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
Y1 - 2011
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 - https://www.scopus.com/pages/publications/84856024090
UR - https://www.scopus.com/pages/publications/84856024090#tab=citedBy
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
T2 - 2011 IEEE International Conference onBioinformatics and Biomedicine Workshops, BIBMW 2011
Y2 - 12 November 2011 through 15 November 2011
ER -