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Pentoxyverine-m (-C2H5)
SpectraBase Compound ID LO0MwMpxK3M
InChI InChI=1S/C18H27NO3/c1-2-19-12-13-21-14-15-22-17(20)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9,19H,2,6-7,10-15H2,1H3
InChIKey PHNWOODFFUSLBM-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GqAXG4d7eOg
Name Pentoxyverine-M (N-deethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 306.10
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Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-2-19-12-13-21-14-15-22-17(20)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9,19H,2,6-7,10-15H2,1H3
InChIKey PHNWOODFFUSLBM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCOCCOC(C1(C=2C=CC=CC2)CCCC1)=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS