Dataset

Ricinine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00169 contains the MS2 mass spectrum of Ricinine with the InChIkey PETSAYFQSGAEQY-UHFFFAOYSA-N.

Chemical Information

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-BML00169
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44523 Brenda
    MTBLC18043 Metabolights
    HMDB0042006 Human Metabolome Database
    18043 Rhea
    10666 PubChem
    130UFS7AE0 FDA SRS
    PD046023 ProbesDrugs
    70070105 NMRShiftDB
    LSM-3851 LINCS
    15066560 PubChem: Thomson Pharma
    524-40-3 ACToR
    SCHEMBL257955 SureChEMBL
    766894 eMolecules
    18043 ChEBI
    CHEMBL1329957 ChEMBL
    C01526 KEGG Ligand
    CB2202950 ChemicalBook
    16139 Brenda
    MCULE-6550589959 Mcule
    J89.951H Nikkaji
    JAMHOU CCDC
    ZINC000000113473 ZINC
    DTXSID50200412 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.