Dataset

Nornicotine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU222805 contains the MS2 mass spectrum of Nornicotine with the InChIkey MYKUKUCHPMASKF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
SMILES C1CNC(C1)C1=CC=CN=C1
InChI Key MYKUKUCHPMASKF-UHFFFAOYSA-N
Molecular Formula C9H12N2
Exact Mass 148.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU222805
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MetadataPublished 2015-12-05
Related Molecule
  • 3-pyrrolidin-2-ylpyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15194685 PubChem: Thomson Pharma
    494-97-3 ACToR
    SCHEMBL158145 SureChEMBL
    LSM-5009 LINCS
    PD003066 ProbesDrugs
    412 PubChem
    5746-86-1 ACToR
    530037 eMolecules
    10024262 NMRShiftDB
    MCULE-5742121668 Mcule
    HMDB0001126 Human Metabolome Database
    NORNICOTINE clinicaltrials
    50023328 BindingDB
    J391.269H Nikkaji
    10734 Brenda
    CB4385206 ChemicalBook
    SAM001247026 NIH Clinical Collection
    CHEMBL1132 ChEMBL
    C06524 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.