Dataset

Vinclozolin

This MassBank record with Accession MSBNK-Eawag-EQ00311904 contains the MS2 mass spectrum of Vinclozolin with the InChIkey FSCWZHGZWWDELK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
SMILES CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
InChI Key FSCWZHGZWWDELK-UHFFFAOYSA-N
Molecular Formula C12H9Cl2NO3
Exact Mass 284.996 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-EQ00311904
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:58.042671
MetadataModified 2025-02-09T09:46:58.253792
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL513221 ChEMBL
C10981 KEGG Ligand
JJ258EZN1I FDA SRS
J1.897J Nikkaji
190080 Brenda
83732 ChEBI
HMDB0259811 Human Metabolome Database
DTXSID4022361 EPA CompTox Dashboard
CB8108814 ChemicalBook
39676 PubChem
MCULE-2071869001 Mcule
SCHEMBL21851 SureChEMBL
PD015620 ProbesDrugs
14893538 PubChem: Thomson Pharma
50471-44-8 ACToR
510313 eMolecules
The data in this table is sourced from UniChem at EBI.