Dataset

Evodiamine

This MassBank record with Accession MSBNK-RIKEN-PR300643 contains the MS2 mass spectrum of Evodiamine with the InChIkey TXDUTHBFYKGSAH-SFHVURJKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
SMILES CN1[C@H]2N(CCC3=C2NC2=CC=CC=C32)C(=O)C2=CC=CC=C12
InChI Key TXDUTHBFYKGSAH-SFHVURJKSA-N
Molecular Formula C19H17N3O
Exact Mass 303.365 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-PR300643
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:08.091841
MetadataModified 2024-01-11T20:44:08.268089
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5164112529 Mcule
ZINC000000898159 ZINC
4948 ChEBI
VILHIH CCDC
EVODIAMINE rxnorm
HY-N0114 MedChemExpress
442088 PubChem
518-17-2 ACToR
SCHEMBL682158 SureChEMBL
16682739 PubChem: Thomson Pharma
60026271 NMRShiftDB
PD017889 ProbesDrugs
C01825BVNL FDA SRS
J9.430G Nikkaji
MCULE-2788564607 Mcule
CHEMBL463165 ChEMBL
C09187 KEGG Ligand
6856294 eMolecules
The data in this table is sourced from UniChem at EBI.