# US 2026/0074170 A1 · Methods and systems for individual ion mass spectrometry

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- Number: US 2026/0074170 A1
- Document ID: US20260074170A1
- Status: Published application
- Kind: A1
- Application number: 18/871,150
- Filed: 2023-06-02
- Published: 2026-03-12
- Earliest claimed: 2022-06-02
- Assignees: Northwestern University
- Applicants: Northwestern University
- Inventors: John P. McGee; Bryon Shane Drown; Jared Otto Kafader; Neil L. Kelleher; Philip D. Compton
- Web page: https://patentgrep.com/patent/US20260074170A1

## CPC

- H01J 49/0027: {Methods for using particle spectrometers}
- H01J 49/0036: {Step by step routines describing the handling of the data generated during a measurement}
- 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}
- H01J 49/26: Mass spectrometers or separator tubes
- H01J: ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS (spark-gaps H01T; electric arc lamps H05B31/00; particle accelerators H05H)

## Abstract

Disclosed herein are methods and systems for individual ion mass spectrometry (I2MS). The methods and systems described herein parse I2MS data and allows for informed tandem mass spectrometry analyses by determining a target m/z that increases the yield of an intact mass corresponding to an analyte of interest while reducing the yield of additional detectable masses.

## Claims

### Claim 1

A method for determining a target m/z, the method comprising:
producing, with an ion source, ions of a sample, each of the ions having a mass-to-charge (m/z) ratio;
generating, with a detector, detector signals corresponding to the m/z ratios of ions in the sample; and
determining, with a controller, the target m/z, wherein the target m/z is selected for an intact-mass corresponding to an analyte of interest.

### Claim 2 (depends on 1)

The method of claim 1, wherein the m/z target increases the yield of the intact-mass corresponding to the analyte of interest and reduces the yield of one or more additional detectable masses.

### Claim 3 (depends on 2)

The method of claim 2, wherein the one or more additional detectable masses comprise a mass of a fragment of the analyte of interest, a mass of a fragment of a co-isolate, an intact-mass of a co-isolate, or any combination thereof.

### Claim 4 (depends on 1)

The method of claim 1, wherein the target m/z is determined by:
generating a mass spectrum from detector signals corresponding to the m/z ratios of ions in the sample;
selecting, from the mass spectrum, mass spectrum signals above a relative intensity threshold to determine masses of interest;
generating, from each of the masses of interest, a parallelized m/z spectrum, wherein the parallelized m/z spectrum comprises reconstructed m/z spectra for each of the masses of interest; and
determining from the reconstructed m/z spectra for each of the masses of interest the target m/z.

### Claim 5

A method for determining a mass spectrum, the method comprising:
producing, with an ion source, ions of a sample, each of the ions having a mass-to-charge (m/z) ratio;
generating, with a detector, detector signals at a target m/z, wherein the target m/z is selected for an intact-mass corresponding to an analyte of interest; and
determining, with a mass analyzer, a mass spectrum for the target m/z.

### Claim 6 (depends on 5)

The method of claim 5, wherein the m/z target increases the yield of the intact-mass corresponding to the analyte of interest and reduces the yield of one or more additional detectable masses.

### Claim 7 (depends on 6)

The method of claim 6, wherein the one or more additional detectable masses comprise a mass of a fragment of the analyte of interest, a mass of a fragment of a co-isolate of interest, an intact-mass of a co-isolate, or any combination thereof.

### Claim 8 (depends on 5)

The method of claim 5, wherein the target m/z is determined by:
generating a mass spectrum from detector signals corresponding to the m/z ratios of ions in the sample;
selecting, from the mass spectrum, mass spectrum signals above a relative intensity threshold to determine masses of interest;
generating, from each of the masses of interest, a parallelized m/z spectrum, wherein the parallelized m/z spectrum comprises reconstructed m/z spectra for each of the masses of interest; and
determining from the reconstructed m/z spectra for each of the masses of interest the target m/z.

### Claim 9

A method for generating a target mass report, the method comprising:
producing, with an ion source, ions of a sample, each of the ions having a mass-to-charge (m/z) ratio;
generating, with a detector, detector signals corresponding to the m/z ratios of ions in the sample; and
generating, with a controller, a target mass report, wherein the target mass report comprises a target mass for an analyte of interest, one or more target m/z for the target mass of the analyte of interest, a charge state for each of the one of more target m/z, and, if present, additional detectable masses for each target m/z.

