Dataset

1,2-diheptadecanoyl-sn-glycero-3-phosphocholine; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107432_187B contains the MS2 mass spectrum of 1,2-diheptadecanoyl-sn-glycero-3-phosphocholine with the InChIkey RTWAYAIMWLNAJW-RRHRGVEJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
SMILES CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
InChI Key RTWAYAIMWLNAJW-RRHRGVEJSA-N
Molecular Formula C42H84NO8P
Exact Mass 761.593 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107432_187B
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MetadataPublished 2022-04-09
Related Molecule
  • [(2R)-2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24778784 PubChem
    PD078202 ProbesDrugs
    140861 ChEBI
    SCHEMBL234621 SureChEMBL
    LMGP01010707 LipidMaps
    SLM:000012484 SwissLipids
    The data in this table is sourced from UniChem at EBI.