Dataset

1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanol; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N110127_9C9C contains the MS2 mass spectrum of 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanol with the InChIkey PVQVBWDPYRLAQO-MNEVVFTPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C39H73O8P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)45-6-3)35-44-38(40)33-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h13,15,19-20,37H,4-12,14,16-18,21-36H2,1-3H3,(H,42,43)/b15-13+,20-19-/t37-/m1/s1
SMILES O=C(O[C@@H](COP(O)(=O)OCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC/C=C\C\C=C\CCCCC
InChI Key PVQVBWDPYRLAQO-MNEVVFTPSA-N
Molecular Formula C39H73O8P
Exact Mass 700.504 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N110127_9C9C
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MetadataPublished 2022-04-21
Related Molecule
  • [(2R)-1-[ethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12E)-octadeca-9,12-dienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476555 pubchem
    The data in this table is sourced from UniChem at EBI.