Dataset

Phosphatidylethanolamine 18:3-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 11.45; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001144 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:3-18:2 with the InChIkey HIQJFUWUAGQURV-FOPRJHBCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C41H72NO8P/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/h15,17,21-24,27-30,39H,3-14,16,18-20,25-26,31-38,42H2,1-2H3,(H,45,46)/b17-15-,23-21-,24-22-,29-27-,30-28-
SMILES O(C(CCC=CCC=CCC=CCCCCCCC)=O)CC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(O)(=O)OCCN
InChI Key HIQJFUWUAGQURV-FOPRJHBCSA-N
Molecular Formula C41H72NO8P
Exact Mass 737.500 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-UT001144
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MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z)-octadeca-4,7,10-trienoyl]oxypropan-2-yl] (4Z,7Z)-octadeca-4,7-dienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134735324 PubChem
    The data in this table is sourced from UniChem at EBI.