline correction}
- G01N 30/8637: {Peak shape}
- G01N 30/8679: {Target compound analysis, i.e. whereby a limited number of peaks is analysed}
- H01J 49/0036: {Step by step routines describing the handling of the data generated during a measurement}
- H01J 49/164: {Laser desorption/ionisation, e.g. matrix-assisted laser desorption/ionisation [MALDI] (sample holders H01J49/0418)}
- H01J 49/40: Time-of-flight spectrometers (H01J49/36 takes precedence)
- H01J: ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS (spark-gaps H01T; electric arc lamps H05B31/00; particle accelerators H05H)
- G01N: INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES (measuring or testing apparatus or processes other than immunoassay, involving enzymes or microorganisms C12M, C12Q)

## Abstract

A peak-waveform conversion processor detects a peak in a profile spectrum created based on data obtained at each measurement point in a sample's measurement area, and acquires a rod-like peak by performing centroid conversion processing on a waveform of the peak having a mountain shape. When an operator specifies a target compound to be observed, a mass difference calculation unit calculates a mass difference between a precise m/z of the target compound and an m/z of a rod-like peak at a position close to the precise m/z for each measurement point. A mass difference image creator creates an image showing a distribution of mass differences based on the calculated mass differences. A mass difference related information calculation unit acquires an index value such as an average value of a plurality of mass differences for each mass difference image, and creates a graph showing a frequency distribution of the mass differences.

## Claims

### Claim 1

An imaging mass spectrometry data processing device configured to process mass spectrometry data which is profile data obtained from a plurality of micro areas in a measurement area on a sample, the imaging mass spectrometry data processing device comprising:
a) an input reception unit configured to receive a specification by a user of a compound or a mass-to-charge ratio value to be displayed in a mass spectrometry image;
b) a mass difference calculation unit configured to calculate a difference, for each micro area, between a mass-to-charge ratio value corresponding to a compound specified by the user or a target mass-to-charge ratio value which is a mass-to-charge ratio value specified by the user, and an observed mass-to-charge ratio value which is acquired from a peak observed in a profile spectrum formed using the profile data and which is inferred to correspond to the target mass-to-charge ratio value, and
c) a mass difference image creator configured to create and display an image showing a two-dimensional distribution of mass differences corresponding to the measurement area or a part of the measurement area based on information on the mass difference calculated by the mass difference calculation unit for each micro area.

### Claim 2 (depends on 1)

The imaging mass spectrometry data processing device according to claim 1, further comprising:
an index value calculation unit configured to calculate an index value representing an overall tendency of mass differences in a plurality of micro areas included in all or a part of the measurement area based on the mass differences in the plurality of micro areas.

### Claim 3 (depends on 1)

The imaging mass spectrometry data processing device according to claim 1, further comprising:
a graph creation unit configured to create a graph showing a tendency of a distribution of mass differences in a plurality of micro areas included in all or a part of the measurement area based on the mass differences in the plurality of micro areas.