Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU228304 contains the MS2 mass spectrum of Cotinine with the InChIkey UIKROCXWUNQSPJ-VIFPVBQESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
SMILES CN1[C@@H](CCC1=O)c2cccnc2
InChI Key UIKROCXWUNQSPJ-VIFPVBQESA-N
Molecular Formula C10H12N2O
Exact Mass 176.095 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-AU228304
Version
Author
Maintainer
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MetadataPublished 2018-12-19
Related Molecule
  • (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:68641 chebi
    U5H rcsb_pdb
    CHEMBL578211 chembl
    29404962 surechembl
    49060 surechembl
    854019 pubchem
    K5161X06LL fdasrs
    PD002405 probes_and_drugs
    148713 brenda
    U5H pdbe
    Molport-001-742-588 molport
    737 drugcentral
    50370573 bindingdb
    The data in this table is sourced from UniChem at EBI.