Dataset

Monoethyl phthalate; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF420554 contains the MS2 mass spectrum of Monoethyl phthalate with the InChIkey YWWHKOHZGJFMIE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
SMILES CCOC(=O)C1=CC=CC=C1C(O)=O
InChI Key YWWHKOHZGJFMIE-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.058 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-UF420554
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MetadataPublished 2017-01-05
Related Molecule
  • 2-ethoxycarbonylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:70973 chebi
    A1D6Y rcsb_pdb
    29628800 surechembl
    50234 surechembl
    75318 pubchem
    NKH4WF48DS fdasrs
    PD199406 probes_and_drugs
    149567 brenda
    233979 brenda
    247470 brenda
    A1D6Y pdbe
    HMDB0002120 hmdb
    DTXSID3052696 comptox
    Molport-002-371-061 molport
    The data in this table is sourced from UniChem at EBI.