Dataset

Atrazine-Desethyl

This MassBank record with Accession MSBNK-Athens_Univ-AU301602 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-AU301602
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:20.765817
MetadataModified 2024-01-11T09:42:20.965597
MetadataPublished 2015-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
22563 PubChem
6190-65-4 ACToR
SCHEMBL1425222 SureChEMBL
14891914 PubChem: Thomson Pharma
80004466 NMRShiftDB
CHEMBL3184909 ChEMBL
J285.118K Nikkaji
07PV14BK6X FDA SRS
HMDB0033249 Human Metabolome Database
105889 Brenda
MTBLC28212 Metabolights
DTXSID5037494 EPA CompTox Dashboard
ZINC000000896284 ZINC
CB8719151 ChemicalBook
28212 ChEBI
C06559 KEGG Ligand
501424 eMolecules
The data in this table is sourced from UniChem at EBI.