Dataset

Tetraconazole

This MassBank record with Accession MSBNK-Eawag-EQ372303 contains the MS2 mass spectrum of Tetraconazole with the InChIkey LQDARGUHUSPFNL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
SMILES C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F
InChI Key LQDARGUHUSPFNL-UHFFFAOYSA-N
Molecular Formula C13H11Cl2F4N3O
Exact Mass 371.022 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-Eawag-EQ372303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:13.401155
MetadataModified 2025-02-09T10:04:31.922941
MetadataPublished 2015-08-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18490 KEGG Ligand
HMDB0258876 Human Metabolome Database
83999 ChEBI
8FGY868T0G FDA SRS
CB9325788 ChemicalBook
DTXSID8034956 EPA CompTox Dashboard
80277 PubChem
CHEMBL2137654 ChEMBL
16815322 PubChem: Thomson Pharma
112281-77-3 ACToR
SCHEMBL36997 SureChEMBL
The data in this table is sourced from UniChem at EBI.