Dataset

Benzophenone-8; LC-ESI-QTOF; MS2; CE: 20.0V; [M+H]+

This MassBank record with Accession MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00152 contains the MS2 mass spectrum of Benzophenone-8 with the InChIkey MEZZCSHVIGVWFI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3
SMILES COc1ccc(c(c1)O)C(=O)c2ccccc2O
InChI Key MEZZCSHVIGVWFI-UHFFFAOYSA-N
Molecular Formula C14H12O4
Exact Mass 244.074 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-Env_Anal_Chem_U_Tuebingen-TUE00152
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MetadataPublished 2015-11-27
Related Molecule
  • (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5191699 ChemicalBook
    174810 Brenda
    DB11221 DrugBank
    MCULE-2204733956 Mcule
    SCHEMBL15894 SureChEMBL
    497544 eMolecules
    PD002366 ProbesDrugs
    B762XZ551X FDA SRS
    15246160 PubChem: Thomson Pharma
    131-53-3 ACToR
    LSM-2493 LINCS
    CHEMBL1326877 ChEMBL
    C14283 KEGG Ligand
    EVOJIJ CCDC
    ZINC000000037293 ZINC
    J5.560C Nikkaji
    DTXSID3022403 EPA CompTox Dashboard
    HMDB0251439 Human Metabolome Database
    HY-B0966 MedChemExpress
    3159 DrugCentral
    DIOXYBENZONE rxnorm
    34208 ChEBI
    8569 PubChem
    The data in this table is sourced from UniChem at EBI.