Dataset

1,2-Dioleoyl-sn-glycero-3-phosphocholine; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107531_D0B8 contains the MS2 mass spectrum of 1,2-Dioleoyl-sn-glycero-3-phosphocholine with the InChIkey SNKAWJBJQDLSFF-NVKMUCNASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI Key SNKAWJBJQDLSFF-NVKMUCNASA-N
Molecular Formula C44H84NO8P
Exact Mass 785.593 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107531_D0B8
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MetadataPublished 2022-04-09
Related Molecule
  • [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL24888 SureChEMBL
    15361793 PubChem: Thomson Pharma
    74669 ChEBI
    H026DM5V6U FDA SRS
    60023761 NMRShiftDB
    PD019005 ProbesDrugs
    LMGP01010890 LipidMaps
    74669 Rhea
    7767 Brenda
    MTBLC74669 Metabolights
    HMDB0000593 Human Metabolome Database
    HY-113424A MedChemExpress
    1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE rxnorm
    SLM:000000798 SwissLipids
    CB0773823 ChemicalBook
    26751205 eMolecules
    10350317 PubChem
    The data in this table is sourced from UniChem at EBI.