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PXD037532-1

PXD037532 is an original dataset announced via ProteomeXchange.

Dataset Summary
TitleImproved Structural Characterization of Glycerophospholipids and Sphingomyelins with Real-Time Library Searching
DescriptionIn mass spectrometry-based lipidomics complex lipid mixtures undergo chromatographic separation, are ionized, and are detected using tandem MS (MSn) to simultaneously quantify and structurally characterize eluting species. The reported structural granularity of these identified lipids is strongly reliant on the analytical techniques leveraged in a study. For example, lipid identifications from traditional collisionally activated data-dependent acquisition experiments are often reported at either species level or molecular species level levels. Structural resolution of reported lipid identifications is routinely enhanced by integrating both positive and negative-mode analyses, requiring two separate runs or polarity switching during a single analysis. MS3+ can further elucidate lipid structure, but the lengthened MS duty cycle can negatively impact analysis depth. Recently functionality has been introduced on several Orbitrap-Tribrid mass spectrometry platforms to identify eluting molecular species on-the-fly. These real-time identifications can be leveraged to trigger downstream tandem MS to improve structural characterization of a specific compound with lessened impacts on analysis depth. Here we describe a novel lipidomics real-time library search (RTLS) approach which utilizes the lipid class of real-time identifications to trigger class-targeted MSn and to improve the structural characterization of phosphotidylcholines, phosphotidylethanolamines, phosphotidylinositols, phosphotidylglycerols, phosphotidylserine, and sphingomyelins in the positive ion mode. Our class-based RTLS method demonstrates improved selectivity compared to current methodology of triggering MSn on the presence of characteristic ions or neutral losses.
HostingRepositoryMassIVE
AnnounceDate2022-10-31
AnnouncementXMLSubmission_2022-10-31_06:47:59.441.xml
DigitalObjectIdentifier
ReviewLevelNon peer-reviewed dataset
DatasetOriginOriginal dataset
RepositorySupportUnsupported dataset by repository
PrimarySubmitterDain Brademan
SpeciesList scientific name: Homo sapiens; common name: human; NCBI TaxID: 9606;
ModificationListNo PTMs are included in the dataset
InstrumentOrbitrap Eclipse
Dataset History
RevisionDatetimeStatusChangeLog Entry
02022-10-18 09:22:02ID requested
12022-10-31 06:47:59announced
Publication List
no publication
Keyword List
submitter keyword: Lipidomics, MSn Trees, RTLS, UltimateSplash
Contact List
Josh J. Coon
contact affiliationUniversity of Wisconsin - Madison
contact emailjcoon@chem.wisc.edu
lab head
Dain Brademan
contact affiliationCoon Laboratory
contact emailbrademan@wisc.edu
dataset submitter
Full Dataset Link List
MassIVE dataset URI
Dataset FTP location
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