Dataset

BENZALDEHYDE DIMETHYL ACETAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008663 contains the MS mass spectrum of BENZALDEHYDE DIMETHYL ACETAL with the InChIkey HEVMDQBCAHEHDY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
SMILES COC(OC)c(c1)cccc1
InChI Key HEVMDQBCAHEHDY-UHFFFAOYSA-N
Molecular Formula C9H12O2
Exact Mass 152.084 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-JP008663
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dimethoxymethylbenzene
  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10008905 NMRShiftDB
    ZINC000000389865 ZINC
    DTXSID5061538 EPA CompTox Dashboard
    J57.881I Nikkaji
    CB7187551 ChemicalBook
    HMDB0041326 Human Metabolome Database
    62375 PubChem
    479260 eMolecules
    15437407 PubChem: Thomson Pharma
    SCHEMBL26689 SureChEMBL
    179257 ChEBI
    W6T83K35CA FDA SRS
    1125-88-8 ACToR
    The data in this table is sourced from UniChem at EBI.