Dataset

1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 20; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000722 contains the MS2 mass spectrum of 1,4-Dihydroxyanthracene-9,10-dione with the InChIkey GUEIZVNYDFNHJU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
SMILES OC1=CC=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
Exact Mass 240.042 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-EPA-ENTACT_AGILENT000722
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Maintainer
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MetadataPublished 2023-05-02
Related Molecule
  • 1,4-dihydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28095 Brenda
    11244 Brenda
    ZINC000003847495 ZINC
    15943 Brenda
    CB7730041 ChemicalBook
    MCULE-3130863142 Mcule
    30100965 NMRShiftDB
    502467 eMolecules
    6688 PubChem
    PD000118 ProbesDrugs
    CB6968380 ChemicalBook
    15121901 PubChem: Thomson Pharma
    81-64-1 ACToR
    SCHEMBL160038 SureChEMBL
    103220-12-8 ACToR
    8S496ZV3CS FDA SRS
    DHXANT CCDC
    HMDB0257042 Human Metabolome Database
    J3.861J Nikkaji
    DTXSID8044464 EPA CompTox Dashboard
    HY-D0226 MedChemExpress
    50240382 BindingDB
    CHEMBL17594 ChEMBL
    37487 ChEBI
    The data in this table is sourced from UniChem at EBI.