Dataset

Cotinine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80980 contains the MS mass spectrum of Cotinine with the InChIkey UIKROCXWUNQSPJ-UHFFFAOYSA-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
SMILES CN1C(CCC1=O)C2=CN=CC=C2
InChI Key UIKROCXWUNQSPJ-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80980
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-methyl-5-pyridin-3-ylpyrrolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    76104 NMRShiftDB
    DTXSID6047577 EPA CompTox Dashboard
    HMDB0001046 Human Metabolome Database
    PD055701 ProbesDrugs
    182609 ChEBI
    15219602 PubChem: Thomson Pharma
    SCHEMBL49061 SureChEMBL
    15569-85-4 ACToR
    918617 eMolecules
    CHEMBL664 ChEMBL
    82069 BindingDB
    J47.255G Nikkaji
    MCULE-3907986603 Mcule
    408 PubChem
    The data in this table is sourced from UniChem at EBI.