Dataset

Amantadine; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ312406 contains the MS2 mass spectrum of Amantadine with the InChIkey DKNWSYNQZKUICI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
SMILES C1C2CC3CC1CC(C2)(C3)N
InChI Key DKNWSYNQZKUICI-UHFFFAOYSA-N
Molecular Formula C10H17N
Exact Mass 151.136 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-Eawag-EQ312406
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MetadataPublished 2015-08-25
Related Molecule
  • adamantan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00915 drugbank
    CHEBI:2618 chebi
    CHEMBL660 chembl
    4098 surechembl
    2130 pubchem
    4128 gtopdb
    PD009648 probes_and_drugs
    DIGDOM CCDC
    16839 brenda
    200826 brenda
    226548 brenda
    BF4C9Z1J53 fdasrs
    HMDB0015051 hmdb
    Molport-001-661-700 molport
    144 drugcentral
    50033369 bindingdb
    The data in this table is sourced from UniChem at EBI.