Dataset

ACETALDEHYDE DIBUTYL ACETAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008604 contains the MS mass spectrum of ACETALDEHYDE DIBUTYL ACETAL with the InChIkey SWTCCCJQNPGXLQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3
SMILES CCCCOC(C)OCCCC
InChI Key SWTCCCJQNPGXLQ-UHFFFAOYSA-N
Molecular Formula C10H22O2
Exact Mass 174.162 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-JP008604
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(1-butoxyethoxy)butane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    79117 PubChem
    SCHEMBL115527 SureChEMBL
    15195072 PubChem: Thomson Pharma
    871-22-7 ACToR
    60019304 NMRShiftDB
    551404 eMolecules
    ZINC000001680840 ZINC
    DTXSID00236125 EPA CompTox Dashboard
    MCULE-9835180544 Mcule
    CB1892510 ChemicalBook
    J33.408A Nikkaji
    The data in this table is sourced from UniChem at EBI.