Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF416103 contains the MS2 mass spectrum of Diethylstilbestrol with the InChIkey RGLYKWWBQGJZGM-ISLYRVAYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
SMILES CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
InChI Key RGLYKWWBQGJZGM-ISLYRVAYSA-N
Molecular Formula C18H20O2
Exact Mass 268.146 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-UF416103
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00255 drugbank
    CHEBI:41922 chebi
    DES rcsb_pdb
    CHEMBL411 chembl
    9223 surechembl
    448537 pubchem
    731DCA35BT fdasrs
    DES pdbe
    PD002375 probes_and_drugs
    ESTILO CCDC
    44833 brenda
    HMDB0302859 hmdb
    Molport-001-785-868 molport
    Molport-005-933-652 molport
    875 drugcentral
    20625 bindingdb
    The data in this table is sourced from UniChem at EBI.