Dataset

1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027571 contains the MS2 mass spectrum of 1,4-Dihydroxyanthraquinone 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 C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027571
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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.