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Mebeverine-M (O-demethyl-alcohol) MS2
SpectraBase Compound ID I2P4yhhT0An
InChI InChI=1S/C15H25NO2/c1-3-16(10-4-5-11-17)13(2)12-14-6-8-15(18)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKey RNGYIAYXMHMWTO-UHFFFAOYSA-N
Mol Weight 251.37 g/mol
Molecular Formula C15H25NO2
Exact Mass 251.188529 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6IqgrDDp9we
Name Mebeverine-M (O-demethyl-alcohol-sulfate) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C15H25NO2
InChI InChI=1S/C15H25NO2/c1-3-16(10-4-5-11-17)13(2)12-14-6-8-15(18)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKey RNGYIAYXMHMWTO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C(CC(N(CCCCO)CC)C)C=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