Dataset

19S-Methoxytubotaiwine

This MassBank record with Accession MSBNK-RIKEN-PR300023 contains the MS2 mass spectrum of 19S-Methoxytubotaiwine with the InChIkey LTOOPESWVADEAE-JHOCLNBPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-12(25-2)16-13-8-10-23-11-9-21(19(16)23)14-6-4-5-7-15(14)22-18(21)17(13)20(24)26-3/h4-7,12-13,16,19,22H,8-11H2,1-3H3/t12-,13+,16?,19-,21-/m1/s1
SMILES CO[C@H](C)C1[C@H]2N3CC[C@@]22C(NC4=CC=CC=C24)=C([C@H]1CC3)C(=O)OC
InChI Key LTOOPESWVADEAE-JHOCLNBPSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.450 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-PR300023
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:11.386924
MetadataModified 2024-01-11T20:43:11.550985
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137832352 PubChem
70035699 NMRShiftDB
The data in this table is sourced from UniChem at EBI.