Dataset

Isavuconazole; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01098809 contains the MS2 mass spectrum of Isavuconazole with the InChIkey DDFOUSQFMYRUQK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3
SMILES CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
InChI Key DDFOUSQFMYRUQK-UHFFFAOYSA-N
Molecular Formula C22H17F2N5OS
Exact Mass 437.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01098809
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MetadataPublished 2024-06-14
Related Molecule
  • 4-[2-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    939036 surechembl
    21937662 pubchem
    PD065470 probes_and_drugs
    HMDB0253593 hmdb
    Molport-042-676-288 molport
    The data in this table is sourced from UniChem at EBI.