Dataset

Dibutyl phthalate; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF418002 contains the MS2 mass spectrum of Dibutyl phthalate with the InChIkey DOIRQSBPFJWKBE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChI Key DOIRQSBPFJWKBE-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-UFZ-UF418002
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MetadataPublished 2017-01-05
Related Molecule
  • dibutyl benzene-1,2-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13716 drugbank
    DB7 rcsb_pdb
    CHEMBL272485 chembl
    24051 surechembl
    29353340 surechembl
    3026 pubchem
    2286E5R2KE fdasrs
    6295 gtopdb
    PD002548 probes_and_drugs
    18433 brenda
    221945 brenda
    26534 brenda
    HMDB0033244 hmdb
    50855569 bindingdb
    50855571 bindingdb
    Molport-003-665-474 molport
    4414 drugcentral
    The data in this table is sourced from UniChem at EBI.