Dataset

Palmatine

This MassBank record with Accession MSBNK-RIKEN-PR300616 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-PR300616
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:59.755925
MetadataModified 2024-01-11T20:38:59.935006
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
ZINC000000608233 ZINC
CHEMBL206106 ChEMBL
C05315 KEGG Ligand
16096 ChEBI
MTBLC16096 Metabolights
5244 Brenda
16096 Rhea
CB6781763 ChemicalBook
740794 eMolecules
60026268 NMRShiftDB
PD062349 ProbesDrugs
G50C034217 FDA SRS
LSM-6625 LINCS
3486-67-7 ACToR
SCHEMBL562120 SureChEMBL
14953007 PubChem: Thomson Pharma
19009 PubChem
MCULE-8294668918 Mcule
The data in this table is sourced from UniChem at EBI.