Dataset

Mitragynine

This MassBank record with Accession MSBNK-RIKEN-PR305086 contains the MS2 mass spectrum of Mitragynine with the InChIkey LELBFTMXCIIKKX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3
SMILES CCC1CN2CCC3=C(NC4=C3C(OC)=CC=C4)C2CC1C(=COC)C(=O)OC
InChI Key LELBFTMXCIIKKX-UHFFFAOYSA-N
Molecular Formula C23H30N2O4
Exact Mass 398.503 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-PR305086
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:51.572298
MetadataModified 2024-01-11T20:39:51.732593
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
611919 PubChem
HMDB0243644 Human Metabolome Database
ZZZPOK CCDC
PD074855 ProbesDrugs
The data in this table is sourced from UniChem at EBI.