Dataset

Fluconazole; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA032808 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(CN1C=NC=N1)(CN2C=NC=N2)C3=C(F)C=C(F)C=C3
InChI Key RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula C13H12F2N6O
Exact Mass 306.104 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-Eawag-EA032808
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MetadataPublished 2014-01-14
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
    No additional information available for this Dataset.