Dataset

DIBENZOFURAN; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001595 contains the MS mass spectrum of DIBENZOFURAN with the InChIkey TXCDCPKCNAJMEE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
SMILES c(c3)cc(o1)c(c3)c(c2)c(ccc2)1
InChI Key TXCDCPKCNAJMEE-UHFFFAOYSA-N
Molecular Formula C12H8O
Exact Mass 168.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001595
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dibenzofuran
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL277497 ChEMBL
    C07729 KEGG Ligand
    28145 ChEBI
    1IT PDBe
    13277 Brenda
    DTXSID2021993 EPA CompTox Dashboard
    DBZFUR CCDC
    HMDB0251164 Human Metabolome Database
    J2.522D Nikkaji
    50408362 BindingDB
    15339646 PubChem: Thomson Pharma
    SCHEMBL8207 SureChEMBL
    132-64-9 ACToR
    8U54U639VI FDA SRS
    490003 eMolecules
    48985 Brenda
    ZINC000003861058 ZINC
    CB0338385 ChemicalBook
    28145 Rhea
    568 PubChem
    10008777 NMRShiftDB
    MCULE-9430669072 Mcule
    The data in this table is sourced from UniChem at EBI.