Unknown

Dataset Information

0

Peptide retention prediction using hydrophilic interaction liquid chromatography coupled to mass spectrometry.


ABSTRACT: A model that predicts retention for peptides using a HALO® penta-HILIC column and gradient elution was created. Coefficients for each amino acid were derived using linear regression analysis and these coefficients can be summed to predict the retention of peptides. This model has a high correlation between experimental and predicted retention times (0.946), which is on par with previous RP and HILIC models. External validation of the model was performed using a set of H. pylori samples on the same LC-MS system used to create the model, and the deviation from actual to predicted times was low. Apart from amino acid composition, length and location of amino acid residues on a peptide were examined and two site-specific corrections for hydrophobic residues at the N-terminus as well as hydrophobic residues one spot over from the N-terminus were created.

SUBMITTER: Badgett MJ 

PROVIDER: S-EPMC5805588 | BioStudies | 2018-01-01

REPOSITORIES: biostudies

Similar Datasets

2016-01-01 | S-EPMC4972402 | BioStudies
1000-01-01 | S-EPMC52151 | BioStudies
2006-01-01 | S-EPMC1594940 | BioStudies
2015-01-01 | S-EPMC4626690 | BioStudies
2009-01-01 | S-EPMC2652323 | BioStudies
1000-01-01 | S-EPMC5203826 | BioStudies
2019-01-01 | S-EPMC6435694 | BioStudies
1991-01-01 | S-EPMC1151261 | BioStudies
2013-01-01 | S-EPMC3689993 | BioStudies
1986-01-01 | S-EPMC1147413 | BioStudies