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@ARTICLE{Driver:276354,
      author       = {T. Driver and R. Pipkorn$^*$ and V. Averbukh and L. J.
                      Frasinski and J. P. Marangos and M. Edelson-Averbukh},
      title        = {{I}dentification of {C}ofragmented {C}ombinatorial
                      {P}eptide {I}somers by {T}wo-{D}imensional {P}artial
                      {C}ovariance {M}ass {S}pectrometry.},
      journal      = {Journal of the American Society for Mass Spectrometry},
      volume       = {34},
      number       = {7},
      issn         = {1044-0305},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {DKFZ-2023-01074},
      pages        = {1230-1234},
      year         = {2023},
      note         = {2023 Jul 5;34(7):1230-1234},
      abstract     = {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.},
      keywords     = {2D-PC-MS (Other) / combinatorial PTMs (Other) / histones
                      (Other) / marker ion correlations (Other) / mass
                      spectrometry (Other)},
      cin          = {D015},
      ddc          = {530},
      cid          = {I:(DE-He78)D015-20160331},
      pnm          = {314 - Immunologie und Krebs (POF4-314)},
      pid          = {G:(DE-HGF)POF4-314},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:37252811},
      doi          = {10.1021/jasms.3c00111},
      url          = {https://inrepo02.dkfz.de/record/276354},
}