Dataset

2-Ethylhexyl diphenyl phosphate; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118516 contains the MS2 mass spectrum of 2-Ethylhexyl diphenyl phosphate with the InChIkey CGSLYBDCEGBZCG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
SMILES CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI Key CGSLYBDCEGBZCG-UHFFFAOYSA-N
Molecular Formula C20H27O4P
Exact Mass 362.165 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118516
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MetadataPublished 2021-09-04
Related Molecule
  • 2-ethylhexyl diphenyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:188855 chebi
    CHEMBL2105213 chembl
    93483 surechembl
    14716 pubchem
    4F53Z6NE1Y fdasrs
    PD202566 probes_and_drugs
    225946 brenda
    HMDB0245120 hmdb
    Molport-005-932-542 molport
    The data in this table is sourced from UniChem at EBI.