Dataset

Cyclanilide; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

This MassBank record with Accession MSBNK-Waters-WA000203 contains the MS2 mass spectrum of Cyclanilide with the InChIkey GLWWLNJJJCTFMZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
SMILES OC(=O)C(C2)(C2)C(=O)Nc(c1)c(Cl)cc(Cl)c1
InChI Key GLWWLNJJJCTFMZ-UHFFFAOYSA-N
Molecular Formula C11H9Cl2NO3
Exact Mass 272.996 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-WA000203
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000002511855 ZINC
    SCHEMBL119561 SureChEMBL
    17498220 eMolecules
    11097730 PubChem
    E5WZ0SSS5V FDA SRS
    113136-77-9 ACToR
    16169852 PubChem: Thomson Pharma
    CHEMBL1904079 ChEMBL
    CB0400167 ChemicalBook
    J3.180.206G Nikkaji
    148439 ChEBI
    HMDB0250621 Human Metabolome Database
    DTXSID5032600 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.