Dataset

Evodiamine

This MassBank record with Accession MSBNK-RIKEN-PR304808 contains the MS2 mass spectrum of Evodiamine with the InChIkey TXDUTHBFYKGSAH-UHFFFAOYSA-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
SMILES CN1C2N(CCC3=C2NC2=CC=CC=C32)C(=O)C2=CC=CC=C12
InChI Key TXDUTHBFYKGSAH-UHFFFAOYSA-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-PR304808
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:16:55.635550
MetadataModified 2025-02-09T18:31:43.379846
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
151289 PubChem
PD003598 ProbesDrugs
LSM-6483 LINCS
SCHEMBL139349 SureChEMBL
14751849 PubChem: Thomson Pharma
1935828 eMolecules
CB7344026 ChemicalBook
MCULE-3374039628 Mcule
CHEMBL81925 ChEMBL
J3.055.175C Nikkaji
50016250 BindingDB
95196 ChEBI
HY-N0114A MedChemExpress
HMDB0252138 Human Metabolome Database
Evodiamine(Isoevodiamine) Selleck
The data in this table is sourced from UniChem at EBI.