Dataset

12-(3-Hydroxyethyl)-cytisine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80170 contains the MS mass spectrum of 12-(3-Hydroxyethyl)-cytisine with the InChIkey YACCDFQYQYSQKW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18N2O2/c16-5-4-14-7-10-6-11(9-14)12-2-1-3-13(17)15(12)8-10/h1-3,10-11,16H,4-9H2
SMILES C1C2CN(CC1C3=CC=CC(=O)N3C2)CCO
InChI Key YACCDFQYQYSQKW-UHFFFAOYSA-N
Molecular Formula C13H18N2O2
Exact Mass 234.137 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-BML80170
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:22.897882
MetadataModified 2024-01-11T22:28:23.051998
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26401674 eMolecules
8298869 eMolecules
CHEMBL1559405 ChEMBL
SCHEMBL257951 SureChEMBL
MCULE-1747829857 Mcule
3773003 PubChem
16805999 PubChem: Thomson Pharma
DTXSID70396220 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.