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Suxibuzone MS3_2
SpectraBase Compound ID C9jm6tUyWRC
InChI InChI=1S/C20H21N2O2/c1-3-4-15-20(2)18(23)21(16-11-7-5-8-12-16)22(19(20)24)17-13-9-6-10-14-17/h5-14H,2-4,15H2,1H3/q+1
InChIKey WKDTWWMMNWFYRQ-UHFFFAOYSA-N
Mol Weight 321.4 g/mol
Molecular Formula C20H21N2O2
Exact Mass 321.160303 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JV9scURk4dh
Name Suxibuzone MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-335.00]
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InChI InChI=1S/C20H21N2O2/c1-3-4-15-20(2)18(23)21(16-11-7-5-8-12-16)22(19(20)24)17-13-9-6-10-14-17/h5-14H,2-4,15H2,1H3/q+1
InChIKey WKDTWWMMNWFYRQ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]C1(C(N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1)=O)CCCC
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 ms3
Technique ITMS