Dataset

Diethylene glycol monobutyl ether acetate; GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU502905 contains the MS2 mass spectrum of Diethylene glycol monobutyl ether acetate with the InChIkey VXQBJTKSVGFQOL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
SMILES CCCCOCCOCCOC(=O)C
InChI Key VXQBJTKSVGFQOL-UHFFFAOYSA-N
Molecular Formula C10H20O4
Exact Mass 204.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502905
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MetadataPublished 2021-04-20
Related Molecule
  • 2-(2-butoxyethoxy)ethyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1892052 chembl
    48354 surechembl
    31288 pubchem
    U6UTS77LXB fdasrs
    Molport-003-930-011 molport
    The data in this table is sourced from UniChem at EBI.