Dataset

Tubotaiwine

This MassBank record with Accession MSBNK-RIKEN-PR300309 contains the MS2 mass spectrum of Tubotaiwine with the InChIkey RLAKWLFUMAABBE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3
SMILES CCC1C2N3CCC22C(NC4=CC=CC=C24)=C(C1CC3)C(=O)OC
InChI Key RLAKWLFUMAABBE-UHFFFAOYSA-N
Molecular Formula C20H24N2O2
Exact Mass 324.424 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-PR300309
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:24:25.964430
MetadataModified 2025-02-09T18:31:56.174210
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
100004 PubChem
6711-69-9 ACToR
70129338 NMRShiftDB
The data in this table is sourced from UniChem at EBI.