Dataset

Isorhynchophylline

This MassBank record with Accession MSBNK-RIKEN-PR308879 contains the MS2 mass spectrum of Isorhynchophylline with the InChIkey DAXYUDFNWXHGBE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)
SMILES CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C(=O)NC1=CC=CC=C31
InChI Key DAXYUDFNWXHGBE-UHFFFAOYSA-N
Molecular Formula C22H28N2O4
Exact Mass 384.476 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-PR308879
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:09.059718
MetadataModified 2024-01-11T20:43:09.212907
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD086906 ProbesDrugs
HMDB0253688 Human Metabolome Database
409518 PubChem
MCULE-6364622479 Mcule
The data in this table is sourced from UniChem at EBI.