Dataset

Ricinine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82080 contains the MS mass spectrum of Ricinine with the InChIkey PETSAYFQSGAEQY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
SMILES CN1C=CC(=C(C1=O)C#N)OC
InChI Key PETSAYFQSGAEQY-UHFFFAOYSA-N
Molecular Formula C8H8N2O2
Exact Mass 164.059 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-BML82080
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:50.126552
MetadataModified 2024-01-11T22:27:50.296814
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
130UFS7AE0 FDA SRS
PD046023 ProbesDrugs
70070105 NMRShiftDB
LSM-3851 LINCS
15066560 PubChem: Thomson Pharma
524-40-3 ACToR
SCHEMBL257955 SureChEMBL
10666 PubChem
J89.951H Nikkaji
JAMHOU CCDC
MTBLC18043 Metabolights
44523 Brenda
HMDB0042006 Human Metabolome Database
18043 Rhea
MCULE-6550589959 Mcule
ZINC000000113473 ZINC
DTXSID50200412 EPA CompTox Dashboard
16139 Brenda
CB2202950 ChemicalBook
CHEMBL1329957 ChEMBL
C01526 KEGG Ligand
18043 ChEBI
766894 eMolecules
The data in this table is sourced from UniChem at EBI.