Dataset

Terbinafine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU271204 contains the MS2 mass spectrum of Terbinafine with the InChIkey DOMXUEMWDBAQBQ-WEVVVXLNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
SMILES CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12
InChI Key DOMXUEMWDBAQBQ-WEVVVXLNSA-N
Molecular Formula C21H25N
Exact Mass 291.199 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-AU271204
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C08079 KEGG Ligand
    CHEMBL822 ChEMBL
    J1.406.049I Nikkaji
    J126.310B Nikkaji
    ZINC000001530981 ZINC
    2597 DrugCentral
    DTXSID2023640 EPA CompTox Dashboard
    MCULE-4207852703 Mcule
    LSM-43227 LINCS
    HY-17395A MedChemExpress
    TDT-067 clinicaltrials
    LAMISIL clinicaltrials
    SF 86-327 clinicaltrials
    SF-86-327 clinicaltrials
    TERBINAFINE clinicaltrials
    TERBINAFINE HYDROCHLORIDE clinicaltrials
    TERBINAFINE rxnorm
    TERBINAFINE HYDROCHLORIDE rxnorm
    LAMISIL rxnorm
    TERBINAFINE DailyMed
    50018518 BindingDB
    HMDB0014995 Human Metabolome Database
    terbinafine DailyMed
    3534 Brenda
    9448 ChEBI
    G7RIW8S0XP FDA SRS
    DB00857 DrugBank
    terbinafine Atlas
    PD009684 ProbesDrugs
    14800096 PubChem: Thomson Pharma
    Terbinafine(Lamisil) Selleck
    PA451614 PharmGKB
    SCHEMBL36794 SureChEMBL
    91161-71-6 ACToR
    1549008 PubChem
    902552 eMolecules
    The data in this table is sourced from UniChem at EBI.