Dataset

Phosphatidylethanolamine 16:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 22.25; Exp: 2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001843 contains the MS2 mass spectrum of Phosphatidylethanolamine 16:0-20:3 with the InChIkey FOZMADPVSAYPHH-PNECARMWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h18-19,22,24,28,30,39H,3-17,20-21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b19-18-,24-22-,30-28-
SMILES C(CCCCCCCCC)=CCC=CCC=CCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCCN)=O
InChI Key FOZMADPVSAYPHH-PNECARMWSA-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-UT001843
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MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (4Z,7Z,10Z)-icosa-4,7,10-trienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134730359 PubChem
    The data in this table is sourced from UniChem at EBI.