Dataset

Amantadine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF414702 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 NC12CC3CC(CC(C3)C1)C2
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-UFZ-UF414702
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MetadataPublished 2017-01-05
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
    159991 bindingdb
    159992 bindingdb
    159993 bindingdb
    159994 bindingdb
    159995 bindingdb
    159996 bindingdb
    159997 bindingdb
    50074480 bindingdb
    50074490 bindingdb
    50074491 bindingdb
    50074492 bindingdb
    50107782 bindingdb
    50388928 bindingdb
    50639182 bindingdb
    50726021 bindingdb
    51026289 bindingdb
    51026869 bindingdb
    51026871 bindingdb
    51040689 bindingdb
    51134361 bindingdb
    51134365 bindingdb
    51134371 bindingdb
    51134377 bindingdb
    51134378 bindingdb
    51137234 bindingdb
    51174059 bindingdb
    51202179 bindingdb
    51218839 bindingdb
    51220397 bindingdb
    51502663 bindingdb
    51508800 bindingdb
    51508812 bindingdb
    51528837 bindingdb
    Molport-001-661-700 molport
    144 drugcentral
    The data in this table is sourced from UniChem at EBI.