Dataset

Anthraquinone; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01132706 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-EQ01132706
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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
    PD001384 ProbesDrugs
    030MS0JBDO FDA SRS
    LSM-19969 LINCS
    90530-46-4 ACToR
    84-65-1 ACToR
    790240-52-7 ACToR
    15438863 PubChem: Thomson Pharma
    6780 PubChem
    478057 eMolecules
    MCULE-4655011423 Mcule
    40448 ChEBI
    10015932 NMRShiftDB
    SCHEMBL14943 SureChEMBL
    ZINC000003847491 ZINC
    175471 Brenda
    16780 Brenda
    135951 Brenda
    CB5420557 ChemicalBook
    CHEMBL55659 ChEMBL
    C16207 KEGG Ligand
    9TA PDBe
    J294A Nikkaji
    HMDB0248468 Human Metabolome Database
    ANTQUO CCDC
    50094892 BindingDB
    9,10-ANTHRAQUINONE rxnorm
    HY-N0354 MedChemExpress
    DTXSID3020095 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.