Dataset

Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002245 contains the MS2 mass spectrum of Nicotine sulfate with the InChIkey SNICXCGAKADSCV-UHFFFAOYSA-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
SMILES CN1CCCC1C1=CN=CC=C1
InChI Key SNICXCGAKADSCV-UHFFFAOYSA-N
Molecular Formula C10H14N2
Exact Mass 162.116 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT002245
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MetadataPublished 2023-09-19
Related Molecule
  • 3-(1-methylpyrrolidin-2-yl)pyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:138000 chebi
    CHEMBL440464 chembl
    11976729 surechembl
    20193 surechembl
    942 pubchem
    2585 gtopdb
    3978 gtopdb
    PD010183 probes_and_drugs
    174991 brenda
    HMDB0243542 hmdb
    50004108 bindingdb
    The data in this table is sourced from UniChem at EBI.