Dataset

Fluconazole; LC-ESI-QTOF; MS2; 110 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094596 contains the MS2 mass spectrum of Fluconazole with the InChIkey RFHAOTPXVQNOHP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
SMILES OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F
InChI Key RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula C13H12F2N6O
Exact Mass 306.104 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094596
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Author
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MetadataPublished 2023-11-09
Related Molecule
  • 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00196 drugbank
    CHEBI:46081 chebi
    TPF rcsb_pdb
    CHEMBL106 chembl
    29360276 surechembl
    3151 surechembl
    3365 pubchem
    8VZV102JFY fdasrs
    TPF pdbe
    PD000782 probes_and_drugs
    IVUQOF CCDC
    106065 brenda
    127066 brenda
    1579 brenda
    49056 brenda
    HMDB0014342 hmdb
    Molport-000-883-859 molport
    1187 drugcentral
    25817 bindingdb
    The data in this table is sourced from UniChem at EBI.