Dataset

Catharanthine

This MassBank record with Accession MSBNK-RIKEN-PR301289 contains the MS2 mass spectrum of Catharanthine with the InChIkey CMKFQVZJOWHHDV-NQZBTDCJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
SMILES CCC1=C[C@@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@](C2)([C@@H]13)C(=O)OC
InChI Key CMKFQVZJOWHHDV-NQZBTDCJSA-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-PR301289
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:30.368867
MetadataModified 2024-01-11T20:38:30.533797
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
32452584 eMolecules
5458190 PubChem
J15.154H Nikkaji
HY-N0252 MedChemExpress
J2.996.318E Nikkaji
50396009 BindingDB
ZINC000057297068 ZINC
CB6121923 ChemicalBook
165837 Brenda
catharanthine Selleck
MTBLC3469 Metabolights
3469 ChEBI
15940443 PubChem: Thomson Pharma
PD013110 ProbesDrugs
16062344 PubChem: Thomson Pharma
CHEMBL2163793 ChEMBL
WT0YJV846J FDA SRS
The data in this table is sourced from UniChem at EBI.