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
    CHEBI:2756 chebi
    CHEMBL1579066 chembl
    3198 surechembl
    10187 pubchem
    PD013795 probes_and_drugs
    HMDB0244253 hmdb
    Molport-005-933-608 molport
    50065 bindingdb
    The data in this table is sourced from UniChem at EBI.