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Kebuzone
SpectraBase Compound ID 6Y94LMan5ml
InChI InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKey LGYTZKPVOAIUKX-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7q1CdU9h9w2
Name Suxibuzone-M MS2
Comments F: ITMS + c ESI d w Full ms2 323.10
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Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKey LGYTZKPVOAIUKX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=1C(=CC=CC1)N1N(C(C(C1=O)CCC(=O)C)=O)C=1C=CC=CC1
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS