Dataset

Hexazinone

This MassBank record with Accession MSBNK-Athens_Univ-AU260202 contains the MS2 mass spectrum of Hexazinone with the InChIkey CAWXEEYDBZRFPE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
SMILES CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C
InChI Key CAWXEEYDBZRFPE-UHFFFAOYSA-N
Molecular Formula C12H20N4O2
Exact Mass 252.159 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-AU260202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:56:00.238133
MetadataModified 2025-02-08T19:04:21.903023
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
39965 PubChem
14774386 PubChem: Thomson Pharma
51235-04-2 ACToR
SCHEMBL66377 SureChEMBL
Y51727MR1Y FDA SRS
31216689 eMolecules
CB7319547 ChemicalBook
ZINC000000900553 ZINC
CHEMBL2252598 ChEMBL
HMDB0253153 Human Metabolome Database
J11.187B Nikkaji
HY-B1849 MedChemExpress
50487023 BindingDB
DTXSID4024145 EPA CompTox Dashboard
5705 ChEBI
C10926 KEGG Ligand
The data in this table is sourced from UniChem at EBI.