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LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome

ABSTRACT: Lipid identification is a major bottleneck in high-throughput lipidomics studies. We combined the in silico fragmentation tool MetFrag with LipidMaps lipid-class specific classifiers which calculate probabilities for lipid class assignments. The LipidFrag approach was then applied to MS/MS spectra of lipid extracts of the nematode Caenorhabditis elegans.

OTHER RELATED OMICS DATASETS IN: PXD009709

INSTRUMENT(S): maXis (Bruker)

SUBMITTER: Michael Witting Christoph Ruttkies Steffen Neumann

PROVIDER: MTBLS291 | MetaboLights | 2017-03-09

REPOSITORIES: MetaboLights

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Metabolomic Profiling of Submaximal Exercise at a Standardised Relative Intensity in Healthy Adults.

Muhsen Ali Ali A Burleigh Mia M Daskalaki Evangelia E Zhang Tong T Easton Chris C Watson David G DG

Metabolites 20160226 1

Ten physically active subjects underwent two cycling exercise trials. In the first, aerobic capacity (VO2max) was determined and the second was a 45 min submaximal exercise test. Urine samples were collected separately the day before (day 1) , the day of (day 2), and the day after (day 3) the submaximal exercise test (12 samples per subject). Metabolomic profiling of the samples was carried out using hydrophilic interaction chromatography (HILIC) coupled to an Orbitrap Exactive mass spectrometer ...[more]

PMID: 26927198

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