Dataset

1,5-dihydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA002303 contains the MS2 mass spectrum of 1,5-dihydroxyanthraquinone with the InChIkey JPICKYUTICNNNJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
SMILES O=C2c1c(cccc1O)C(=O)c3c2cccc3O
InChI Key JPICKYUTICNNNJ-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-UFZ-UA002303
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Maintainer
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MetadataPublished 2014-06-24
Related Molecule
  • 1,5-dihydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8328 PubChem
    15366601 PubChem: Thomson Pharma
    117-12-4 ACToR
    SCHEMBL187843 SureChEMBL
    499285 eMolecules
    MCULE-1289124194 Mcule
    30100964 NMRShiftDB
    ZINC000003875803 ZINC
    112991 Brenda
    CB9317976 ChemicalBook
    DTXSID8051594 EPA CompTox Dashboard
    112171 Brenda
    DHANTQ CCDC
    J2.906H Nikkaji
    KPB60W5S3M FDA SRS
    37501 ChEBI
    CHEMBL55761 ChEMBL
    The data in this table is sourced from UniChem at EBI.