Dataset

Etoxazole

This MassBank record with Accession MSBNK-Eawag-EQ00409204 contains the MS2 mass spectrum of Etoxazole with the InChIkey IXSZQYVWNJNRAL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
SMILES CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
InChI Key IXSZQYVWNJNRAL-UHFFFAOYSA-N
Molecular Formula C21H23F2NO2
Exact Mass 359.170 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-EQ00409204
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:12:17.707718
MetadataModified 2025-02-09T10:12:17.879163
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LBE5H21G6L FDA SRS
SCHEMBL27300 SureChEMBL
153974 PubChem
14852431 PubChem: Thomson Pharma
153233-91-1 ACToR
PD064945 ProbesDrugs
31216874 eMolecules
HMDB0252119 Human Metabolome Database
J723.676J Nikkaji
DTXSID8034586 EPA CompTox Dashboard
CB2488550 ChemicalBook
39329 ChEBI
CHEMBL1881674 ChEMBL
C18495 KEGG Ligand
The data in this table is sourced from UniChem at EBI.