Lipid Data Analyzer: Discrimination of isobaric pairs of lipid standards from different lipid subclasses (Control experiment 2)

ABSTRACT: Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2) provides automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry using embedded rule sets. Using various low- and high-resolution mass spectrometry instruments with several collision energies, the method's platform independence is proved. The software's reliability, flexibility, and ability to identify novel lipid molecular species may now render current state-of-the-art lipid libraries obsolete.

In lipidomics, overlaps of species from isobars from other subclasses/adducts frequently occur. In this experiment, isobars from PC and PE, and from LPC and LPE are mixed in one sample. The LC-method was made worse, so that these species generated overlapping peaks. In this experiment, the LDA's propensity to detect and seperate such species was tested.

Control experiment 1 assays for this study can be found in the MetaboLights study MTBLS394.
Control experiment 3 assays for this study can be found in the MetaboLights study MTBLS398.
Murine liver lipidome experiment assays for this study can be found in the MetaboLights study MTBLS396.
LipidBlast benchmarking assays for this study can be found in the MetaboLights study MTBLS397.
HCD characterization and regioisomer detection assays for this study can be found in the MetaboLights study MTBLS462.

Linked Studies: MTBLS394 MTBLS396 MTBLS397 MTBLS398 MTBLS462

INSTRUMENT(S): SYNAPT G1 HDMS (Waters), Orbitrap velos HCD (Thermo Scientific), QTRAP 4000 (AB Sciex), Orbitrap velos CID (Thermo Scientific)

SUBMITTER: Juergen Hartler 

PROVIDER: MTBLS391 | MetaboLights | 2017-10-27

REPOSITORIES: MetaboLights