LC-MS and GC-MS data 'can be organised'

Researchers have been working on ways to improve the organisation of data yielded from liquid chromatography and gas chromatography-mass spectrometry (LC-MS and GC-MS) studies.

The Journal of Cheminformatics, a periodical devoted to research into molecular modelling, carries the findings of their study into the creation of QUICS, an analysis method named for its ability to Quantify Individual Components in a Sample.

QUICS was created by a team working at Metabolon, a diagnostic products company based in Durham, North Carolina.

Their process incorporates simultaneous analysis of multiple samples, allowing non-covariance and biological diversity to be taken into account.

According to the scientists, effective analysis of LC-MS and GC-MS data requires the availability of comprehensive libraries and the ability to create new reference records from metabolites identified in a study that were previously unknown.

Their QUICS method shows the ability to do this, not only identifying all known and unknown metabolites in experimental data rapidly, but also creating library entries for the unknown metabolites for future reference.