Dataset

Primuliten; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82002 contains the MS mass spectrum of Primuliten with the InChIkey IYBLVRRCNVHZQJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3O
InChI Key IYBLVRRCNVHZQJ-UHFFFAOYSA-N
Molecular Formula C15H10O3
Exact Mass 238.063 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-Washington_State_Univ-BML82002
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-hydroxy-2-phenylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:172638 chebi
    LMPK12110099 lipidmaps
    CHEMBL16807 chembl
    158303 surechembl
    30630415 surechembl
    68112 pubchem
    378AE9MHL3 fdasrs
    PD001456 probes_and_drugs
    KEJBAC CCDC
    271906 brenda
    7498 brenda
    Molport-001-742-466 molport
    50049385 bindingdb
    The data in this table is sourced from UniChem at EBI.