Dataset

(-)-Nicotine

This MassBank record with Accession MSBNK-Waters-WA001096 contains the MS mass spectrum of (-)-Nicotine with the InChIkey SNICXCGAKADSCV-JTQLQIEISA-N.

Chemical Info

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-WA001096
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:51.416105
MetadataModified 2024-01-11T22:48:51.608960
MetadataPublished 2016-01-19
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
J1.808.087G Nikkaji
J9.266E Nikkaji
MCULE-8728421654 Mcule
SCHEMBL20192 SureChEMBL
89594 PubChem
HABITROL clinicaltrials
NICORETTE rxnorm
NICODERM CQ clinicaltrials
NICORETTE clinicaltrials
NICOTINE clinicaltrials
NICOTINE BITARTRATE clinicaltrials
NICOTINE POLACRILEX clinicaltrials
NICOTROL clinicaltrials
DTXSID1020930 EPA CompTox Dashboard
DB00184 DrugBank
1920 DrugCentral
ZINC000000391812 ZINC
AHEZAQ CCDC
82070 BindingDB
NICOTINE DailyMed
NICOTINE POLACRILEX rxnorm
THRIVE rxnorm
NICOTINE BITARTRATE rxnorm
NICOTROL rxnorm
HABITROL rxnorm
NICOTINE rxnorm
PROSTEP clinicaltrials
123346 Brenda
HMDB0001934 Human Metabolome Database
CB5293753 ChemicalBook
210363 Brenda
17688 ChEBI
6751 Brenda
MTBLC17688 Metabolights
nicotine DailyMed
2572 Brenda
CHEMBL3 ChEMBL
NCT PDBe
C00745 KEGG Ligand
SAM002564224 NIH Clinical Collection
2585 Guide to Pharmacology
501591 eMolecules
The data in this table is sourced from UniChem at EBI.