Dataset

Diclobutrazol

This MassBank record with Accession MSBNK-Eawag-EQ01122904 contains the MS2 mass spectrum of Diclobutrazol with the InChIkey URDNHJIVMYZFRT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
SMILES CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
InChI Key URDNHJIVMYZFRT-UHFFFAOYSA-N
Molecular Formula C15H19Cl2N3O
Exact Mass 327.091 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-EQ01122904
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:08:55.423971
MetadataModified 2025-02-09T09:46:18.876470
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1553129 ChEMBL
C11235 KEGG Ligand
4506 ChEBI
J286.770B Nikkaji
HMDB0251205 Human Metabolome Database
SCHEMBL21654 SureChEMBL
75736-33-3 ACToR
53309 PubChem
75432-64-3 ACToR
15445837 PubChem: Thomson Pharma
66345-62-8 ACToR
501668 eMolecules
The data in this table is sourced from UniChem at EBI.