Dataset

Resorcinol bis(diphenyl phosphate); LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014106 contains the MS2 mass spectrum of Resorcinol bis(diphenyl phosphate) with the InChIkey OWICEWMBIBPFAH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H
SMILES C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
InChI Key OWICEWMBIBPFAH-UHFFFAOYSA-N
Molecular Formula C30H24O8P2
Exact Mass 574.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014106
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • (3-diphenoxyphosphoryloxyphenyl) diphenyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J42.300I Nikkaji
    DTXSID8069197 EPA CompTox Dashboard
    ZINC000095704269 ZINC
    CB8855422 ChemicalBook
    16091203 PubChem: Thomson Pharma
    57583-54-7 ACToR
    156929-96-3 ACToR
    SCHEMBL78015 SureChEMBL
    93311 PubChem
    The data in this table is sourced from UniChem at EBI.