Dataset

12-Cytisineacetamide

This MassBank record with Accession MSBNK-RIKEN-PR301306 contains the MS2 mass spectrum of 12-Cytisineacetamide with the InChIkey MRVHCCZFXHOQOT-ZJUUUORDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H17N3O2/c14-12(17)8-15-5-9-4-10(7-15)11-2-1-3-13(18)16(11)6-9/h1-3,9-10H,4-8H2,(H2,14,17)/t9-,10+/m1/s1
SMILES OC(=N)CN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
InChI Key MRVHCCZFXHOQOT-ZJUUUORDSA-N
Molecular Formula C13H17N3O2
Exact Mass 247.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301306
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:34.629699
MetadataModified 2025-02-09T18:24:36.864438
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000006222190 ZINC
70005975 NMRShiftDB
15939882 PubChem
The data in this table is sourced from UniChem at EBI.