Dataset

Cyromazine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU302110 contains the MS2 mass spectrum of Cyromazine with the InChIkey LVQDKIWDGQRHTE-UHFFFAOYSA-N.

Chemical Information

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 C1CC1Nc2nc(nc(n2)N)N
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-AU302110
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MetadataPublished 2016-02-26
Related Molecule
  • 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine
    • 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.