Dataset

Chlorophacinone; LC-ESI-Q; MS; NEG; 90 V

This MassBank record with Accession MSBNK-Waters-WA002784 contains the MS mass spectrum of Chlorophacinone with the InChIkey UDHXJZHVNHGCEC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
SMILES Clc(c4)ccc(c4)C(c(c3)cccc3)C(=O)C(C(=O)1)C(=O)c(c2)c(ccc2)1
InChI Key UDHXJZHVNHGCEC-UHFFFAOYSA-N
Molecular Formula C23H15ClO3
Exact Mass 374.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002784
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19402 PubChem
    15424503 PubChem: Thomson Pharma
    3691-35-8 ACToR
    509654 eMolecules
    10089 Brenda
    SCHEMBL18961 SureChEMBL
    J3.056B Nikkaji
    HMDB0250120 Human Metabolome Database
    34Y6E0063Y FDA SRS
    81796 ChEBI
    DTXSID2032348 EPA CompTox Dashboard
    CHEMBL1874081 ChEMBL
    C18514 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.