### Claim 10 (depends on 9)

The method of claim 9, wherein the target mass report is generated by:
generating, with a mass analyzer, a mass spectrum from detector signals corresponding to the m/z ratios of ions in the sample;
selecting, from the mass spectrum, mass spectrum signals above a relative intensity threshold to determine masses of interest;
generating, from each of the masses of interest, a parallelized m/z spectrum, wherein the parallelized m/z spectrum comprises reconstructed m/z spectra for each of the masses of interest; and
comparing the reconstructed m/z spectra for each of the masses of interest.

### Claim 11 (depends on 1)

A system for determining a target m/z configured to perform the method according to the method of claim 1, the system comprising:
(a) an inlet portion configured to receive a sample;
(b) an ion source configured to ionize the sample to ions, each of the ions having a mass-to-charge (m/z) ratio;
(c) the detector configured to generate detector signals corresponding to the m/z ratio of detected ions; and
(e) a controller configured to receive the detector signals and programmed to determine the target m/z, wherein the target m/z is selected for an intact-mass corresponding to an analyte of interest.

### Claim 12 (depends on 11)

The system of claim 11, wherein the determineCurrd target m/z increases the yield of the intact-mass corresponding to the analyte of interest and reduces the yield of one or more additional detectable masses.

### Claim 13 (depends on 12)

The system of claim 12, wherein the one or more additional detectable masses comprise a mass of a fragment of the analyte of interest, a mass of a fragment of a co-isolate of interest, an intact-mass of a co-isolate, or any combination thereof.

### Claim 14 (depends on 11)

The system of claim 11, wherein the controller is configured to determine the target m/z by:
generating a mass spectrum from detector signals corresponding to the m/z ratios of ions in the sample;
selecting, from the mass spectrum, mass spectrum signals above a relative intensity threshold to determine masses of interest;
generating, from each of the masses of interest, a parallelized m/z spectrum, wherein the parallelized m/z spectrum comprises reconstructed m/z spectra for each of the masses of interest; and
determining from the reconstructed m/z spectra for each of the masses of interest the target m/z.

### Claim 15 (depends on 5)

A system for determining a mass spectrum configured to perform the method according to claim 5, the system comprising:
(a) an inlet portion configured to receive a sample;
(b) an ion source configured to ionize the sample to ions, each of the ions having a mass-to-charge (m/z) ratio;
(c) an ion selector configured to select ions having a target m/z;
(d) the detector configured to generate detector signals corresponding to the selected ions; and
(e) a controller configured to receive the detector signals and programmed to determine a mass spectrum,
wherein the target m/z is selected for an intact-mass corresponding to an analyte of interest.

### Claim 16 (depends on 15)

The system of claim 15, wherein the determined target m/z increases the yield of the intact-mass corresponding to the analyte of interest and reduces the yield of one or more additional detectable masses.

### Claim 17 (depends on 16)

The system of claim 16, wherein the one or more additional detectable masses comprise a mass of a fragment of the analyte of interest, a mass of a fragment of a co-isolate of interest, an intact-mass of a co-isolate, or any combination thereof.

### Claim 18 (depends on 15)

The system of claim 15, wherein system further comprises a controller configured to determine the target m/z.

### Claim 19 (depends on 15)

The system of claim 15, wherein the target m/z is determined by:
generating a mass spectrum from detector signals corresponding to the m/z ratios of ions in the sample;
selecting, from the mass spectrum, mass spectrum signals above a relative intensity threshold to determine masses of interest;
generating, from each of the masses of interest, a parallelized m/z spectrum, wherein the parallelized m/z spectrum comprises reconstructed m/z spectra for each of the masses of interest; and
determining from the reconstructed m/z spectra for each of the masses of interest the target m/z.

### Claim 20 (depends on 9)

A system for generating a target mass report configured to perform the method according to claim 9, the system comprising:
(a) an inlet portion configured to receive a sample;
(b) an ion source configured to ionize the sample to ions, each of the ions having a mass-to-charge (m/z) ratio;
(c) the detector configured to generate detector signals corresponding to the m/z ratio of detected ions; and
(e) a controller configured to receive the detector signals and programmed to generate a target mass report, wherein the target mass report comprises a target mass for an analyte of interest, one or more target m/z for the target mass of the analyte of interest, a charge state for each of the one of more target m/z, and, if present, additional detectable masses for each target m/z.

### Claim 21 (depends on 20)

The system of claim 20, wherein the target mass report is generated by:
generating, with a mass analyzer, a mass spectrum from detector signals corresponding to the m/z ratios of ions in the sample;
selecting, from the mass spectrum, mass spectrum signals above a relative intensity threshold to determine masses of interest;
generating, from each of the masses of interest, a parallelized m/z spectrum, wherein the parallelized m/z spectrum comprises reconstructed m/z spectra for each of the masses of interest; and
comparing the reconstructed m/z spectra for each of the masses of interest.