Dataset

Benzophenone-2; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107311 contains the MS2 mass spectrum of Benzophenone-2 with the InChIkey WXNRYSGJLQFHBR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
SMILES Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O
InChI Key WXNRYSGJLQFHBR-UHFFFAOYSA-N
Molecular Formula C13H10O5
Exact Mass 246.053 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107311
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • bis(2,4-dihydroxyphenyl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    594685 eMolecules
    15221080 PubChem: Thomson Pharma
    131-55-5 ACToR
    MCULE-4186572897 Mcule
    8571 PubChem
    20096888 NMRShiftDB
    SCHEMBL39507 SureChEMBL
    CB6344256 ChemicalBook
    15045 Brenda
    143359 Brenda
    234390 BindingDB
    PRR8K3H9VN FDA SRS
    27M PDBe
    DTXSID5041306 EPA CompTox Dashboard
    ZINC000000039103 ZINC
    BENZOPHENONE-2 rxnorm
    BADVIL CCDC
    HMDB0244537 Human Metabolome Database
    CHEMBL3185091 ChEMBL
    J39.680J Nikkaji
    The data in this table is sourced from UniChem at EBI.