Dataset

Phosphatidylethanolamine alkenyl 18:0-24:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 42.29; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001427 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 18:0-24:4 with the InChIkey LAUMCRQBKCWQHU-NKPKNEKKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C47H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h21-22,24-25,28,30,34,36,39,42,46H,3-20,23,26-27,29,31-33,35,37-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b22-21-,25-24-,30-28-,36-34-,42-39+
SMILES C(CCCCCCCCCCCCCCC)C=COCC(OC(=O)CCC=CCC=CCC=CCC=CCCCCCCCCCC)COP(OCCN)(O)=O
InChI Key LAUMCRQBKCWQHU-NKPKNEKKSA-N
Molecular Formula C47H86NO7P
Exact Mass 807.614 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-UT001427
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MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-octadec-1-enoxy]propan-2-yl] (4Z,7Z,10Z,13Z)-tetracosa-4,7,10,13-tetraenoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134745840 PubChem
    The data in this table is sourced from UniChem at EBI.