Dataset

Imibenconazole

This MassBank record with Accession MSBNK-Eawag-EQ01137354 contains the MS2 mass spectrum of Imibenconazole with the InChIkey AGKSTYPVMZODRV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
SMILES C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl
InChI Key AGKSTYPVMZODRV-UHFFFAOYSA-N
Molecular Formula C17H13Cl3N4S
Exact Mass 409.993 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-EQ01137354
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:46:04.355263
MetadataModified 2025-02-09T10:08:21.720018
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31216613 eMolecules
93483 PubChem
KQY333M0BE FDA SRS
SCHEMBL22900 SureChEMBL
81767 ChEBI
ZINC000255962058 ZINC
DTXSID7058204 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.