Dataset

N-Acetylsolasodine

This MassBank record with Accession MSBNK-RIKEN-PR300623 contains the MS2 mass spectrum of N-Acetylsolasodine with the InChIkey JXAZKNVJWYDQJY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3
SMILES CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1C(C)=O
InChI Key JXAZKNVJWYDQJY-UHFFFAOYSA-N
Molecular Formula C29H45NO3
Exact Mass 455.683 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-PR300623
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:20:32.691714
MetadataModified 2025-02-09T18:28:14.066613
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20275955 EPA CompTox Dashboard
MCULE-5879541960 Mcule
60509-33-3 ACToR
58822-29-0 ACToR
100853 PubChem
The data in this table is sourced from UniChem at EBI.