Dataset

Fluconazole; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA056725AF82PH 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)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
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-UFZ-WANA056725AF82PH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-13
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
    DTXSID3020627 comptox
    NCT00000676 clinicaltrials
    NCT00000776 clinicaltrials
    NCT00000788 clinicaltrials
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    NCT00000951 clinicaltrials
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    NCT00003883 clinicaltrials
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    NCT00056368 clinicaltrials
    NCT00075803 clinicaltrials
    NCT00145249 clinicaltrials
    NCT00163111 clinicaltrials
    NCT00166166 clinicaltrials
    NCT00170430 clinicaltrials
    NCT00189709 clinicaltrials
    NCT00304772 clinicaltrials
    NCT00313131 clinicaltrials
    NCT00353561 clinicaltrials
    NCT00423267 clinicaltrials
    NCT00496197 clinicaltrials
    NCT00503542 clinicaltrials
    NCT00537888 clinicaltrials
    NCT00553137 clinicaltrials
    NCT00645242 clinicaltrials
    NCT00666185 clinicaltrials
    NCT00689338 clinicaltrials
    NCT00734539 clinicaltrials
    NCT00761267 clinicaltrials
    NCT00797420 clinicaltrials
    NCT00811928 clinicaltrials
    NCT00841971 clinicaltrials
    NCT00860275 clinicaltrials
    NCT00885703 clinicaltrials
    NCT00911235 clinicaltrials
    NCT00935363 clinicaltrials
    NCT00964106 clinicaltrials
    NCT01026714 clinicaltrials
    NCT01058174 clinicaltrials
    NCT01153724 clinicaltrials
    NCT01169402 clinicaltrials
    NCT01176058 clinicaltrials
    NCT01307579 clinicaltrials
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    NCT01511757 clinicaltrials
    NCT01511770 clinicaltrials
    NCT01524081 clinicaltrials
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    NCT01562132 clinicaltrials
    NCT01683760 clinicaltrials
    NCT01715922 clinicaltrials
    NCT01772290 clinicaltrials
    NCT01806623 clinicaltrials
    NCT01825031 clinicaltrials
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    NCT02122770 clinicaltrials
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    NCT02180100 clinicaltrials
    NCT02180828 clinicaltrials
    NCT02181946 clinicaltrials
    NCT02195466 clinicaltrials
    NCT02222922 clinicaltrials
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    NCT02275975 clinicaltrials
    NCT02325011 clinicaltrials
    NCT02532192 clinicaltrials
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    NCT02730442 clinicaltrials
    NCT02733432 clinicaltrials
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    NCT02765256 clinicaltrials
    NCT02809768 clinicaltrials
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    NCT03002012 clinicaltrials
    NCT03028103 clinicaltrials
    NCT03036046 clinicaltrials
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    NCT03135106 clinicaltrials
    NCT03159845 clinicaltrials
    NCT03253094 clinicaltrials
    NCT03451110 clinicaltrials
    NCT03476317 clinicaltrials
    NCT03610945 clinicaltrials
    NCT03667690 clinicaltrials
    NCT03840616 clinicaltrials
    NCT03929861 clinicaltrials
    NCT03945448 clinicaltrials
    NCT04038008 clinicaltrials
    NCT04122560 clinicaltrials
    NCT04193319 clinicaltrials
    NCT04201054 clinicaltrials
    NCT04368559 clinicaltrials
    NCT04464577 clinicaltrials
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    NCT04502277 clinicaltrials
    NCT04551963 clinicaltrials
    NCT04626258 clinicaltrials
    NCT04702464 clinicaltrials
    NCT04734405 clinicaltrials
    NCT04850651 clinicaltrials
    NCT04871724 clinicaltrials
    NCT04930107 clinicaltrials
    NCT04933682 clinicaltrials
    NCT04956419 clinicaltrials
    NCT05059145 clinicaltrials
    NCT05074602 clinicaltrials
    NCT05076409 clinicaltrials
    NCT05140096 clinicaltrials
    NCT05147727 clinicaltrials
    NCT05176379 clinicaltrials
    NCT05178862 clinicaltrials
    NCT05367089 clinicaltrials
    NCT05421858 clinicaltrials
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    NCT05657613 clinicaltrials
    NCT05661591 clinicaltrials
    NCT05848492 clinicaltrials
    NCT05862714 clinicaltrials
    NCT06274554 clinicaltrials
    NCT06345794 clinicaltrials
    Molport-000-883-859 molport
    1187 drugcentral
    25817 bindingdb
    The data in this table is sourced from UniChem at EBI.