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Paroxetine-M (demethylenyl-methyl-) isomer 1 MS3_2
SpectraBase Compound ID CWgL6rMlwe
InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-3,5H,4H2,1H3/p+1
InChIKey PJPHCNPBSPXFBV-UHFFFAOYSA-O
Mol Weight 125.15 g/mol
Molecular Formula C7H9O2
Exact Mass 125.060255 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8uH2UNDcCb2
Name Paroxetine-M (demethylenyl-methyl-) isomer 1 MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-165.00]
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InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-3,5H,4H2,1H3/p+1
InChIKey PJPHCNPBSPXFBV-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC=1C[CH+]C=CC1OC
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