Dataset

Phosphatidylethanolamine 18:0-18:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.54; Exp: 2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001863 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:0-18:3 with the InChIkey LXDJYUCSACQJRW-FQQNHZGCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,22,24,28,30,39H,3-15,17,19-21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b18-16-,24-22-,30-28-
SMILES C(CCCCCCCCCCCCCC)CCC(OCC(OC(CCC=CCC=CCC=CCCCCCCC)=O)COP(O)(=O)OCCN)=O
InChI Key LXDJYUCSACQJRW-FQQNHZGCSA-N
Molecular Formula C41H76NO8P
Exact Mass 741.531 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-UT001863
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z)-octadeca-4,7,10-trienoyl]oxypropyl] octadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134748365 PubChem
    The data in this table is sourced from UniChem at EBI.