Dataset

1,8,9-Anthracenetriol; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003006 contains the MS2 mass spectrum of 1,8,9-Anthracenetriol with the InChIkey YUTJCNNFTOIOGT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
SMILES C1(=C(C2=C(C3=C(C(=C(C(=C3[H])[H])[H])O[H])C(=C2C(=C1[H])O[H])O[H])[H])[H])[H]
InChI Key YUTJCNNFTOIOGT-UHFFFAOYSA-N
Molecular Formula C14H10O3
Exact Mass 226.063 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-BS003006
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • anthracene-1,8,9-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000100014431 ZINC
    PD013795 ProbesDrugs
    SCHEMBL3198 SureChEMBL
    10187 PubChem
    14773698 PubChem: Thomson Pharma
    480-22-8 ACToR
    2724713 eMolecules
    2756 ChEBI
    CHEMBL1579066 ChEMBL
    HMDB0244253 Human Metabolome Database
    J5.223J Nikkaji
    50065 BindingDB
    DTXSID7026231 EPA CompTox Dashboard
    CB3368709 ChemicalBook
    The data in this table is sourced from UniChem at EBI.