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Oxomemazine MS3_1
SpectraBase Compound ID 83upw3UQs6P
InChI InChI=1S/C13H10NO2S/c1-14-10-6-2-4-8-12(10)17(15,16)13-9-5-3-7-11(13)14/h2-9H,1H2/q+1
InChIKey SBHDSGYZPCGRPK-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C13H10NO2S
Exact Mass 244.043225 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AUahHXjeCm
Name Oxomemazine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-255.00]
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InChI InChI=1S/C13H10NO2S/c1-14-10-6-2-4-8-12(10)17(15,16)13-9-5-3-7-11(13)14/h2-9H,1H2/q+1
InChIKey SBHDSGYZPCGRPK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=[N+]1C2=CC=CC=C2S(C2=C1C=CC=C2)(=O)=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 ms3
Technique ITMS