Spectra pair

8 methods · 2005–2020

Spectra pair: Two spectra of the same peptide, from complementary fragmentation or from a paired digest, interpreted together so that one ion series fills the gaps in the other.

Two spectra of the same peptide, from complementary fragmentation or from a paired digest, interpreted together so that one ion series fills the gaps in the other.

The earliest of its 8 methods is ICATcher (2005); 7 more have followed.

Methods 8
Papers describing them 8
Authors 47
Active 2005-03-25 to 2020-02-15
Kinds algorithm (6), adjacent (2)
Acquisition DDA (8)

Methods (8)

Oldest first, by the paper that describes each one.

  • ICATcher (2005): Open-source algorithm that finds pairs of light and heavy isotope-tagged MS/MS spectra without a sequence database, as a basis for de novo sequencing and PTM discovery.
  • CompNovo (2009): De novo sequencing algorithm combining complementary CID and ETD tandem MS spectra.
  • ADEPTS (2010): Advanced peptide de novo sequencing framework using a pair of tandem mass spectra.
  • NovoPair (2014): Extends the authors’ spectrum graph model to pairs of CID or HCD and ECD or ETD spectra of the same peptide, using the ion types of both to improve full-length de novo sequencing accuracy over pNovo+.
  • Paired Lys-N/Lys-C transposed de novo sequencing (2015): Pairs spectra from Lys-N and Lys-C digests whose sequences are single-residue transposed and solves them together as one de novo problem, with residue-level confidence.
  • Lys-C/Lys-N FT-ICR de novo sequencing (2017): Pairs Lys-C and Lys-N digests, whose peptides share mass and retention time but fragment differently, with ultrahigh-resolution FT-ICR MS/MS for de novo amino acid sequencing.
  • pNovoM (2019): De novo sequencing from mirror spectrum pairs: digesting the same sample with Ac-LysargiNase and with trypsin yields two spectra whose b and y ion series complement each other, which pins down the sequence far more confidently than either alone.
  • Lys-Sequencer (2020): Database-independent de novo sequencing from paired Lys-C and Lys-N digests, whose single-residue-transposed peptides yield complementary high-resolution spectra, with residue-level confidence reported per call.

Papers describing them (8)

Authors (47)

Alan G. Marshall, Andreas Bertsch, Andreas Leinenbach, Anthony J. Kusalik, Anton Pervukhin, Bin Ma, Carsten Baessmann, Christian G. Huber, Christopher M. Overall, Dorothea Rutishauser, Fang-Xiang Wu, Fei-Lin Wu, Feng Xu, Frank Potthast, Fu-Qiang Wang, Hao Chi, Hao Yang, Jiri Ocenasek, Jun-Ling Zhang, Lichao Zhang, Lin He, Markus Lubeck, Martin Pelikan, Ming-Zhi Zhao, Naomi C. Brownstein, Nicolas L. Young, Ning Li (Tarrytown), Oliver Kohlbacher, Peter A. DiMaggio, Ping Xu, Qian Zhang, Qiangwei Xia, Ralf Hartmer, Ralph Schlapbach, Rolf Müller, Sebastian Böcker, Si-Min He, Thomas J. Daly, Wei-Di Xiao, Wen-Feng Zeng, Xi Wang, Xiaoyan Guan, Yan Yan, Yanchang Li, Yasser A. Elnakady, Yi-Hao Wang, Yuan Mao

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