Dataset

Nornicotine

This MassBank record with Accession MSBNK-Athens_Univ-AU222801 contains the MS2 mass spectrum of Nornicotine with the InChIkey MYKUKUCHPMASKF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
SMILES	C1CNC(C1)C1=CC=CN=C1
InChI Key	MYKUKUCHPMASKF-UHFFFAOYSA-N
Molecular Formula	C9H12N2
Exact Mass	148.100 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU222801
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:50:41.409260
MetadataModified	2024-01-11T09:50:41.565273
MetadataPublished	2015-12-05

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15194685	PubChem: Thomson Pharma
494-97-3	ACToR
SCHEMBL158145	SureChEMBL
LSM-5009	LINCS
PD003066	ProbesDrugs
412	PubChem
5746-86-1	ACToR
10024262	NMRShiftDB
MCULE-5742121668	Mcule
J391.269H	Nikkaji
HMDB0001126	Human Metabolome Database
CB4385206	ChemicalBook
10734	Brenda
NORNICOTINE	clinicaltrials
50023328	BindingDB
CHEMBL1132	ChEMBL
C06524	KEGG Ligand
SAM001247026	NIH Clinical Collection
530037	eMolecules
The data in this table is sourced from UniChem at EBI.