Dataset

(-)-Nicotine

This MassBank record with Accession MSBNK-Waters-WA001100 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-WA001100
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:49.140855
MetadataModified 2024-01-11T22:46:49.295014
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
nicotine Atlas
15171051 PubChem: Thomson Pharma
LSM-2093 LINCS
6M3C89ZY6R FDA SRS
MCULE-8728421654 Mcule
SCHEMBL20192 SureChEMBL
89594 PubChem
MTBLC17688 Metabolights
17688 ChEBI
2572 Brenda
210363 Brenda
nicotine DailyMed
123346 Brenda
CB5293753 ChemicalBook
HMDB0001934 Human Metabolome Database
6751 Brenda
501591 eMolecules
CHEMBL3 ChEMBL
C00745 KEGG Ligand
NCT PDBe
2585 Guide to Pharmacology
SAM002564224 NIH Clinical Collection
82070 BindingDB
AHEZAQ CCDC
HABITROL rxnorm
NICOTINE POLACRILEX rxnorm
THRIVE rxnorm
NICORETTE rxnorm
NICOTINE BITARTRATE rxnorm
NICOTROL rxnorm
NICOTINE rxnorm
HABITROL clinicaltrials
PROSTEP clinicaltrials
NICODERM CQ clinicaltrials
NICORETTE clinicaltrials
NICOTINE clinicaltrials
NICOTINE BITARTRATE clinicaltrials
NICOTINE POLACRILEX clinicaltrials
NICOTROL clinicaltrials
J1.808.087G Nikkaji
J9.266E Nikkaji
NICOTINE DailyMed
DTXSID1020930 EPA CompTox Dashboard
ZINC000000391812 ZINC
DB00184 DrugBank
1920 DrugCentral
The data in this table is sourced from UniChem at EBI.