Dataset

Anthraquinone; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01132702 contains the MS2 mass spectrum of Anthraquinone with the InChIkey RZVHIXYEVGDQDX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
SMILES C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
InChI Key RZVHIXYEVGDQDX-UHFFFAOYSA-N
Molecular Formula C14H8O2
Exact Mass 208.052 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01132702
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • anthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9TA rcsb_pdb
    CHEMBL55659 chembl
    1376042 surechembl
    14943 surechembl
    29358690 surechembl
    6780 pubchem
    030MS0JBDO fdasrs
    PD001384 probes_and_drugs
    ANTQUO CCDC
    135951 brenda
    16780 brenda
    175471 brenda
    178934 brenda
    9TA - Ideal conformer pdbe
    CHEBI:40448 chebi
    HMDB0248468 hmdb
    50094892 bindingdb
    The data in this table is sourced from UniChem at EBI.