Dataset

Gelsenicine

This MassBank record with Accession MSBNK-RIKEN-PR300041 contains the MS2 mass spectrum of Gelsenicine with the InChIkey BIGABVPVCRHEES-NWPJSNQLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1
SMILES CCC1=N[C@H]2C[C@]3([C@H]4C[C@@H]1[C@@H]2CO4)C(=O)N(OC)C1=CC=CC=C31
InChI Key BIGABVPVCRHEES-NWPJSNQLSA-N
Molecular Formula C19H22N2O3
Exact Mass 326.396 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-PR300041
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T12:00:43.015561
MetadataModified 2024-01-15T12:00:43.248300
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL523429 ChEMBL
PD124356 ProbesDrugs
21123652 PubChem
J607.226G Nikkaji
ZINC000031459051 ZINC
CB31319463 ChemicalBook
HY-N4030 MedChemExpress
The data in this table is sourced from UniChem at EBI.