Dataset

2,2-DIMETHOXYPROPANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001475 contains the MS mass spectrum of 2,2-DIMETHOXYPROPANE with the InChIkey HEWZVZIVELJPQZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
SMILES COC(C)(C)OC
InChI Key HEWZVZIVELJPQZ-UHFFFAOYSA-N
Molecular Formula C5H12O2
Exact Mass 104.084 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-JP001475
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2,2-dimethoxypropane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB9373512 ChemicalBook
    ZINC000000402867 ZINC
    DTXSID7026441 EPA CompTox Dashboard
    474504 eMolecules
    66P41R0030 FDA SRS
    77-76-9 ACToR
    6495 PubChem
    15170490 PubChem: Thomson Pharma
    HMDB0245331 Human Metabolome Database
    CHEMBL3184215 ChEMBL
    MCULE-2997403120 Mcule
    10016726 NMRShiftDB
    SCHEMBL49039 SureChEMBL
    J35.930K Nikkaji
    The data in this table is sourced from UniChem at EBI.