Dataset

Diisobutyl phthalate; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU506202 contains the MS2 mass spectrum of Diisobutyl phthalate with the InChIkey MGWAVDBGNNKXQV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
SMILES CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChI Key MGWAVDBGNNKXQV-UHFFFAOYSA-N
Molecular Formula C16H22O4
Exact Mass 278.152 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-AU506202
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MetadataPublished 2021-04-20
Related Molecule
  • bis(2-methylpropyl) benzene-1,2-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:79053 chebi
    CHEMBL1370662 chembl
    29387332 surechembl
    42787 surechembl
    6782 pubchem
    IZ67FTN290 fdasrs
    221951 brenda
    HMDB0013835 hmdb
    The data in this table is sourced from UniChem at EBI.