Dataset

1-Aminoanthraquinone; LC-APCI-ITFT; MS2; CE:35;

This MassBank record with Accession MSBNK-CASMI_2012-SMI00101 contains the MS2 mass spectrum of 1-Aminoanthraquinone with the InChIkey KHUFHLFHOQVFGB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N
InChI Key KHUFHLFHOQVFGB-UHFFFAOYSA-N
Molecular Formula C14H9NO2
Exact Mass 223.063 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-CASMI_2012-SMI00101
Version
Author
Maintainer
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MetadataPublished 2012-08-31
Related Molecule
  • 1-aminoanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL88502 chembl
    26348 surechembl
    29701006 surechembl
    6710 pubchem
    N5YYY1NEUI fdasrs
    PD179451 probes_and_drugs
    BOSMOM CCDC
    135932 brenda
    49642 brenda
    Molport-000-845-726 molport
    50094891 bindingdb
    The data in this table is sourced from UniChem at EBI.