Dataset

N-acetylcytisine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00802 contains the MS2 mass spectrum of N-acetylcytisine with the InChIkey WCRIKJOQMRFVPX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-10-5-11(8-14)12-3-2-4-13(17)15(12)7-10/h2-4,10-11H,5-8H2,1H3
SMILES CC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2
InChI Key WCRIKJOQMRFVPX-UHFFFAOYSA-N
Molecular Formula C13H16N2O2
Exact Mass 232.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00802
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:49.713091
MetadataModified 2024-01-11T22:27:49.890347
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3716901 PubChem
181846 ChEBI
60025422 NMRShiftDB
4782317 eMolecules
CHEMBL1513538 ChEMBL
The data in this table is sourced from UniChem at EBI.