Dataset

(-)-Nicotine; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001099 contains the MS 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 CN(C2)C(CC2)c(c1)cncc1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001099
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    14748051 PubChem: Thomson Pharma
    60021635 NMRShiftDB
    PD003076 ProbesDrugs
    6M3C89ZY6R FDA SRS
    15171051 PubChem: Thomson Pharma
    LSM-2093 LINCS
    nicotine Atlas
    501591 eMolecules
    SCHEMBL20192 SureChEMBL
    MCULE-8728421654 Mcule
    89594 PubChem
    MTBLC17688 Metabolights
    210363 Brenda
    123346 Brenda
    nicotine DailyMed
    2572 Brenda
    HMDB0001934 Human Metabolome Database
    CB5293753 ChemicalBook
    6751 Brenda
    CHEMBL3 ChEMBL
    C00745 KEGG Ligand
    NCT PDBe
    2585 Guide to Pharmacology
    SAM002564224 NIH Clinical Collection
    1920 DrugCentral
    AHEZAQ CCDC
    82070 BindingDB
    NICOTINE DailyMed
    NICOTINE POLACRILEX rxnorm
    THRIVE rxnorm
    NICOTROL rxnorm
    NICOTINE BITARTRATE rxnorm
    HABITROL rxnorm
    NICOTINE rxnorm
    NICORETTE rxnorm
    PROSTEP clinicaltrials
    NICODERM CQ clinicaltrials
    NICORETTE clinicaltrials
    NICOTINE clinicaltrials
    NICOTINE BITARTRATE clinicaltrials
    NICOTINE POLACRILEX clinicaltrials
    NICOTROL clinicaltrials
    HABITROL clinicaltrials
    DTXSID1020930 EPA CompTox Dashboard
    DB00184 DrugBank
    J1.808.087G Nikkaji
    J9.266E Nikkaji
    ZINC000000391812 ZINC
    17688 ChEBI
    The data in this table is sourced from UniChem at EBI.