Dataset

Dicloran

This MassBank record with Accession MSBNK-Eawag-EQ01134903 contains the MS2 mass spectrum of Dicloran with the InChIkey BIXZHMJUSMUDOQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
SMILES C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
InChI Key BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Molecular Formula C6H4Cl2N2O2
Exact Mass 205.965 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-EQ01134903
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:44:55.750680
MetadataModified 2025-02-09T10:10:52.788274
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15195660 PubChem: Thomson Pharma
7430 PubChem
F0BE9UC5J7 FDA SRS
SCHEMBL229362 SureChEMBL
81859-29-2 ACToR
99-30-9 ACToR
58916-70-4 ACToR
27864 ChEBI
500729 eMolecules
ZINC000003860353 ZINC
CB9854765 ChemicalBook
20044837 NMRShiftDB
MCULE-6716999854 Mcule
C11000 KEGG Ligand
CHEMBL504381 ChEMBL
DICLORAN rxnorm
HMDB0245510 Human Metabolome Database
DTXSID2020426 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.