Dataset

2',6'-DIHYDROXYACETOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010715 contains the MS mass spectrum of 2',6'-DIHYDROXYACETOPHENONE with the InChIkey YPTJKHVBDCRKNF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
SMILES CC(=O)c(c(O)1)c(O)ccc1
InChI Key YPTJKHVBDCRKNF-UHFFFAOYSA-N
Molecular Formula C8H8O3
Exact Mass 152.047 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-JP010715
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-(2,6-dihydroxyphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:173644 chebi
    9EQ rcsb_pdb
    CHEMBL454739 chembl
    105807 surechembl
    69687 pubchem
    88BO51G3Y2 fdasrs
    PD158440 probes_and_drugs
    WAKHEW CCDC
    71295 brenda
    9EQ pdbe
    HMDB0029660 hmdb
    Molport-000-154-541 molport
    50249071 bindingdb
    The data in this table is sourced from UniChem at EBI.