Dataset

Atrazine-Desethyl

This MassBank record with Accession MSBNK-Athens_Univ-AU301601 contains the MS2 mass spectrum of Atrazine-Desethyl with the InChIkey DFWFIQKMSFGDCQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
SMILES CC(C)NC1=NC(N)=NC(Cl)=N1
InChI Key DFWFIQKMSFGDCQ-UHFFFAOYSA-N
Molecular Formula C6H10ClN5
Exact Mass 187.062 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-Athens_Univ-AU301601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:14:27.553696
MetadataModified 2025-02-08T18:55:13.543995
MetadataPublished 2015-12-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
28212 ChEBI
C06559 KEGG Ligand
J285.118K Nikkaji
CHEMBL3184909 ChEMBL
CB8719151 ChemicalBook
DTXSID5037494 EPA CompTox Dashboard
22563 PubChem
6190-65-4 ACToR
SCHEMBL1425222 SureChEMBL
14891914 PubChem: Thomson Pharma
80004466 NMRShiftDB
501424 eMolecules
HMDB0033249 Human Metabolome Database
105889 Brenda
ZINC000000896284 ZINC
MTBLC28212 Metabolights
07PV14BK6X FDA SRS
The data in this table is sourced from UniChem at EBI.