# US 12,111,285 B2 · Mass spectrometry method and mass spectrometer > Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt - Number: US 12,111,285 B2 - Document ID: US12111285B2 - Status: Granted - Kind: B2 - Application number: 17/767,946 - Filed: 2019-11-11 - Published: 2024-03-28 - Granted: 2024-10-08 - Earliest claimed: 2019-11-11 - Assignees: Shimadzu Corporation - Applicants: Shimadzu Corporation - Inventors: Hidenori Takahashi; Sadanori Sekiya; Shosei Yamauchi - Web page: https://patentgrep.com/patent/US12111285B2 ## CPC - G01N 27/62: by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode - H01J 49/0045: {characterised by the fragmentation or other specific reaction} - H01J 49/26: Mass spectrometers or separator tubes - 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) - H01J: ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS (spark-gaps H01T; electric arc lamps H05B31/00; particle accelerators H05H) ## Abstract First product ion spectrum data is acquired by dissociating a precursor ion derived from a sample component by collision between the precursor ion and an inert gas molecule to generate product ions, and detecting the product ions after separating the product ions according to a mass-to-charge ratio; second product ion spectrum data is acquired by dissociating the precursor ion by a reaction of the precursor ion with hydrogen radicals to generate product ions, and detecting the product ions after separating the product ions according to a mass-to-charge ratio; and a set of product ions having a predetermined mass difference is extracted in the first product ion spectrum data and the second product ion spectrum data. ## Claims ### Claim 1 A mass spectrometry method comprising steps of: acquiring first product ion spectrum data by dissociating a precursor ion derived from a sample component by collision between the precursor ion and an inert gas molecule to generate product ions, and detecting the product ions after separating the product ions according to a mass-to-charge ratio; acquiring second product ion spectrum data by dissociating the precursor ion by a reaction of the precursor ion with hydrogen radicals to generate product ions, and detecting the product ions after separating the product ions according to a mass-to-charge ratio; and extracting a set of product ions having a predetermined mass difference in the first product ion spectrum data and the second product ion spectrum data. ### Claim 2 (depends on 1) The mass spectrometry method according to claim 1, wherein the predetermined mass difference is 2 Da. ### Claim 3 (depends on 1) The mass spectrometry method according to claim 1, wherein it is further determined whether or not the extracted set of product ions is generated by dissociation of a cyclic moiety of the precursor ion. ### Claim 4 (depends on 3) The mass spectrometry method according to claim 3 further comprising using a compound database storing spectrum data of product ions generated by collision between a precursor ion and an inert gas molecule and/or spectrum data of product ions generated by a reaction between a precursor ion and hydrogen radicals, for a known compound, to estimate a compound candidate for the sample component by collating the first production spectrum data and/or the second product ion spectrum data with product ion spectrum data stored in the compound database. ### Claim 5 (depends on 4) The mass spectrometry method according to claim 4 further comprising obtaining a score based on a degree of coincidence of product ion spectrum data in the collation for the compound candidate. ### Claim 6 (depends on 5) The mass spectrometry method according to claim 5 further comprising adding a predetermined value to the score based on a result of the determination. ### Claim 7 A mass spectrometer comprising: a reaction chamber into which a precursor ion derived from a sample component is introduced; an inert gas introducing section configured to introduce an inert gas into the reaction chamber; a hydrogen radical introducing section configured to introduce hydrogen radicals into the reaction chamber; an ion detecting section configured to detect ions emitted from the reaction chamber after separating the ions according to a mass-to-charge ratio; a first measurement controller which is a controller configured to control the inert gas introducing section and the ion detecting section, the first measurement controller configured to dissociate the precursor ion by collision between the precursor ion and an inert gas molecule to generate product ions, and acquire first product ion spectrum data by detecting the product ions by the ion detecting section; a second measurement controller which is a controller configured to control the hydrogen radical introducing section and the ion detecting section, the second measurement controller configured to dissociate the precursor ion by a reaction between the precursor ion and hydrogen radicals to generate product ions, and acquire second product ion spectrum data by detecting the product ions by the ion detecting section; and a product ion set extractor configured to extract a set of product ions having a predetermined mass difference in the first product ion spectrum data and the second production spectrum data obtained for a same precursor ion. ### Claim 8 (depends on 7) The mass spectrometer according to claim 7, wherein the predetermined mass difference is 2 Da. ### Claim 9 (depends on 7) The mass spectrometer according to claim 7 further comprising a determiner configured to determine whether or not the set of product ions extracted by the product ion set extractor is generated by dissociation of a cyclic moiety of a precursor ion derived from the compound candidate. ### Claim 10 (depends on 7) The mass spectrometer according to claim 7 further comprising: a compound database storing spectrum data of product ions generated by collision between a precursor ion and an inert gas molecule and/or spectrum data of product ions generated by a reaction between a precursor ion and hydrogen radicals, for a known compound; and a compound estimator configured to estimate a compound candidate for the sample component by collating the first product ion spectrum data and/or the second product ion spectrum data with product ion spectrum data stored in the compound database. ### Claim 11 (depends on 10) The mass spectrometer according to claim 10, wherein the compound estimator is configured to obtain a score based on a degree of coincidence of spectrum data in the collation for the compound candidate. ### Claim 12 (depends on 11) The mass spectrometer according to claim 11, wherein the compound estimator is configured to add a predetermined value to the score based on a determination result by the determiner.