Dataset

DI-N-HEXYL ETHER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003923 contains the MS mass spectrum of DI-N-HEXYL ETHER with the InChIkey BPIUIOXAFBGMNB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
SMILES CCCCCCOCCCCCC
InChI Key BPIUIOXAFBGMNB-UHFFFAOYSA-N
Molecular Formula C12H26O
Exact Mass 186.198 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-JP003923
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-hexoxyhexane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL66247 SureChEMBL
    20096797 NMRShiftDB
    HMDB0251286 Human Metabolome Database
    J1.996H Nikkaji
    MCULE-3976538682 Mcule
    DTXSID8059421 EPA CompTox Dashboard
    ZINC000001699898 ZINC
    W1U07QA435 FDA SRS
    15219777 PubChem: Thomson Pharma
    8198 PubChem
    477217 eMolecules
    112-58-3 ACToR
    CB5360873 ChemicalBook
    The data in this table is sourced from UniChem at EBI.