Dataset

Phosphatidylethanolamine 16:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.93; Exp: 3

This MassBank record with Accession MSBNK-Chubu_Univ-UT002577 contains the MS2 mass spectrum of Phosphatidylethanolamine 16:0-22:4 with the InChIkey WRJMLLZQXDAGES-ASOJYNRJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,30,32,41H,3-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b18-17-,21-20-,26-24-,32-30-
SMILES OP(=O)(OCCN)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCCCCCCCC
InChI Key WRJMLLZQXDAGES-ASOJYNRJSA-N
Molecular Formula C43H78NO8P
Exact Mass 767.547 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-UT002577
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-docosa-4,7,10,13-tetraenoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134776843 PubChem
    The data in this table is sourced from UniChem at EBI.