Dataset

Triallyl trimellitate; ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000959 contains the MS2 mass spectrum of Triallyl trimellitate with the InChIkey GRPURDFRFHUDSP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2
SMILES C=CCOC(=O)C1=CC=C(C=C1C(=O)OCC=C)C(=O)OCC=C
InChI Key GRPURDFRFHUDSP-UHFFFAOYSA-N
Molecular Formula C18H18O6
Exact Mass 330.110 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-EPA-ENTACT_AGILENT000959
Version
Author
Maintainer
Language
MetadataPublished 2023-05-02
Related Molecule
  • tris(prop-2-enyl) benzene-1,2,4-tricarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3185572 chembl
    29376657 surechembl
    48751 surechembl
    75903 pubchem
    4MJD3RL023 fdasrs
    Molport-004-960-176 molport
    The data in this table is sourced from UniChem at EBI.