Dataset

Tetramethylene glycol dimethacrylate; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU507209 contains the MS2 mass spectrum of Tetramethylene glycol dimethacrylate with the InChIkey XOJWAAUYNWGQAU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
SMILES CC(=C)C(=O)OCCCCOC(=O)C(=C)C
InChI Key XOJWAAUYNWGQAU-UHFFFAOYSA-N
Molecular Formula C12H18O4
Exact Mass 226.120 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-AU507209
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MetadataPublished 2021-04-20
Related Molecule
  • 4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    490565 eMolecules
    16387 PubChem
    2082-81-7 ACToR
    15172270 PubChem: Thomson Pharma
    148390-75-4 ACToR
    KX6732HE0U FDA SRS
    38684-65-0 ACToR
    SCHEMBL25426 SureChEMBL
    CB8418016 ChemicalBook
    ZINC000002038921 ZINC
    CHEMBL3184875 ChEMBL
    J112.782I Nikkaji
    DTXSID4044870 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.