Dataset

Phosphatidylethanolamine alkenyl 16:0-20:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 31.37; Exp: 2

This MassBank record with Accession MSBNK-Chubu_Univ-UT002145 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 16:0-20:2 with the InChIkey NDDBMPXGHSKRHS-CZAAGYDRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h22,24,28,30,33,36,40H,3-21,23,25-27,29,31-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b24-22-,30-28-,36-33+
SMILES C(=COCC(OC(CCC=CCC=CCCCCCCCCCCCC)=O)COP(O)(=O)OCCN)CCCCCCCCCCCCCC
InChI Key NDDBMPXGHSKRHS-CZAAGYDRSA-N
Molecular Formula C41H78NO7P
Exact Mass 727.552 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002145
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MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-hexadec-1-enoxy]propan-2-yl] (4Z,7Z)-icosa-4,7-dienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134751850 PubChem
    The data in this table is sourced from UniChem at EBI.