Dataset

DIBENZOTHIOPHENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002145 contains the MS mass spectrum of DIBENZOTHIOPHENE with the InChIkey IYYZUPMFVPLQIF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
SMILES c(c3)cc(s1)c(c3)c(c2)c(ccc2)1
InChI Key IYYZUPMFVPLQIF-UHFFFAOYSA-N
Molecular Formula C12H8S
Exact Mass 184.035 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-JP002145
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dibenzothiophene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD002384 ProbesDrugs
    Z3D4AJ1R48 FDA SRS
    3023 PubChem
    SCHEMBL13294 SureChEMBL
    15265700 PubChem: Thomson Pharma
    132-65-0 ACToR
    499035 eMolecules
    83R PDBe
    23681 Rhea
    CB7426957 ChemicalBook
    21830 Brenda
    10016272 NMRShiftDB
    MCULE-2582244078 Mcule
    50240000 BindingDB
    HY-B0973 MedChemExpress
    DTXSID0047741 EPA CompTox Dashboard
    DBZTHP CCDC
    J2.523B Nikkaji
    HMDB0251165 Human Metabolome Database
    ZINC000001482032 ZINC
    23681 ChEBI
    CHEMBL219828 ChEMBL
    The data in this table is sourced from UniChem at EBI.