Dataset

Ipconazole; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU091105 contains the MS2 mass spectrum of Ipconazole with the InChIkey QTYCMDBMOLSEAM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
SMILES CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1
InChI Key QTYCMDBMOLSEAM-UHFFFAOYSA-N
Molecular Formula C18H24ClN3O
Exact Mass 333.161 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-LCSB-LU091105
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MetadataPublished 2020-08-19
Related Molecule
  • 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81770 chebi
    CHEMBL3185422 chembl
    21696 surechembl
    86211 pubchem
    Molport-047-917-477 molport
    The data in this table is sourced from UniChem at EBI.