Dataset

Nicotine; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ300803 contains the MS2 mass spectrum of Nicotine with the InChIkey SNICXCGAKADSCV-JTQLQIEISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
SMILES n1cc(ccc1)[C@H]2N(C)CCC2
InChI Key SNICXCGAKADSCV-JTQLQIEISA-N
Molecular Formula C10H14N2
Exact Mass 162.116 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-EQ300803
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Maintainer
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MetadataPublished 2015-08-25
Related Molecule
  • 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00184 drugbank
    CHEBI:17688 chebi
    NCT rcsb_pdb
    CHEMBL3 chembl
    20192 surechembl
    29350932 surechembl
    89594 pubchem
    6M3C89ZY6R fdasrs
    NCT pdbe
    PD003076 probes_and_drugs
    AHEZAQ CCDC
    123346 brenda
    210363 brenda
    2572 brenda
    6751 brenda
    HMDB0001934 hmdb
    1920 drugcentral
    50004108 bindingdb
    82070 bindingdb
    The data in this table is sourced from UniChem at EBI.