Dataset

Cyromazine

This MassBank record with Accession MSBNK-Athens_Univ-AU262506 contains the MS2 mass spectrum of Cyromazine with the InChIkey LVQDKIWDGQRHTE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
SMILES NC1=NC(NC2CC2)=NC(N)=N1
InChI Key LVQDKIWDGQRHTE-UHFFFAOYSA-N
Molecular Formula C6H10N6
Exact Mass 166.097 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-AU262506
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:51:19.568201
MetadataModified 2025-02-08T19:04:30.149575
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15041754 PubChem: Thomson Pharma
47866 PubChem
PD000677 ProbesDrugs
cyromazine Selleck
SCHEMBL27231 SureChEMBL
66215-27-8 ACToR
CA49Y29RA9 FDA SRS
509689 eMolecules
CB2120418 ChemicalBook
MTBLC30260 Metabolights
HMDB0029862 Human Metabolome Database
DTXSID6023999 EPA CompTox Dashboard
ZINC000000001239 ZINC
HY-B1331 MedChemExpress
XEYSUS CCDC
J18.757G Nikkaji
AX3 PDBe
CHEMBL1231107 ChEMBL
C14147 KEGG Ligand
30260 ChEBI
The data in this table is sourced from UniChem at EBI.