Dataset

1-octadecanoyl-sn-glycero-3-phosphocholine; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105916_2347 contains the MS2 mass spectrum of 1-octadecanoyl-sn-glycero-3-phosphocholine with the InChIkey IHNKQIMGVNPMTC-RUZDIDTESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI Key IHNKQIMGVNPMTC-RUZDIDTESA-N
Molecular Formula C26H54NO7P
Exact Mass 523.364 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105916_2347
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MetadataPublished 2022-04-07
Related Molecule
  • [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.