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Xylazine-M (sulfone-) MS3_2
SpectraBase Compound ID GWFDs1TwIrL
InChI InChI=1S/C9H11N2/c1-7-4-3-5-8(2)9(7)11-6-10/h3-4,6H,1-2H3,(H2,10,11)/q+1
InChIKey AQUHMGXFWSOKGX-UHFFFAOYSA-N
Mol Weight 147.2 g/mol
Molecular Formula C9H11N2
Exact Mass 147.092223 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Bmjeo3uWdM2
Name Xylazine-M (sulfone-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-160.00]
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InChI InChI=1S/C9H11N2/c1-7-4-3-5-8(2)9(7)11-6-10/h3-4,6H,1-2H3,(H2,10,11)/q+1
InChIKey AQUHMGXFWSOKGX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C1=C(C=C[C+]=C1C)C)C=N
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 ms3
Technique ITMS