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4-METHOXY-1-METHYL-2(1H)-PYRIDONE-3-CARBONITRILE
SpectraBase Compound ID 8xUbBJhrj7U
InChI InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
InChIKey PETSAYFQSGAEQY-UHFFFAOYSA-N
Mol Weight 164.16 g/mol
Molecular Formula C8H8N2O2
Exact Mass 164.058578 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Fy5Gl5xp5NW
Name Ricinine MS2
CAS Registry Number 524-40-3
Comments F: ITMS + c ESI d w Full ms2 165.10
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Formula C8H8N2O2
InChI InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
InChIKey PETSAYFQSGAEQY-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1(=C(C(N(C=C1)C)=O)C#N)OC
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS