Dataset

Gelsevirine

This MassBank record with Accession MSBNK-RIKEN-PR300353 contains the MS2 mass spectrum of Gelsevirine with the InChIkey SSSCMFCWHWCCEH-MTYPYGCKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3/t12-,14+,16+,17+,18-,20-,21-/m0/s1
SMILES CON1C(=O)[C@@]2([C@H]3[C@H]4[C@H]5CO[C@@H]2C[C@H]5[C@@]3(CN4C)C=C)C2=CC=CC=C12
InChI Key SSSCMFCWHWCCEH-MTYPYGCKSA-N
Molecular Formula C21H24N2O3
Exact Mass 352.434 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-PR300353
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:01.013982
MetadataModified 2024-01-11T20:42:01.202917
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14217344 PubChem
PD167261 ProbesDrugs
ZINC000040916683 ZINC
CHEMBL515314 ChEMBL
HY-N3940 MedChemExpress
The data in this table is sourced from UniChem at EBI.