Dataset

Trimethylolpropane trimethacrylate; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU507709 contains the MS2 mass spectrum of Trimethylolpropane trimethacrylate with the InChIkey OKKRPWIIYQTPQF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3
SMILES CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChI Key OKKRPWIIYQTPQF-UHFFFAOYSA-N
Molecular Formula C18H26O6
Exact Mass 338.173 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU507709
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MetadataPublished 2021-04-20
Related Molecule
  • 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18689 PubChem
    14827057 PubChem: Thomson Pharma
    3290-92-4 ACToR
    102068-89-3 ACToR
    S734UC120F FDA SRS
    491514 eMolecules
    CB3404535 ChemicalBook
    ZINC000004528837 ZINC
    SCHEMBL23636 SureChEMBL
    J64.284C Nikkaji
    DTXSID3027530 EPA CompTox Dashboard
    35029 ChEBI
    CHEMBL1901244 ChEMBL
    C14538 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.