Model of ion intensity from tandem mass spectra for improved peptide identification and simulation

Z. Fazal, B. R. Southey, A. Sadeque, J. V. Sweedler, S. L. Rodriguez-Zas

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In tandem mass spectrometry experiments, the spectra relating peak intensity to the mass-to-charge of the ions is used to identify the peptides in a sample. However, multiple factors influence the spectra profile. An all-encompassing model that describes tandem mass spectra intensity and can offer insights into the factors that influence ion intensity was developed and applied to 61,543 mouse peptides. Several factors had a significant association with the intensity of ions formed. Among these factors are: the type of ions formed after the fragmentation of peptides, the residue content of the fragmenting peptide, proton mobility, neutral mass loss and peptide-ion charge combination. The results from our model support the precise prediction and realistic simulation of mass spectra and augment the understanding of the factors influencing ion intensity in mass spectrometry experiments.

Original languageEnglish (US)
Title of host publication2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011
Pages994-996
Number of pages3
DOIs
StatePublished - Dec 1 2011
Event2011 IEEE International Conference onBioinformatics and Biomedicine Workshops, BIBMW 2011 - Atlanta, GA, United States
Duration: Nov 12 2011Nov 15 2011

Publication series

Name2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011

Other

Other2011 IEEE International Conference onBioinformatics and Biomedicine Workshops, BIBMW 2011
CountryUnited States
CityAtlanta, GA
Period11/12/1111/15/11

Fingerprint

Peptides
Ions
Mass spectrometry
Tandem Mass Spectrometry
Protons
Mass Spectrometry
Experiments

Keywords

  • ion charge
  • ion intensity
  • ion type
  • proton mobility
  • tandem mass spectrometry

ASJC Scopus subject areas

  • Biomedical Engineering
  • Health Informatics
  • Health Information Management

Cite this

Fazal, Z., Southey, B. R., Sadeque, A., Sweedler, J. V., & Rodriguez-Zas, S. L. (2011). Model of ion intensity from tandem mass spectra for improved peptide identification and simulation. In 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011 (pp. 994-996). [6112534] (2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011). https://doi.org/10.1109/BIBMW.2011.6112534

Model of ion intensity from tandem mass spectra for improved peptide identification and simulation. / Fazal, Z.; Southey, B. R.; Sadeque, A.; Sweedler, J. V.; Rodriguez-Zas, S. L.

2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011. 2011. p. 994-996 6112534 (2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Fazal, Z, Southey, BR, Sadeque, A, Sweedler, JV & Rodriguez-Zas, SL 2011, Model of ion intensity from tandem mass spectra for improved peptide identification and simulation. in 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011., 6112534, 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011, pp. 994-996, 2011 IEEE International Conference onBioinformatics and Biomedicine Workshops, BIBMW 2011, Atlanta, GA, United States, 11/12/11. https://doi.org/10.1109/BIBMW.2011.6112534
Fazal Z, Southey BR, Sadeque A, Sweedler JV, Rodriguez-Zas SL. Model of ion intensity from tandem mass spectra for improved peptide identification and simulation. In 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011. 2011. p. 994-996. 6112534. (2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011). https://doi.org/10.1109/BIBMW.2011.6112534
Fazal, Z. ; Southey, B. R. ; Sadeque, A. ; Sweedler, J. V. ; Rodriguez-Zas, S. L. / Model of ion intensity from tandem mass spectra for improved peptide identification and simulation. 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011. 2011. pp. 994-996 (2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011).
@inproceedings{361a86149e9945ffbd09e47741d16676,
title = "Model of ion intensity from tandem mass spectra for improved peptide identification and simulation",
abstract = "In tandem mass spectrometry experiments, the spectra relating peak intensity to the mass-to-charge of the ions is used to identify the peptides in a sample. However, multiple factors influence the spectra profile. An all-encompassing model that describes tandem mass spectra intensity and can offer insights into the factors that influence ion intensity was developed and applied to 61,543 mouse peptides. Several factors had a significant association with the intensity of ions formed. Among these factors are: the type of ions formed after the fragmentation of peptides, the residue content of the fragmenting peptide, proton mobility, neutral mass loss and peptide-ion charge combination. The results from our model support the precise prediction and realistic simulation of mass spectra and augment the understanding of the factors influencing ion intensity in mass spectrometry experiments.",
keywords = "ion charge, ion intensity, ion type, proton mobility, tandem mass spectrometry",
author = "Z. Fazal and Southey, {B. R.} and A. Sadeque and Sweedler, {J. V.} and Rodriguez-Zas, {S. L.}",
year = "2011",
month = "12",
day = "1",
doi = "10.1109/BIBMW.2011.6112534",
language = "English (US)",
isbn = "9781457716133",
series = "2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011",
pages = "994--996",
booktitle = "2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011",

}

TY - GEN

T1 - Model of ion intensity from tandem mass spectra for improved peptide identification and simulation

AU - Fazal, Z.

AU - Southey, B. R.

AU - Sadeque, A.

AU - Sweedler, J. V.

AU - Rodriguez-Zas, S. L.

PY - 2011/12/1

Y1 - 2011/12/1

N2 - In tandem mass spectrometry experiments, the spectra relating peak intensity to the mass-to-charge of the ions is used to identify the peptides in a sample. However, multiple factors influence the spectra profile. An all-encompassing model that describes tandem mass spectra intensity and can offer insights into the factors that influence ion intensity was developed and applied to 61,543 mouse peptides. Several factors had a significant association with the intensity of ions formed. Among these factors are: the type of ions formed after the fragmentation of peptides, the residue content of the fragmenting peptide, proton mobility, neutral mass loss and peptide-ion charge combination. The results from our model support the precise prediction and realistic simulation of mass spectra and augment the understanding of the factors influencing ion intensity in mass spectrometry experiments.

AB - In tandem mass spectrometry experiments, the spectra relating peak intensity to the mass-to-charge of the ions is used to identify the peptides in a sample. However, multiple factors influence the spectra profile. An all-encompassing model that describes tandem mass spectra intensity and can offer insights into the factors that influence ion intensity was developed and applied to 61,543 mouse peptides. Several factors had a significant association with the intensity of ions formed. Among these factors are: the type of ions formed after the fragmentation of peptides, the residue content of the fragmenting peptide, proton mobility, neutral mass loss and peptide-ion charge combination. The results from our model support the precise prediction and realistic simulation of mass spectra and augment the understanding of the factors influencing ion intensity in mass spectrometry experiments.

KW - ion charge

KW - ion intensity

KW - ion type

KW - proton mobility

KW - tandem mass spectrometry

UR - http://www.scopus.com/inward/record.url?scp=84856024090&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84856024090&partnerID=8YFLogxK

U2 - 10.1109/BIBMW.2011.6112534

DO - 10.1109/BIBMW.2011.6112534

M3 - Conference contribution

AN - SCOPUS:84856024090

SN - 9781457716133

T3 - 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011

SP - 994

EP - 996

BT - 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2011

ER -