# US 12,002,669 B2 · Systems and methods of ion population regulation in mass spectrometry > Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt - Number: US 12,002,669 B2 - Document ID: US12002669B2 - Status: Granted - Kind: B2 - Application number: 18/163,008 - Filed: 2023-02-01 - Published: 2023-06-08 - Granted: 2024-06-04 - Earliest claimed: 2021-08-27 - Assignees: Thermo Finnigan LLC - Applicants: Thermo Finnigan LLC - Inventors: Philip M. Remes; Jesse D. Canterbury - Web page: https://patentgrep.com/patent/US12002669B2 ## CPC - G01N 30/72: Mass spectrometers {(mass spectrometers per se H01J49/00)} - H01J 49/0036: {Step by step routines describing the handling of the data generated during a measurement} - G01N 30/7206: {interfaced to gas chromatograph (interfaces in general for introducing or extracting samples to be analysed with specially adapted mass spectrometer, see H01J49/04)} - G01N 30/7233: {interfaced to liquid or supercritical fluid chromatograph (interfaces in general for introducing or extracting samples to be analysed with specially adapted mass spectrometer, see H01J49/04)} - G01N 30/8658: {Optimising operation parameters} - H01J 49/0031: {Step by step routines describing the use of the apparatus (H01J49/0081 takes precedence)} - H01J 49/004: {Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn} - G01N 2030/8804: {automated systems} - 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 A method comprises: obtaining, from a series of mass spectra including a most recent mass spectrum and a plurality of previously-acquired mass spectra, an elution profile comprising a plurality of detection points each representing intensity of ions accumulated over an accumulation time and detected by a detector as a function of time; classifying, based on a subset of detection points included in the plurality of detection points, a current signal state of the elution profile; and setting, for a next acquisition of a mass spectrum, the accumulation time based on the classified current signal state of the elution profile. ## Claims ### Claim 1 A method comprising: obtaining, from a series of mass spectra including a most recent mass spectrum and a plurality of previously-acquired mass spectra, an elution profile comprising a plurality of detection points each representing intensity of ions accumulated over an accumulation time and detected by a detector as a function of time; classifying, based on a subset of detection points included in the plurality of detection points, a current signal state of the elution profile; and setting, for a next acquisition of a mass spectrum, the accumulation time based on the classified current signal state of the elution profile. ### Claim 2 (depends on 1) The method of claim 1, wherein: the obtaining of the series of mass spectra comprises obtaining the series of mass spectra by tandem mass spectrometry. ### Claim 3 (depends on 1) The method of claim 1, wherein the elution profile is based on a total ion current of each mass spectrum included in the series of mass spectra. ### Claim 4 (depends on 1) The method of claim 1, wherein classifying the current signal state of the elution profile comprises selecting a particular signal state from among a plurality of signal states. ### Claim 5 (depends on 4) The method of claim 4, wherein each signal state indicates how the intensity of the detected ions is currently changing over time. ### Claim 6 (depends on 5) The method of claim 5, wherein the plurality of signal states comprises a baseline state, a rising state, an apex state, and a falling state. ### Claim 7 (depends on 4) The method of claim 4, wherein the setting the accumulation time based on the classified current signal state of the elution profile comprises: determining a nominal accumulation time; identifying a correction factor associated with the classified current signal state of the elution profile; and correcting the nominal accumulation time based on the correction factor associated with the classified current signal state of the elution profile. ### Claim 8 (depends on 7) The method of claim 7, wherein the nominal accumulation time is determined based on a target population of ions divided by a current ion flux. ### Claim 9 (depends on 7) The method of claim 7, wherein the correction factor is configured to optimize a reward given by a reward policy. ### Claim 10 (depends on 7) The method of claim 7, wherein the correction factor is determined based at least in part on data obtained from the series of mass spectra. ### Claim 11 (depends on 1) The method of claim 1, wherein the current signal state of the elution profile is classified based on a relative position of a selected detection point included in the plurality of detection points, the relative position of the selected detection point representing a position of the selected detection point relative to an expected reference point in the elution profile. ### Claim 12 (depends on 11) The method of claim 11, wherein the selected detection point is derived from the most-recent mass spectrum. ### Claim 13 (depends on 11) The method of claim 11, wherein the relative position of the selected detection point comprises a normalized intensity value of the selected detection point, the normalized intensity value representing a ratio of the detected intensity value of the selected detection point to an expected maximum intensity value of the elution profile. ### Claim 14 (depends on 11) The method of claim 11, wherein the relative position of the selected detection point comprises a temporal distance of the selected detection point to an expected time point in the elution profile. ### Claim 15 (depends on 11) The method of claim 11, wherein the classifying the current signal state of the elution profile comprises applying a subset of the detection points to a trained machine learning model configured to estimate the relative position of the selected detection point based on the subset of detection points. ### Claim 16 (depends on 15) The method of claim 15, wherein the machine learning model is trained based at least in part on the plurality of detection points of the elution profile. ### Claim 17 A method of performing mass spectrometry, comprising: acquiring a mass spectrum of ions accumulated over an accumulation time; and setting, for a next acquisition of a mass spectrum, the accumulation time based on a series of mass spectra including the mass spectrum and a plurality of previously-acquired mass spectra, wherein the setting of the accumulation time comprises applying, to a trained machine learning model, data derived from a subset of the group consisting of the previously-acquired mass spectra and the mass spectrum.