Dataset

Diphenydramine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001665 contains the MS mass spectrum of Diphenydramine 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(c(c2)cccc2)c(c1)cccc1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001665
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    Molport-001-783-508 molport
    916 drugcentral
    50017674 bindingdb
    The data in this table is sourced from UniChem at EBI.