Dataset

Phosphatidylethanolamine 17:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.05; Exp: 3

This MassBank record with Accession MSBNK-Chubu_Univ-UT002839 contains the MS2 mass spectrum of Phosphatidylethanolamine 17:0-20:4 with the InChIkey LUNHOOJLWJQRDB-VTJLAKARSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C42H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h13,15,19-20,23,25,29,31,40H,3-12,14,16-18,21-22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b15-13-,20-19-,25-23-,31-29-
SMILES OP(=O)(OCCN)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCCCCCC
InChI Key LUNHOOJLWJQRDB-VTJLAKARSA-N
Molecular Formula C42H76NO8P
Exact Mass 753.531 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-UT002839
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134748042 PubChem
    The data in this table is sourced from UniChem at EBI.