Dataset

Phosphatidylethanolamine alkenyl 18:1-18:1; LC-ESI-ITFT; MS2; [M-H]-; RT: 29.10; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001174 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 18:1-18:1 with the InChIkey IEKMVBFEEDNXGT-WECHNZQXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,33,36,40H,3-26,31-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b29-27-,30-28-,36-33+
SMILES C(OP(OCC(COC=CCC=CCCCCCCCCCCCCC)OC(CCC=CCCCCCCCCCCCCC)=O)(O)=O)CN
InChI Key IEKMVBFEEDNXGT-WECHNZQXSA-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-UT001174
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MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,4Z)-octadeca-1,4-dienoxy]propan-2-yl] (Z)-octadec-4-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134737678 PubChem
    The data in this table is sourced from UniChem at EBI.