Dataset

4-Hydroxytamoxifen; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU271603 contains the MS2 mass spectrum of 4-Hydroxytamoxifen with the InChIkey TXUZVZSFRXZGTL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3
SMILES CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
InChI Key TXUZVZSFRXZGTL-UHFFFAOYSA-N
Molecular Formula C26H29NO2
Exact Mass 387.220 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-Athens_Univ-AU271603
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
Related Molecule
  • 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    63062 PubChem
    92076 ChEBI
    DTXSID3037094 EPA CompTox Dashboard
    HMDB0248042 Human Metabolome Database
    CHEMBL2137046 ChEMBL
    68392-35-8 ACToR
    PD017818 ProbesDrugs
    SCHEMBL2132301 SureChEMBL
    The data in this table is sourced from UniChem at EBI.