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alpha-Phthalimidopropiophenone
SpectraBase Compound ID 6RJH9BGiI0E
InChI InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChIKey CKLKGWHINGNHOK-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9f1aI0motc
Name Cathinone phthalimide MS2
Comments F: ITMS + c ESI d w Full ms2 280.20
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Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChIKey CKLKGWHINGNHOK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=C(C=CC=C1)C(C(N1C(C2=C(C1=O)C=CC=C2)=O)C)=O
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