Dataset

Atrazine-desethyl-desisopropyl

This MassBank record with Accession MSBNK-Eawag-EQ339307 contains the MS2 mass spectrum of Atrazine-desethyl-desisopropyl with the InChIkey FVFVNNKYKYZTJU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
SMILES C1(=NC(=NC(=N1)Cl)N)N
InChI Key FVFVNNKYKYZTJU-UHFFFAOYSA-N
Molecular Formula C3H4ClN5
Exact Mass 145.016 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-EQ339307
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:45:13.201491
MetadataModified 2025-02-09T09:57:07.310605
MetadataPublished 2021-03-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J80.717F Nikkaji
ZUDTAV CCDC
HMDB0246174 Human Metabolome Database
CB3365076 ChemicalBook
DTXSID1037806 EPA CompTox Dashboard
CHEMBL1872965 ChEMBL
27726 ChEBI
C06560 KEGG Ligand
18831 PubChem
3397-62-4 ACToR
SCHEMBL197055 SureChEMBL
14769424 PubChem: Thomson Pharma
PD065576 ProbesDrugs
501494 eMolecules
KVZ1HMR84L FDA SRS
MCULE-1150667750 Mcule
215633 Brenda
ZINC000000896288 ZINC
The data in this table is sourced from UniChem at EBI.