Dataset

1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA002501 contains the MS2 mass spectrum of 1-Hydroxyanthraquinone with the InChIkey BTLXPCBPYBNQNR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
SMILES c1ccc2c(c1)C(=O)c1c(C2=O)c(ccc1)O
InChI Key BTLXPCBPYBNQNR-UHFFFAOYSA-N
Molecular Formula C14H8O3
Exact Mass 224.047 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-UFZ-UA002501
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MetadataPublished 2014-06-24
Related Molecule
  • 1-hydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C02980 KEGG Ligand
    CHEMBL501834 ChEMBL
    28877 ChEBI
    CB6677576 ChemicalBook
    DTXSID1020722 EPA CompTox Dashboard
    JUNBIF CCDC
    HMDB0243898 Human Metabolome Database
    HY-W000838 MedChemExpress
    J53.422F Nikkaji
    50025501 BindingDB
    MCULE-6359940891 Mcule
    LFU129OE9H FDA SRS
    10018366 NMRShiftDB
    ZINC000003875850 ZINC
    97708 Brenda
    102823 Brenda
    42913 Brenda
    8512 PubChem
    PD133665 ProbesDrugs
    15936504 PubChem: Thomson Pharma
    129-43-1 ACToR
    SCHEMBL145303 SureChEMBL
    2331226 eMolecules
    The data in this table is sourced from UniChem at EBI.