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
Version
Author
Maintainer
Language
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
    31288 PubChem
    124-17-4 ACToR
    16070097 PubChem: Thomson Pharma
    497470 eMolecules
    CB6308191 ChemicalBook
    SCHEMBL48354 SureChEMBL
    20096926 NMRShiftDB
    U6UTS77LXB FDA SRS
    CHEMBL1892052 ChEMBL
    ZINC000001680748 ZINC
    DTXSID9027021 EPA CompTox Dashboard
    J39.184K Nikkaji
    The data in this table is sourced from UniChem at EBI.