Dataset

Atrazine-desethyl-2-hydroxy

This MassBank record with Accession MSBNK-Athens_Univ-AU202303 contains the MS2 mass spectrum of Atrazine-desethyl-2-hydroxy with the InChIkey GCKLGRUZDXSATG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)
SMILES CC(C)/N=c\1/[nH]c(=N)nc([nH]1)O
InChI Key GCKLGRUZDXSATG-UHFFFAOYSA-N
Molecular Formula C6H11N5O
Exact Mass 169.096 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-AU202303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:54.308823
MetadataModified 2025-02-08T18:59:13.873536
MetadataPublished 2015-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL3194672 SureChEMBL
509852 eMolecules
19988-24-0 ACToR
ZINC000013542453 ZINC
DTXSID80173802 EPA CompTox Dashboard
102207 Brenda
MTBLC83463 Metabolights
118310 Brenda
83463 ChEBI
J113.314D Nikkaji
104558 Brenda
CB5412583 ChemicalBook
135510207 PubChem
69525 Brenda
The data in this table is sourced from UniChem at EBI.