Dataset

Diphenhydramine; LC-ESI-QTOF; MS2; CE: Ramp 20.0-30.0 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU267106 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-Athens_Univ-AU267106
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
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    Measurement Technique liquid chromatography-mass spectrometry
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    CHEMBL657 chembl
    4064 surechembl
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    FIMTAW CCDC
    155303 brenda
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    Molport-001-783-508 molport
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    The data in this table is sourced from UniChem at EBI.