Dataset

Tabersonine

This MassBank record with Accession MSBNK-RIKEN-PR300089 contains the MS2 mass spectrum of Tabersonine with the InChIkey FNGGIPWAZSFKCN-ACRUOGEOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1
SMILES CC[C@@]12CC(C(=O)OC)=C3NC4=CC=CC=C4[C@@]33CCN(CC=C1)[C@@H]23
InChI Key FNGGIPWAZSFKCN-ACRUOGEOSA-N
Molecular Formula C21H24N2O2
Exact Mass 336.435 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-PR300089
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:48.113874
MetadataModified 2024-01-11T20:42:48.268035
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C09244 KEGG Ligand
16776 ChEBI
20485 PubChem
15249363 PubChem: Thomson Pharma
16892980 PubChem: Thomson Pharma
4429-63-4 ACToR
60027943 NMRShiftDB
PD087228 ProbesDrugs
CHEMBL2011511 ChEMBL
J62.335K Nikkaji
SCHEMBL829379 SureChEMBL
DTXSID30196102 EPA CompTox Dashboard
HY-N1431 MedChemExpress
MN955K48NB FDA SRS
ZINC000056871302 ZINC
16148 Brenda
MTBLC16776 Metabolights
The data in this table is sourced from UniChem at EBI.