Dataset

Phosphatidylethanolamine 22:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 44.54; Exp: 3

This MassBank record with Accession MSBNK-Chubu_Univ-UT002631 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:0-18:2 with the InChIkey JTIHPLOLGGYHEZ-XJKRCVSZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h26,28,32,34,43H,3-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b28-26-,34-32-
SMILES C(CCCCCC(OCC(COP(OCCN)(O)=O)OC(CCC=CCC=CCCCCCCCCCC)=O)=O)CCCCCCCCCCCCCCC
InChI Key JTIHPLOLGGYHEZ-XJKRCVSZSA-N
Molecular Formula C45H86NO8P
Exact Mass 799.609 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-UT002631
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MetadataPublished 2016-01-19
Related Molecule
  • [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropyl] docosanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134742305 PubChem
    The data in this table is sourced from UniChem at EBI.