Prediction of drift time in ion mobility-mass spectrometry based on Peptide molecular weight.
Protein Pept Lett
; 17(9): 1143-7, 2010 Sep.
Article
en En
| MEDLINE
| ID: mdl-20509855
ABSTRACT
A computational model is introduced for predicting peptide drift time in ion mobility-mass spectrometry (IMMS). Each peptide was represented using a numeric descriptor molecular weight. A simple linear regression predictor was constructed for peptides drift time prediction. Three datasets with different charge state assignments were used for the model training and testing. The dataset one contains 212 singly charged peptides, dataset two has 306 doubly charged peptides, and dataset three contains 77 triply charged peptides. Our proposed method achieved a prediction accuracy of 86.3%, 72.6%, and 59.7% for the dataset one, two and three, respectively. Peptide drift time prediction in IMMS will improve the confidence of peptide identifications by limiting the peptide search space during MS/MS database searching and therefore, reducing false discovery rate (FDR) of protein identification.
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Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Péptidos
/
Espectrometría de Masas
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Protein Pept Lett
Asunto de la revista:
BIOQUIMICA
Año:
2010
Tipo del documento:
Article
País de afiliación:
China