Dataset

Triphenylphosphate; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU246402 contains the MS2 mass spectrum of Triphenylphosphate with the InChIkey XZZNDPSIHUTMOC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
SMILES O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1
InChI Key XZZNDPSIHUTMOC-UHFFFAOYSA-N
Molecular Formula C18H15O4P
Exact Mass 326.071 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-Athens_Univ-AU246402
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MetadataPublished 2019-04-05
Related Molecule
  • triphenyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35033 chebi
    CHEMBL454511 chembl
    18116 surechembl
    8289 pubchem
    PD220238 probes_and_drugs
    TPHEPO CCDC
    103700 brenda
    YZE19Z66EA fdasrs
    HMDB0259262 hmdb
    80028346 nmrshiftdb2
    Molport-002-042-868 molport
    The data in this table is sourced from UniChem at EBI.