Lipid Data Analyzer: Discrimination of structurally isomeric pairs of lipid standards (Control experiment 3)

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 LC-MS/MS experiments, structural isomers within one MS1 peak frequently occur. In this experiment, structural isomeric pairs from PC, PE, PG, PS and TG are mixed in one sample at various concentrations. The algorithm appropriately assigning the respective structural isomers is demonstrated.

Control experiment 1 assays for this study can be found in the MetaboLights study MTBLS394.
Control experiment 2 assays for this study can be found in the MetaboLights study MTBLS391.
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: MTBLS391 MTBLS394 MTBLS396 MTBLS397 MTBLS462

INSTRUMENT(S): Orbitrap velos CID positive 5to1 (Thermo Scientific), Orbitrap velos HCD positive 5to1 (Thermo Scientific), SYNAPT G1 HDMS positive 5to1 (Waters), SYNAPT G1 HDMS negative 1to5 (Waters), QTRAP 4000 positive 20to1 (AB Sciex), Orbitrap velos CID positive 1to1 (Thermo Scientific), SYNAPT G1 HDMS negative 1to1 (Waters), Orbitrap velos CID positive 20to1 (Thermo Scientific), Orbitrap velos CID negative 1to5 (Thermo Scientific), Orbitrap velos HCD positive 1to1 (Thermo Scientific), SYNAPT G1 HDMS negative 1to20 (Waters), Orbitrap velos HCD positive 20to1 (Thermo Scientific), SYNAPT G1 HDMS negative 5to1 (Waters), Orbitrap velos HCD negative 20to1 (Thermo Scientific), SYNAPT G1 HDMS positive 20to1 (Waters), QTRAP 4000 positive 5to1 (AB Sciex), Orbitrap velos CID negative 20to1 (Thermo Scientific), QTRAP 4000 negative 20to1 (AB Sciex), QTRAP 4000 negative 5to1 (AB Sciex), QTRAP 4000 negative 1to20 (AB Sciex), Orbitrap velos HCD positive 1to20 (Thermo Scientific), Orbitrap velos CID negative 5to1 (Thermo Scientific), SYNAPT G1 HDMS positive 1to5 (Waters), QTRAP 4000 positive 1to5 (AB Sciex), QTRAP 4000 positive 1to20 (AB Sciex), Orbitrap velos HCD negative 5to1 (Thermo Scientific), QTRAP 4000 negative 1to5 (AB Sciex), QTRAP 4000 positive 1to1 (AB Sciex), QTRAP 4000 negative 1to1 (AB Sciex), Orbitrap velos HCD positive 1to5 (Thermo Scientific), SYNAPT G1 HDMS negative 20to1 (Waters), Orbitrap velos HCD negative 1to20 (Thermo Scientific), Orbitrap velos HCD negative 1to1 (Thermo Scientific), Orbitrap velos HCD negative 1to5 (Thermo Scientific), Orbitrap velos CID negative 1to1 (Thermo Scientific), SYNAPT G1 HDMS positive 1to20 (Waters), Orbitrap velos CID positive 1to5 (Thermo Scientific), Orbitrap velos CID positive 1to20 (Thermo Scientific), SYNAPT G1 HDMS positive 1to1 (Waters), Orbitrap velos CID negative 1to20 (Thermo Scientific)

SUBMITTER: Juergen Hartler 

PROVIDER: MTBLS398 | MetaboLights | 2017-11-07

REPOSITORIES: MetaboLights