Dataset

Propiconazole

This MassBank record with Accession MSBNK-UFZ-UF403502 contains the MS2 mass spectrum of Propiconazole with the InChIkey STJLVHWMYQXCPB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
SMILES CCCC1COC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl
InChI Key STJLVHWMYQXCPB-UHFFFAOYSA-N
Molecular Formula C15H17Cl2N3O2
Exact Mass 341.070 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF403502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:02:15.640222
MetadataModified 2025-02-09T19:50:36.492450
MetadataPublished 2017-01-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
142KW8TBSR FDA SRS
HY-B0847 MedChemExpress
50295562 BindingDB
HMDB0256825 Human Metabolome Database
J18.426H Nikkaji
DTXSID8024280 EPA CompTox Dashboard
C11121 KEGG Ligand
CHEMBL560579 ChEMBL
8489 ChEBI
510159 eMolecules
43234 PubChem
14778057 PubChem: Thomson Pharma
SCHEMBL21081 SureChEMBL
60207-90-1 ACToR
PD080615 ProbesDrugs
10759 Brenda
CB0403173 ChemicalBook
MCULE-6014167945 Mcule
The data in this table is sourced from UniChem at EBI.