Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF411603 contains the MS2 mass spectrum of Diphenhydramine with the InChIkey ZZVUWRFHKOJYTH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
SMILES CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Molecular Formula C17H21NO
Exact Mass 255.162 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-UF411603
Version
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2-benzhydryloxy-N,N-dimethylethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01075 drugbank
    CHEBI:4636 chebi
    2PM rcsb_pdb
    CHEMBL657 chembl
    4064 surechembl
    3100 pubchem
    8GTS82S83M fdasrs
    1224 gtopdb
    PD009823 probes_and_drugs
    FIMTAW CCDC
    155303 brenda
    36366 brenda
    HMDB0001927 hmdb
    154005 bindingdb
    154006 bindingdb
    154150 bindingdb
    154952 bindingdb
    154976 bindingdb
    155001 bindingdb
    155025 bindingdb
    155049 bindingdb
    158063 bindingdb
    158810 bindingdb
    178777 bindingdb
    181787 bindingdb
    181804 bindingdb
    183553 bindingdb
    183554 bindingdb
    183555 bindingdb
    183556 bindingdb
    200519 bindingdb
    273528 bindingdb
    328084 bindingdb
    397193 bindingdb
    397199 bindingdb
    50339133 bindingdb
    50339238 bindingdb
    50339351 bindingdb
    50339529 bindingdb
    50376021 bindingdb
    50609274 bindingdb
    50738885 bindingdb
    50739103 bindingdb
    50753957 bindingdb
    50772190 bindingdb
    50772213 bindingdb
    50772748 bindingdb
    50773411 bindingdb
    50999991 bindingdb
    51006465 bindingdb
    51020467 bindingdb
    51023916 bindingdb
    51023932 bindingdb
    51023941 bindingdb
    51026237 bindingdb
    51026252 bindingdb
    Molport-001-783-508 molport
    916 drugcentral
    The data in this table is sourced from UniChem at EBI.