Dataset

Dipropyleneglycol-dibenzoate; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113002 contains the MS2 mass spectrum of Dipropyleneglycol-dibenzoate with the InChIkey IZYUWBATGXUSIK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
SMILES CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1
InChI Key IZYUWBATGXUSIK-UHFFFAOYSA-N
Molecular Formula C20H22O5
Exact Mass 342.147 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-Antwerp_Univ-AN113002
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MetadataPublished 2021-08-05
Related Molecule
  • 1-(2-benzoyloxypropoxy)propan-2-yl benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1877406 ChEMBL
    CB1192113 ChemicalBook
    101560 PubChem
    9QQI0RSO3H FDA SRS
    J155.941I Nikkaji
    DTXSID6027921 EPA CompTox Dashboard
    94-03-1 ACToR
    SCHEMBL1255193 SureChEMBL
    The data in this table is sourced from UniChem at EBI.