Dataset

Palmatine

This MassBank record with Accession MSBNK-RIKEN-PR300650 contains the MS2 mass spectrum of Palmatine with the InChIkey QUCQEUCGKKTEBI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
SMILES COC1=C(OC)C=C2C(CC[N+]3=C2C=C2C=CC(OC)=C(OC)C2=C3)=C1
InChI Key QUCQEUCGKKTEBI-UHFFFAOYSA-N
Molecular Formula [C21H22NO4]+
Exact Mass 352.410 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-PR300650
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:59.158763
MetadataModified 2025-02-09T18:19:44.829231
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J12.970D Nikkaji
LAXHEB CCDC
50292332 BindingDB
PALMATINE rxnorm
HY-N0110A MedChemExpress
DTXSID9048065 EPA CompTox Dashboard
CHEMBL206106 ChEMBL
C05315 KEGG Ligand
16096 ChEBI
ZINC000000608233 ZINC
MTBLC16096 Metabolights
5244 Brenda
16096 Rhea
CB6781763 ChemicalBook
MCULE-8294668918 Mcule
60026268 NMRShiftDB
PD062349 ProbesDrugs
G50C034217 FDA SRS
LSM-6625 LINCS
3486-67-7 ACToR
SCHEMBL562120 SureChEMBL
14953007 PubChem: Thomson Pharma
19009 PubChem
740794 eMolecules
The data in this table is sourced from UniChem at EBI.