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Mexiletine
SpectraBase Compound ID GCSOVoAa546
InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
InChIKey VLPIATFUUWWMKC-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6jRjWepPHGa
Name Mexiletine MS2
CAS Registry Number 31828-71-4
Comments F: ITMS + c ESI d w Full ms2 180.10
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Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
InChIKey VLPIATFUUWWMKC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NC(COC1=C(C)C=CC=C1C)C
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