Dataset

Isavuconazole

This MassBank record with Accession MSBNK-Eawag-EQ01098804 contains the MS2 mass spectrum of Isavuconazole with the InChIkey DDFOUSQFMYRUQK-UHFFFAOYSA-N.

Chemical Info

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-EQ01098804
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:53:37.317530
MetadataModified 2025-02-09T09:53:37.508528
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
21937662 PubChem
HMDB0253593 Human Metabolome Database
J1.846.760G Nikkaji
SCHEMBL939036 SureChEMBL
PD065470 ProbesDrugs
The data in this table is sourced from UniChem at EBI.