Dataset

Monobenzyl phthalate; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF420403 contains the MS2 mass spectrum of Monobenzyl phthalate with the InChIkey XIKIUQUXDNHBFR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
SMILES OC(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1
InChI Key XIKIUQUXDNHBFR-UHFFFAOYSA-N
Molecular Formula C15H12O4
Exact Mass 256.074 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-UF420403
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 2-phenylmethoxycarbonylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:132612 chebi
    CHEMBL1466083 chembl
    116566 surechembl
    29687907 surechembl
    31736 pubchem
    27NM8BNV1K fdasrs
    PD065580 probes_and_drugs
    247467 brenda
    HMDB0061744 hmdb
    Molport-000-519-097 molport
    The data in this table is sourced from UniChem at EBI.