Accurate mass searching of individual lipid species candidates from high-resolution mass spectra for shotgun lipidomics.

ABSTRACT:

Rationale

With the increased mass accuracy and resolution in commercialized mass spectrometers, new developments on shotgun lipidomics could be expected with increased speed, dynamic range, and coverage over lipid species and classes. However, we found that the major issue by using high mass accuracy/resolution instruments to search lipid species is the partial overlap between the two-(13) C-atom-containing isotopologue of a species M (i.e., M+2 isotopologue) and the ion of a species with one less double bond than M (assigned here as L). This partial overlap alone could cause a mass shift of the species L to the lower mass end up to 12 ppm around m/z 750 as well as significant peak broadening.

Methods

We developed an approach for accurate mass searching by exploring one of t

SUBMITTER: Wang M 

PROVIDER: S-EPMC4160105 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature