Dataset

Desisopropylatrazine

This MassBank record with Accession MSBNK-Athens_Univ-AU253906 contains the MS2 mass spectrum of Desisopropylatrazine with the InChIkey IVENSCMCQBJAKW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
SMILES CCNC1=NC(Cl)=NC(N)=N1
InChI Key IVENSCMCQBJAKW-UHFFFAOYSA-N
Molecular Formula C5H8ClN5
Exact Mass 173.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU253906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:06.270064
MetadataModified 2025-02-08T19:11:06.247480
MetadataPublished 2019-05-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1425806 SureChEMBL
14843180 PubChem: Thomson Pharma
E8EGZ3S34H FDA SRS
1007-28-9 ACToR
60027774 NMRShiftDB
ZINC000000896276 ZINC
MTBLC27399 Metabolights
J1.756F Nikkaji
HMDB0250961 Human Metabolome Database
DTXSID0037495 EPA CompTox Dashboard
CB9439157 ChemicalBook
13878 PubChem
501420 eMolecules
27399 ChEBI
CHEMBL1895845 ChEMBL
C06556 KEGG Ligand
The data in this table is sourced from UniChem at EBI.