Dataset

Speciosine

This MassBank record with Accession MSBNK-RIKEN-PR304885 contains the MS2 mass spectrum of Speciosine with the InChIkey SOFSXTKPGSIDCI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H31NO6/c1-29(16-18-8-6-7-9-22(18)30)21-12-10-17-14-25(33-3)27(34-4)28(35-5)26(17)19-11-13-24(32-2)23(31)15-20(19)21/h6-9,11,13-15,21,30H,10,12,16H2,1-5H3
SMILES COC1=C(OC)C(OC)=C2C(CCC(N(C)CC3=CC=CC=C3O)C3=CC(=O)C(OC)=CC=C23)=C1
InChI Key SOFSXTKPGSIDCI-UHFFFAOYSA-N
Molecular Formula C28H31NO6
Exact Mass 477.557 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-PR304885
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:33:15.512329
MetadataModified 2025-02-09T18:29:50.841190
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
28126 PubChem
MCULE-5777694241 Mcule
The data in this table is sourced from UniChem at EBI.