HighLight-PTM: An online application to aid matching peptide pairs with isotopically labelled PTMs
File(s)btz654.pdf (499.07 KB)
Published version
Author(s)
Whitwell, Harry
DiMaggio, Peter
Type
Journal Article
Abstract
Motivation
Database searching of isotopically labelled PTMs can be problematic and we frequently find that only one, or neither in a heavy/light pair are assigned. In such cases, having a pair of MS/MS spectra that differ due to an isotopic label can assist in identifying the relevant m/z values that support the correct peptide annotation or can be used for de novo sequencing.
Results
We have developed an online application that identifies matching peaks and peaks differing by the appropriate mass shift (difference between heavy and light PTM) between two MS/MS spectra. Furthermore, the application predicts, from the exact-match peaks, the mass of their complementary ions and highlights these as high confidence matches between the two spectra. The result is a tool to visually compare two spectra, and downloadable peaks lists that can be used to support de novo sequencing.
Availability
HiLight-PTM is released using shinyapps.io by RStudio, and can be accessed from any internet browser at https://harrywhitwell.shinyapps.io/hilight-ptm/
Supplementary information
Supplementary data are available at Bioinformatics online.
Database searching of isotopically labelled PTMs can be problematic and we frequently find that only one, or neither in a heavy/light pair are assigned. In such cases, having a pair of MS/MS spectra that differ due to an isotopic label can assist in identifying the relevant m/z values that support the correct peptide annotation or can be used for de novo sequencing.
Results
We have developed an online application that identifies matching peaks and peaks differing by the appropriate mass shift (difference between heavy and light PTM) between two MS/MS spectra. Furthermore, the application predicts, from the exact-match peaks, the mass of their complementary ions and highlights these as high confidence matches between the two spectra. The result is a tool to visually compare two spectra, and downloadable peaks lists that can be used to support de novo sequencing.
Availability
HiLight-PTM is released using shinyapps.io by RStudio, and can be accessed from any internet browser at https://harrywhitwell.shinyapps.io/hilight-ptm/
Supplementary information
Supplementary data are available at Bioinformatics online.
Date Issued
2020-02-01
Date Acceptance
2019-08-14
Citation
Bioinformatics, 2020, 36 (3), pp.938-939
ISSN
1367-4803
Publisher
Oxford University Press (OUP)
Start Page
938
End Page
939
Journal / Book Title
Bioinformatics
Volume
36
Issue
3
Copyright Statement
© The Author(s) 2019. Published by Oxford University Press.
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
Sponsor
Cancer Research UK
Identifier
https://academic.oup.com/bioinformatics/advance-article/doi/10.1093/bioinformatics/btz654/5551339
Grant Number
23619
Subjects
Science & Technology
Life Sciences & Biomedicine
Technology
Physical Sciences
Biochemical Research Methods
Biotechnology & Applied Microbiology
Computer Science, Interdisciplinary Applications
Mathematical & Computational Biology
Statistics & Probability
Biochemistry & Molecular Biology
Computer Science
Mathematics
METHYLATION
Bioinformatics
01 Mathematical Sciences
06 Biological Sciences
08 Information and Computing Sciences
Publication Status
Published
Date Publish Online
2019-08-19