Dataset

ALPHA,ALPHA-DIMETHOXYTOLUENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010326 contains the MS mass spectrum of ALPHA,ALPHA-DIMETHOXYTOLUENE 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-JP010326
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
    CHEBI:179257 chebi
    26689 surechembl
    62375 pubchem
    W6T83K35CA fdasrs
    HMDB0041326 hmdb
    Molport-001-767-904 molport
    The data in this table is sourced from UniChem at EBI.