Dataset

Diniconazole

This MassBank record with Accession MSBNK-Eawag-EQ01123207 contains the MS2 mass spectrum of Diniconazole with the InChIkey FBOUIAKEJMZPQG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3
SMILES CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
InChI Key FBOUIAKEJMZPQG-UHFFFAOYSA-N
Molecular Formula C15H17Cl2N3O
Exact Mass 325.075 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-EQ01123207
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:08:53.331991
MetadataModified 2025-02-09T09:57:21.295606
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91738 PubChem
HMDB0251416 Human Metabolome Database
DTXSID10273920 EPA CompTox Dashboard
PD075658 ProbesDrugs
SCHEMBL21286 SureChEMBL
The data in this table is sourced from UniChem at EBI.