Dataset

Sinomenine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00410 contains the MS2 mass spectrum of Sinomenine with the InChIkey INYYVPJSBIVGPH-QHRIQVFBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
SMILES CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI Key INYYVPJSBIVGPH-QHRIQVFBSA-N
Molecular Formula C19H23NO4
Exact Mass 329.163 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-BML00410
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:51.086946
MetadataModified 2024-01-11T22:25:51.332781
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3726900481 Mcule
63LT81K70N FDA SRS
SCHEMBL363812 SureChEMBL
PD000544 ProbesDrugs
DB16892 DrugBank
Sinomenine(Cucoline) Selleck
115-53-7 ACToR
LSM-24940 LINCS
50241298 BindingDB
HY-15122 MedChemExpress
9163 ChEBI
ZINC000001280591 ZINC
MTBLC9163 Metabolights
5459308 PubChem
143751 Brenda
CHEMBL248095 ChEMBL
C09643 KEGG Ligand
501331 eMolecules
The data in this table is sourced from UniChem at EBI.