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
    AMANTADINE HYDROCHLORIDE rxnorm
    GOCOVRI rxnorm
    AMANTADINE rxnorm
    GOCOVRI clinicaltrials
    AMANTADINE clinicaltrials
    AMANTADINE HYDROCHLORIDE clinicaltrials
    SYMADINE clinicaltrials
    SYMMETREL clinicaltrials
    MANTADIX clinicaltrials
    OSMOLEX clinicaltrials
    BF4C9Z1J53 FDA SRS
    DTXSID8022117 EPA CompTox Dashboard
    MCULE-9686682307 Mcule
    144 DrugCentral
    ZINC000000968256 ZINC
    4128 Guide to Pharmacology
    DIGDOM CCDC
    50033369 BindingDB
    AMANTADINE DailyMed
    10006057 NMRShiftDB
    226548 Brenda
    CHEMBL660 ChEMBL
    C06818 KEGG Ligand
    DB00915 DrugBank
    2618 ChEBI
    SCHEMBL4098 SureChEMBL
    amantadine DailyMed
    CB3259991 ChemicalBook
    16839 Brenda
    HMDB0015051 Human Metabolome Database
    200826 Brenda
    476391 eMolecules
    27515804 eMolecules
    2130 PubChem
    PD009648 ProbesDrugs
    LSM-3571 LINCS
    15219251 PubChem: Thomson Pharma
    PA448360 PharmGKB
    768-94-5 ACToR
    The data in this table is sourced from UniChem at EBI.