Dataset

Ethylrhoeagenine

This MassBank record with Accession MSBNK-RIKEN-PR310632 contains the MS2 mass spectrum of Ethylrhoeagenine with the InChIkey RKBDCPZCGRWNMP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H23NO6/c1-3-24-22-18-13(4-5-15-21(18)28-11-25-15)19-20(29-22)14-9-17-16(26-10-27-17)8-12(14)6-7-23(19)2/h4-5,8-9,19-20,22H,3,6-7,10-11H2,1-2H3
SMILES CCOC1OC2C(N(C)CCC3=C2C=C2OCOC2=C3)C2=C1C1=C(OCO1)C=C2
InChI Key RKBDCPZCGRWNMP-UHFFFAOYSA-N
Molecular Formula C22H23NO6
Exact Mass 397.427 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-PR310632
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:57.658924
MetadataModified 2024-01-11T20:38:57.855997
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12309394 PubChem
The data in this table is sourced from UniChem at EBI.