Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification.

ABSTRACT: Despite recent advances in analytical and computational chemistry, lipid identification remains a significant challenge in lipidomics. Ion-mobility spectrometry provides an accurate measure of the molecules' rotationally averaged collision cross-section (CCS) in the gas phase and is thus related to ionic shape. Here, we investigate the use of CCS as a highly specific molecular descriptor for identifying lipids in biological samples. Using traveling wave ion mobility mass spectrometry (MS), we measured the CCS values of over 200 lipids within multiple chemical classes. CCS values derived from ion mobility were not affected by instrument settings or chromatographic conditions, and they were highly reproducible on instruments located in independent laboratories (interlaboratory RSD < 3% for 9

SUBMITTER: Paglia G 

PROVIDER: S-EPMC4302848 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature