Dataset

3,4-TETRAMETHYLENEPYRAZOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000474 contains the MS mass spectrum of 3,4-TETRAMETHYLENEPYRAZOLE with the InChIkey GDSQTWDUCDSZEY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
SMILES C1CCC2=C(C1)C=NN2
InChI Key GDSQTWDUCDSZEY-UHFFFAOYSA-N
Molecular Formula C7H10N2
Exact Mass 122.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000474
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4,5,6,7-tetrahydro-1H-indazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL10509 SureChEMBL
    MCULE-3266087688 Mcule
    ZINC000008078164 ZINC
    2327486 eMolecules
    508848 eMolecules
    2305-79-5 ACToR
    16312133 PubChem: Thomson Pharma
    75317 PubChem
    CHEMBL1817866 ChEMBL
    J108.828I Nikkaji
    CB2173777 ChemicalBook
    J47.415K Nikkaji
    DTXSID50177615 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.