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  4. Adding Color to Mass Spectra of Biopolymers: Charge Determination Analysis (CHARDA) Assigns Charge State to Every Ion Peak
 
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research article

Adding Color to Mass Spectra of Biopolymers: Charge Determination Analysis (CHARDA) Assigns Charge State to Every Ion Peak

Lyutvinskiy, Yaroslav
•
Nagornov, Konstantin O.
•
Kozhinov, Anton N.
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April 12, 2024
Journal Of The American Society For Mass Spectrometry

Traditionally, mass spectrometry (MS) output is the ion abundance plotted versus the ionic mass-to-charge ratio m/z. While employing only commercially available equipment, Charge Determination Analysis (CHARDA) adds a third dimension to MS, estimating for individual peaks their charge states z starting from z = 1 and color coding z in m/z spectra. CHARDA combines the analysis of ion signal decay rates in the time-domain data (transients) in Fourier transform (FT) MS with the interrogation of mass defects (fractional mass) of biopolymers. Being applied to individual isotopic peaks in a complex protein tandem (MS/MS) data set, CHARDA aids peptide mass spectra interpretation by facilitating charge-state deconvolution of large ionic species in crowded regions, estimating z even in the absence of an isotopic distribution (e.g., for monoisotopic mass spectra). CHARDA is fast, robust, and consistent with conventional FTMS and FTMS/MS data acquisition procedures. An effective charge-state resolution R-z >= 6 is obtained with the potential for further improvements.

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Type
research article
DOI
10.1021/jasms.3c00442
Web of Science ID

WOS:001203928900001

Author(s)
Lyutvinskiy, Yaroslav
•
Nagornov, Konstantin O.
•
Kozhinov, Anton N.
•
Gasilova, Natalia  
•
Menin, Laure  
•
Meng, Zhaowei
•
Zhang, Xuepei
•
Saei, Amir Ata
•
Fu, Tingting
•
Chamot-Rooke, Julia
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Date Issued

2024-04-12

Publisher

Amer Chemical Soc

Published in
Journal Of The American Society For Mass Spectrometry
Subjects

Life Sciences & Biomedicine

•

Physical Sciences

•

Technology

•

Mass Spectrometry

•

Polypeptide

•

Proteomics

•

Spectrum

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ISIC-MSEAP  
FunderGrant Number

Horizon 2020 Framework Programme

2017-04303

Swedish Research Council

829157

EU

Available on Infoscience
May 1, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/207705
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