Dataset

Seneciphylline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82162 contains the MS mass spectrum of Seneciphylline with the InChIkey FCEVNJIUIMLVML-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3
SMILES CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O
InChI Key FCEVNJIUIMLVML-UHFFFAOYSA-N
Molecular Formula C18H23NO5
Exact Mass 333.158 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-BML82162
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:12.515263
MetadataModified 2024-01-11T22:23:12.691161
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
521227 PubChem
PD053435 ProbesDrugs
181715 ChEBI
HMDB0258231 Human Metabolome Database
MCULE-4830898327 Mcule
The data in this table is sourced from UniChem at EBI.