Dataset

Tuberostemonine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00875 contains the MS2 mass spectrum of Tuberostemonine with the InChIkey GYOGHROCTSEKDY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3
SMILES CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C
InChI Key GYOGHROCTSEKDY-UHFFFAOYSA-N
Molecular Formula C22H33NO4
Exact Mass 375.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00875
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:40.085224
MetadataModified 2024-01-11T22:26:40.260317
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
435242 PubChem
J152.100D Nikkaji
PD086889 ProbesDrugs
60079578 NMRShiftDB
6879-01-2 ACToR
The data in this table is sourced from UniChem at EBI.