Improved Signal Processing for Mass Shifting Ions in Charge Detection Mass Spectrometry

Michael P. Goodwin; Dmitry Grinfeld; Ping Yip; Kyle P. Bowen; Jared O. Kafader; Neil L. Kelleher; Michael W. Senko

doi:10.1021/jasms.3c00435

Improved Signal Processing for Mass Shifting Ions in Charge Detection Mass Spectrometry

Michael P. Goodwin, Dmitry Grinfeld, Ping Yip, Kyle P. Bowen, Jared O. Kafader, Neil L. Kelleher, Michael W. Senko^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

The quality of data in charge detection mass spectrometry depends on accurate determination of ion charge. While the method of selective temporal overview of resonant ions (STORI) has proven to be highly enabling for determining the charge of ions that survive for variable amounts of time, it assumes that the ion frequency exactly matches the frequency being used in the calculation. Any mismatches result in low charge estimates. To address this, the misSTORI method was developed to correct these discrepancies. This can significantly reduce the charge measurement errors for samples with unstable masses. As an example, the misSTORI approach can eliminate a 5.7% charge determination error for a VP3-only AAV capsid that shifts 25 ppm in mass.

Original language	English (US)
Pages (from-to)	658-662
Number of pages	5
Journal	Journal of the American Society for Mass Spectrometry
Volume	35
Issue number	4
DOIs	https://doi.org/10.1021/jasms.3c00435
State	Published - Apr 3 2024

Funding

We thank Rosa Viner for providing the VP3 sample used in this study. This study was supported by the National Institute of General Medical Sciences of the Nation Institutes of Health under P41GM108569 (NLK).

ASJC Scopus subject areas

Structural Biology
Spectroscopy

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10.1021/jasms.3c00435

Cite this

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title = "Improved Signal Processing for Mass Shifting Ions in Charge Detection Mass Spectrometry",

abstract = "The quality of data in charge detection mass spectrometry depends on accurate determination of ion charge. While the method of selective temporal overview of resonant ions (STORI) has proven to be highly enabling for determining the charge of ions that survive for variable amounts of time, it assumes that the ion frequency exactly matches the frequency being used in the calculation. Any mismatches result in low charge estimates. To address this, the misSTORI method was developed to correct these discrepancies. This can significantly reduce the charge measurement errors for samples with unstable masses. As an example, the misSTORI approach can eliminate a 5.7% charge determination error for a VP3-only AAV capsid that shifts 25 ppm in mass.",

author = "Goodwin, {Michael P.} and Dmitry Grinfeld and Ping Yip and Bowen, {Kyle P.} and Kafader, {Jared O.} and Kelleher, {Neil L.} and Senko, {Michael W.}",

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T1 - Improved Signal Processing for Mass Shifting Ions in Charge Detection Mass Spectrometry

AU - Goodwin, Michael P.

AU - Grinfeld, Dmitry

AU - Yip, Ping

AU - Bowen, Kyle P.

AU - Kafader, Jared O.

AU - Kelleher, Neil L.

AU - Senko, Michael W.

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AB - The quality of data in charge detection mass spectrometry depends on accurate determination of ion charge. While the method of selective temporal overview of resonant ions (STORI) has proven to be highly enabling for determining the charge of ions that survive for variable amounts of time, it assumes that the ion frequency exactly matches the frequency being used in the calculation. Any mismatches result in low charge estimates. To address this, the misSTORI method was developed to correct these discrepancies. This can significantly reduce the charge measurement errors for samples with unstable masses. As an example, the misSTORI approach can eliminate a 5.7% charge determination error for a VP3-only AAV capsid that shifts 25 ppm in mass.

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Improved Signal Processing for Mass Shifting Ions in Charge Detection Mass Spectrometry

Abstract

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