@article{Driver:2023:10.1021/jasms.3c00111,
author = {Driver, T and Pipkorn, R and Averbukh, V and Frasinski, LJJ and Marangos, JPP and Edelson-Averbukh, M},
doi = {10.1021/jasms.3c00111},
journal = {Journal of the American Society for Mass Spectrometry},
pages = {1230--1234},
title = {Identification of cofragmented combinatorial peptide isomers by two-dimensional partial covariance mass spectrometry},
url = {http://dx.doi.org/10.1021/jasms.3c00111},
volume = {34},
year = {2023}
}

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TY  - JOUR
AB  - Combinatorial post-translational modifications (PTMs), such as those forming the so-called “histone code”, have been linked to cell differentiation, embryonic development, cellular reprogramming, aging, cancers, neurodegenerative disorders, etc. Nevertheless, a reliable mass spectral analysis of the combinatorial isomers represents a considerable challenge. The difficulty stems from the incompleteness of information that could be generated by the standard MS to differentiate cofragmented isomeric sequences in their naturally occurring mixtures based on the fragment mass-to-charge ratio and relative abundance information only. Here we show that fragment–fragment correlations revealed by two-dimensional partial covariance mass spectrometry (2D-PC-MS) allow one to solve the combinatorial PTM puzzles that cannot be tackled by the standard MS as a matter of principle. We introduce 2D-PC-MS marker ion correlation approach and demonstrate experimentally that it can provide the missing information enabling identification of cofragmentated combinatorially modified isomers. Our in silico study shows that the marker ion correlations can be used to unambiguously identify 5 times more cofragmented combinatorially acetylated tryptic peptides and 3 times more combinatorially modified Glu-C peptides of human histones than is possible using standard MS methods.
AU  - Driver,T
AU  - Pipkorn,R
AU  - Averbukh,V
AU  - Frasinski,LJJ
AU  - Marangos,JPP
AU  - Edelson-Averbukh,M
DO  - 10.1021/jasms.3c00111
EP  - 1234
PY  - 2023///
SN  - 1044-0305
SP  - 1230
TI  - Identification of cofragmented combinatorial peptide isomers by two-dimensional partial covariance mass spectrometry
T2  - Journal of the American Society for Mass Spectrometry
UR  - http://dx.doi.org/10.1021/jasms.3c00111
UR  - https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:001011126500001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a2bf6146997ec60c407a63945d4e92bb
UR  - https://pubs.acs.org/doi/10.1021/jasms.3c00111
UR  - http://hdl.handle.net/10044/1/106949
VL  - 34
ER  - 

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