Dataset

Cotinine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU228302 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-AU228302
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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
    No additional information available for this Dataset.