Dataset

2-AZACYCLOOCTANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010411 contains the MS mass spectrum of 2-AZACYCLOOCTANONE with the InChIkey CJYXCQLOZNIMFP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
SMILES O=C(C1)NCCCCC1
InChI Key CJYXCQLOZNIMFP-UHFFFAOYSA-N
Molecular Formula C7H13NO
Exact Mass 127.100 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-JP010411
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • azocan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12657 PubChem
    16569179 PubChem: Thomson Pharma
    SCHEMBL454341 SureChEMBL
    673-66-5 ACToR
    530177 eMolecules
    CB1746367 ChemicalBook
    10009005 NMRShiftDB
    CHEMBL136211 ChEMBL
    DTXSID60217672 EPA CompTox Dashboard
    ZINC000001708361 ZINC
    ENANOL CCDC
    J64.513C Nikkaji
    The data in this table is sourced from UniChem at EBI.