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Quinethazone artifact (deamino-) MS2
SpectraBase Compound ID BbzA6BOc64T
InChI InChI=1S/C10H9ClN2O3S/c1-2-9-12-7-4-6(11)8(17(15)16)3-5(7)10(14)13-9/h3-4,9H,2H2,1H3,(H-,12,13,14,15,16)/p+1
InChIKey NATPHIYNOKZMND-UHFFFAOYSA-O
Mol Weight 273.71 g/mol
Molecular Formula C10H10ClN2O3S
Exact Mass 273.010066 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LL2ZEgl1HLj
Name Quinethazone artifact (deamino-) MS2
Comments F: ITMS + c ESI d w Full ms2 273.10
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InChI InChI=1S/C10H9ClN2O3S/c1-2-9-12-7-4-6(11)8(17(15)16)3-5(7)10(14)13-9/h3-4,9H,2H2,1H3,(H-,12,13,14,15,16)/p+1
InChIKey NATPHIYNOKZMND-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(NC(C2=CC([S+](=O)=O)=C(Cl)C=C12)=O)CC
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