Dataset

Metconazole

This MassBank record with Accession MSBNK-Eawag-EQ00317109 contains the MS2 mass spectrum of Metconazole with the InChIkey XWPZUHJBOLQNMN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
SMILES CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1
InChI Key XWPZUHJBOLQNMN-UHFFFAOYSA-N
Molecular Formula C17H22ClN3O
Exact Mass 319.145 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-EQ00317109
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:33.343921
MetadataModified 2025-02-09T09:54:33.513466
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
502880 eMolecules
86210 PubChem
125116-23-6 ACToR
14826107 PubChem: Thomson Pharma
SCHEMBL21013 SureChEMBL
J676.712E Nikkaji
81773 ChEBI
DTXSID4034497 EPA CompTox Dashboard
CB5332939 ChemicalBook
C18476 KEGG Ligand
CHEMBL1883512 ChEMBL
The data in this table is sourced from UniChem at EBI.