Dataset

Butyl 2-ethylhexyl phthalate; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01110603 contains the MS2 mass spectrum of Butyl 2-ethylhexyl phthalate with the InChIkey AVOLBYOSCILFLL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI Key AVOLBYOSCILFLL-UHFFFAOYSA-N
Molecular Formula C20H30O4
Exact Mass 334.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01110603
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MetadataPublished 2024-06-14
Related Molecule
  • 1-O-butyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:191077 chebi
    CHEMBL3188746 chembl
    231235 surechembl
    6818 pubchem
    40AV6S4MYV fdasrs
    The data in this table is sourced from UniChem at EBI.