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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Maintainer
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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
    CHEBI:81796 chebi
    CHEMBL1874081 chembl
    18961 surechembl
    29353036 surechembl
    19402 pubchem
    34Y6E0063Y fdasrs
    10089 brenda
    HMDB0250120 hmdb
    The data in this table is sourced from UniChem at EBI.