Dataset

2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003108 contains the MS2 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 C(C(=O)C1=C(C(=C(C(=C1O[H])[H])[H])[H])O[H])([H])([H])[H]
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-BS-BS003108
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 1-(2,6-dihydroxyphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71295 Brenda
    HMDB0029660 Human Metabolome Database
    CB9707858 ChemicalBook
    69687 PubChem
    20209859 NMRShiftDB
    MCULE-4595729640 Mcule
    PD158440 ProbesDrugs
    88BO51G3Y2 FDA SRS
    15120176 PubChem: Thomson Pharma
    699-83-2 ACToR
    SCHEMBL105807 SureChEMBL
    476215 eMolecules
    CHEMBL454739 ChEMBL
    WAKHEW CCDC
    9EQ PDBe
    173644 ChEBI
    DTXSID00220185 EPA CompTox Dashboard
    ZINC000000157768 ZINC
    HY-Y0106 MedChemExpress
    50249071 BindingDB
    J141.629D Nikkaji
    The data in this table is sourced from UniChem at EBI.