Dataset

Chlorophene; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF423053 contains the MS2 mass spectrum of Chlorophene with the InChIkey NCKMMSIFQUPKCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
SMILES OC1=CC=C(Cl)C=C1CC1=CC=CC=C1
InChI Key NCKMMSIFQUPKCK-UHFFFAOYSA-N
Molecular Formula C13H11ClO
Exact Mass 218.050 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-UFZ-UF423053
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MetadataPublished 2017-01-05
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    J39.614A Nikkaji
    CLOROPHENE rxnorm
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    120-32-1 ACToR
    SCHEMBL78119 SureChEMBL
    7560BB0BO3 FDA SRS
    519767 eMolecules
    MCULE-8594187019 Mcule
    20200952 NMRShiftDB
    CB3150762 ChemicalBook
    The data in this table is sourced from UniChem at EBI.