Dataset

Triphenylphosphate; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF417554 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-UFZ-UF417554
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • triphenyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C14235 KEGG Ligand
    CHEMBL454511 ChEMBL
    35033 ChEBI
    J2.469D Nikkaji
    DTXSID1021952 EPA CompTox Dashboard
    ZINC000001688738 ZINC
    TPHEPO CCDC
    HMDB0259262 Human Metabolome Database
    MCULE-9737362370 Mcule
    CB9233809 ChemicalBook
    103700 Brenda
    8289 PubChem
    YZE19Z66EA FDA SRS
    14752955 PubChem: Thomson Pharma
    115-86-6 ACToR
    SCHEMBL18116 SureChEMBL
    478025 eMolecules
    The data in this table is sourced from UniChem at EBI.