Automated Control of Injection Times for Unattended Acquisition of Multiplexed Individual Ion Mass Spectra

John P. McGee; Michael W. Senko; Kevin Jooß; Benjamin J. Des Soye; Philip D. Compton; Neil L. Kelleher; Jared O. Kafader

doi:10.1021/acs.analchem.2c03495

Automated Control of Injection Times for Unattended Acquisition of Multiplexed Individual Ion Mass Spectra

John P. McGee
, Michael W. Senko
, Kevin Jooß
, Benjamin J. Des Soye
, Philip D. Compton
, Neil L. Kelleher
, Jared O. Kafader

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Charge detection mass spectrometry (CDMS) provides mass domain spectra of large and highly heterogeneous analytes. Over the past few years, we have multiplexed CDMS on Orbitrap instruments, an approach termed Individual Ion Mass Spectrometry (I2MS). Until now, I2MS required manual adjustment of injection times to collect spectra in the individual ion regime. To increase sample adaptability, enable online separations, and reduce the barrier for entry, we report an automated method for adjusting ion injection times in I2MS for image current detectors like the Orbitrap. Automatic Ion Control (AIC) utilizes the density of signals in the m/z domain to adjust an ensemble of ions down to the individual ion regime in real-time. The AIC technique was applied to both denatured and native proteins yielding high quality data without human intervention directly in the mass domain.

Original language	English
Pages (from-to)	16543-16548
Journal	Analytical chemistry
Volume	94
Issue number	48
DOIs	https://doi.org/10.1021/acs.analchem.2c03495
Publication status	Published - 6 Dec 2022
Externally published	Yes

Funding

This study was funded by the National Institute of Health under a grant from the National Institute of General Medical Sciences P41 GM108569 (N.L.K.); Walder Foundation grant number SCI16; the NIH Office of Director award S10 OD025194 (P.D.C.); the Northwestern Medicine Dr. Michael M. Abecassis Transplant Innovation Endowment Grant; NCI CCSG P30 CA060553 (awarded to the Robert H. Lurie Comprehensive Cancer Center). Further support from an F31 Fellowship to J.P.M. (F31 AG069456) is acknowledged.

Funders	Funder number
Northwestern Medicine
Walder Foundation	SCI16
National Institutes of Health	S10 OD025194
National Cancer Institute	F31 AG069456, CCSG P30 CA060553
National Institute of General Medical Sciences	P41 GM108569

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title = "Automated Control of Injection Times for Unattended Acquisition of Multiplexed Individual Ion Mass Spectra",

abstract = "Charge detection mass spectrometry (CDMS) provides mass domain spectra of large and highly heterogeneous analytes. Over the past few years, we have multiplexed CDMS on Orbitrap instruments, an approach termed Individual Ion Mass Spectrometry (I2MS). Until now, I2MS required manual adjustment of injection times to collect spectra in the individual ion regime. To increase sample adaptability, enable online separations, and reduce the barrier for entry, we report an automated method for adjusting ion injection times in I2MS for image current detectors like the Orbitrap. Automatic Ion Control (AIC) utilizes the density of signals in the m/z domain to adjust an ensemble of ions down to the individual ion regime in real-time. The AIC technique was applied to both denatured and native proteins yielding high quality data without human intervention directly in the mass domain.",

author = "McGee, \{John P.\} and Senko, \{Michael W.\} and Kevin Joo{\ss} and \{Des Soye\}, \{Benjamin J.\} and Compton, \{Philip D.\} and Kelleher, \{Neil L.\} and Kafader, \{Jared O.\}",

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doi = "10.1021/acs.analchem.2c03495",

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T1 - Automated Control of Injection Times for Unattended Acquisition of Multiplexed Individual Ion Mass Spectra

AU - McGee, John P.

AU - Senko, Michael W.

AU - Jooß, Kevin

AU - Des Soye, Benjamin J.

AU - Compton, Philip D.

AU - Kelleher, Neil L.

AU - Kafader, Jared O.

PY - 2022/12/6

Y1 - 2022/12/6

N2 - Charge detection mass spectrometry (CDMS) provides mass domain spectra of large and highly heterogeneous analytes. Over the past few years, we have multiplexed CDMS on Orbitrap instruments, an approach termed Individual Ion Mass Spectrometry (I2MS). Until now, I2MS required manual adjustment of injection times to collect spectra in the individual ion regime. To increase sample adaptability, enable online separations, and reduce the barrier for entry, we report an automated method for adjusting ion injection times in I2MS for image current detectors like the Orbitrap. Automatic Ion Control (AIC) utilizes the density of signals in the m/z domain to adjust an ensemble of ions down to the individual ion regime in real-time. The AIC technique was applied to both denatured and native proteins yielding high quality data without human intervention directly in the mass domain.

AB - Charge detection mass spectrometry (CDMS) provides mass domain spectra of large and highly heterogeneous analytes. Over the past few years, we have multiplexed CDMS on Orbitrap instruments, an approach termed Individual Ion Mass Spectrometry (I2MS). Until now, I2MS required manual adjustment of injection times to collect spectra in the individual ion regime. To increase sample adaptability, enable online separations, and reduce the barrier for entry, we report an automated method for adjusting ion injection times in I2MS for image current detectors like the Orbitrap. Automatic Ion Control (AIC) utilizes the density of signals in the m/z domain to adjust an ensemble of ions down to the individual ion regime in real-time. The AIC technique was applied to both denatured and native proteins yielding high quality data without human intervention directly in the mass domain.

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U2 - 10.1021/acs.analchem.2c03495

DO - 10.1021/acs.analchem.2c03495

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SN - 0003-2700

VL - 94

SP - 16543

EP - 16548

JO - Analytical chemistry

JF - Analytical chemistry

IS - 48

ER -

Automated Control of Injection Times for Unattended Acquisition of Multiplexed Individual Ion Mass Spectra

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