Dataset

O-HYDROXYACETOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006334 contains the MS mass spectrum of O-HYDROXYACETOPHENONE with the InChIkey JECYUBVRTQDVAT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
SMILES CC(=O)c(c1)c(O)ccc1
InChI Key JECYUBVRTQDVAT-UHFFFAOYSA-N
Molecular Formula C8H8O2
Exact Mass 136.052 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-JP006334
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-(2-hydroxyphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL40865 SureChEMBL
    75842 Brenda
    DTXSID7040285 EPA CompTox Dashboard
    J5.308B Nikkaji
    145716 ChEBI
    CHEMBL3187012 ChEMBL
    HY-Y1426 MedChemExpress
    2'-HYDROXYACETOPHENONE rxnorm
    ZINC000001699884 ZINC
    14867292 PubChem: Thomson Pharma
    PD087971 ProbesDrugs
    3E533Z76W0 FDA SRS
    118-93-4 ACToR
    519084 eMolecules
    HMDB0032568 Human Metabolome Database
    CB5421761 ChemicalBook
    50140214 BindingDB
    CB8421762 ChemicalBook
    MCULE-6901537094 Mcule
    8375 PubChem
    10008796 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.