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Pentoxyverine-M (N-oxide) MS3_2
SpectraBase Compound ID V01cW25ysD
InChI InChI=1S/C11H13/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2/q+1
InChIKey DKASZJVCOWSLGJ-UHFFFAOYSA-N
Mol Weight 145.22 g/mol
Molecular Formula C11H13
Exact Mass 145.101725 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CCxUxgCKjIG
Name Pentoxyverine-M (296) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-160.00]
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InChI InChI=1S/C11H13/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2/q+1
InChIKey DKASZJVCOWSLGJ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+]1(CCCC1)C1=CC=CC=C1
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