Dataset

Octhilinone; LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016046 contains the MS2 mass spectrum of Octhilinone with the InChIkey JPMIIZHYYWMHDT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
SMILES CCCCCCCCN1C(=O)C=CS1
InChI Key JPMIIZHYYWMHDT-UHFFFAOYSA-N
Molecular Formula C11H19NOS
Exact Mass 213.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016046
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-octyl-1,2-thiazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3221648 ChemicalBook
    27413 Brenda
    81936 ChEBI
    4LFS24GD0V FDA SRS
    26530-20-1 ACToR
    33528 PubChem
    15165317 PubChem: Thomson Pharma
    122667-23-6 ACToR
    SCHEMBL15648 SureChEMBL
    27523046 eMolecules
    510824 eMolecules
    DTXSID1025805 EPA CompTox Dashboard
    66023 BindingDB
    ZINC000002012904 ZINC
    J10.439F Nikkaji
    CHEMBL1562104 ChEMBL
    C18752 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.