Dataset

Spirodiclofen-enol; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027186 contains the MS2 mass spectrum of Spirodiclofen-enol with the InChIkey KIKARNYYJSEROI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14Cl2O3/c16-9-4-5-10(11(17)8-9)12-13(18)15(20-14(12)19)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7H2
SMILES C1CCC2(CC1)C(=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl)O
InChI Key KIKARNYYJSEROI-UHFFFAOYSA-N
Molecular Formula C15H14Cl2O3
Exact Mass 312.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027186
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Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 3-(2,4-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SUKBOQ CCDC
    DTXSID30894959 EPA CompTox Dashboard
    Y7IB840UY2 FDA SRS
    SCHEMBL18958948 SureChEMBL
    CB02494632 ChemicalBook
    99352673 PubChem: Thomson Pharma
    54719923 PubChem
    The data in this table is sourced from UniChem at EBI.