In this section
@article{Driver:2021:10.3390/molecules26123728,
author = {Driver, T and Bachhawat, N and Frasinski, L and Marangos, J and Averbukh, V and Edelson-Averbukh, M},
doi = {10.3390/molecules26123728},
journal = {Molecules},
title = {Chimera spectrum diagnostics for peptides using two-dimensional partial covariance mass spectrometry},
url = {http://dx.doi.org/10.3390/molecules26123728},
volume = {26},
year = {2021}
}
TY - JOUR
AB - The rate of successful identification of peptide sequences by tandem mass spectrometry (MS/MS) is adversely affected by the common occurrence of co-isolation and co-fragmentation of two or more isobaric or isomeric parent ions. This results in so-called `chimera spectra’, which feature peaks of the fragment ions from more than a single precursor ion. The totality of the fragment ion peaks in chimera spectra cannot be assigned to a single peptide sequence, which contradicts a fundamental assumption of the standard automated MS/MS spectra analysis tools, such as protein database search engines. This calls for a diagnostic method able to identify chimera spectra to single out the cases where this assumption is not valid. Here, we demonstrate that, within the recently developed two-dimensional partial covariance mass spectrometry (2D-PC-MS), it is possible to reliably identify chimera spectra directly from the two-dimensional fragment ion spectrum, irrespective of whether the co-isolated peptide ions are isobaric up to a finite mass accuracy or isomeric. We introduce ‘3-57 chimera tag’ technique for chimera spectrum diagnostics based on 2D-PC-MS and perform numerical simulations to examine its efficiency. We experimentally demonstrate the detection of a mixture of two isomeric parent ions, even under conditions when one isomeric peptide is at one five-hundredth of the molar concentration of the second isomer.
AU - Driver,T
AU - Bachhawat,N
AU - Frasinski,L
AU - Marangos,J
AU - Averbukh,V
AU - Edelson-Averbukh,M
DO - 10.3390/molecules26123728
PY - 2021///
SN - 1420-3049
TI - Chimera spectrum diagnostics for peptides using two-dimensional partial covariance mass spectrometry
T2 - Molecules
UR - http://dx.doi.org/10.3390/molecules26123728
UR - http://hdl.handle.net/10044/1/90259
VL - 26
ER -