Dataset

Benzophenone-3; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU275805 contains the MS2 mass spectrum of Benzophenone-3 with the InChIkey DXGLGDHPHMLXJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
SMILES COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1
InChI Key DXGLGDHPHMLXJC-UHFFFAOYSA-N
Molecular Formula C14H12O3
Exact Mass 228.079 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-Athens_Univ-AU275805
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MetadataPublished 2019-05-30
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    CB9276251 ChemicalBook
    HMDB0015497 Human Metabolome Database
    20112359 NMRShiftDB
    MCULE-2222013605 Mcule
    34283 ChEBI
    14868117 PubChem: Thomson Pharma
    4632 PubChem
    PD001821 ProbesDrugs
    95OOS7VE0Y FDA SRS
    PA164742933 PharmGKB
    LSM-3309 LINCS
    131-57-7 ACToR
    SCHEMBL15551 SureChEMBL
    483860 eMolecules
    C14285 KEGG Ligand
    CHEMBL1625 ChEMBL
    DB01428 DrugBank
    OXYBENZONE clinicaltrials
    HY-A0067 MedChemExpress
    50253134 BindingDB
    ZINC000000136138 ZINC
    J5.562J Nikkaji
    OXYBENZONE rxnorm
    OXYBENZONE DailyMed
    HMXBZP CCDC
    DTXSID3022405 EPA CompTox Dashboard
    3412 DrugCentral
    The data in this table is sourced from UniChem at EBI.