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
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Maintainer
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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
    PD009823 ProbesDrugs
    8GTS82S83M FDA SRS
    14749996 PubChem: Thomson Pharma
    58-73-1 ACToR
    PA449349 PharmGKB
    LSM-5581 LINCS
    716786 eMolecules
    36366 Brenda
    CB6196202 ChemicalBook
    HMDB0001927 Human Metabolome Database
    diphenhydramine DailyMed
    155303 Brenda
    MCULE-6260910826 Mcule
    SCHEMBL4064 SureChEMBL
    CHEMBL657 ChEMBL
    2PM PDBe
    4636 ChEBI
    DB01075 DrugBank
    C06960 KEGG Ligand
    DIPHENHYDRAMINE DailyMed
    J1.390K Nikkaji
    FIMTAW CCDC
    916 DrugCentral
    DTXSID4022949 EPA CompTox Dashboard
    HYDRAMINE clinicaltrials
    RESTAMIN clinicaltrials
    BENADRYL clinicaltrials
    BELIX clinicaltrials
    BELDIN clinicaltrials
    BENYLIN clinicaltrials
    DIPHENHYDRAMINE HYDROCHLORIDE clinicaltrials
    DIPHENHYDRAMINE CITRATE clinicaltrials
    DIPHENHYDRAMINE clinicaltrials
    DIPHEN clinicaltrials
    SILPHEN clinicaltrials
    VICKS FORMULA 44 clinicaltrials
    DIPHENHYDRAMINE rxnorm
    CALADRYL rxnorm
    NYTOL rxnorm
    DIPHENHYDRAMINE CITRATE rxnorm
    BENADRYL rxnorm
    DIPHENHYDRAMINE TANNATE rxnorm
    DYTUSS rxnorm
    DIPHENHYDRAMINE HYDROCHLORIDE rxnorm
    ZINC000000020244 ZINC
    50017674 BindingDB
    3100 PubChem
    1224 Guide to Pharmacology
    The data in this table is sourced from UniChem at EBI.