"Retention projection" enables reliable use of shared gas chromatographic retention data across laboratories, instruments, and methods.

ABSTRACT: Gas chromatography/mass spectrometry (GC/MS) is a primary tool used to identify compounds in complex samples. Both mass spectra and GC retention times are matched to those of standards; however, it is often impractical to have standards on hand for every compound of interest, so we must rely on shared databases of MS data and GC retention information. Unfortunately, retention databases (e.g., linear retention index libraries) are experimentally restrictive, notoriously unreliable, and strongly instrument dependent, relegating GC retention information to a minor, often negligible role in compound identification despite its potential power. A new methodology called "retention projection" has great potential to overcome the limitations of shared chromatographic databases. In this work, we tes

SUBMITTER: Barnes BB 

PROVIDER: S-EPMC3962126 | biostudies-literature | 2013 Dec

REPOSITORIES: biostudies-literature