Dataset

BENZIL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009582 contains the MS mass spectrum of BENZIL with the InChIkey WURBFLDFSFBTLW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
SMILES c(c2)ccc(c2)C(=O)C(=O)c(c1)cccc1
InChI Key WURBFLDFSFBTLW-UHFFFAOYSA-N
Molecular Formula C14H10O2
Exact Mass 210.068 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-JP009582
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,2-diphenylethane-1,2-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    479528 eMolecules
    DTXSID3044380 EPA CompTox Dashboard
    ZINC000001672966 ZINC
    22722 BindingDB
    HMDB0248990 Human Metabolome Database
    BENZIL CCDC
    J5.599I Nikkaji
    CHEMBL189886 ChEMBL
    51507 ChEBI
    MCULE-1752553253 Mcule
    10005895 NMRShiftDB
    S85X61172J FDA SRS
    CB8478221 ChemicalBook
    51507 Rhea
    1673 Brenda
    79775 Brenda
    8651 PubChem
    PD129621 ProbesDrugs
    15463558 PubChem: Thomson Pharma
    SCHEMBL66 SureChEMBL
    134-81-6 ACToR
    The data in this table is sourced from UniChem at EBI.