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Venlafaxine-M/artifact (O-demethyl-N-demethyl- -H20) MS2
SpectraBase Compound ID FsdrQtMPLjs
InChI InChI=1S/C15H21NO/c1-16-11-15(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h5,7-10,15-17H,2-4,6,11H2,1H3
InChIKey UFEZVPXFTHTPQG-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4eOKPtOuR1X
Name Venlafaxine-M/artifact (O-demethyl-N-demethyl- -H20) MS2
Comments F: ITMS + c ESI d w Full ms2 232.10
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Formula C15H21NO
InChI InChI=1S/C15H21NO/c1-16-11-15(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h5,7-10,15-17H,2-4,6,11H2,1H3
InChIKey UFEZVPXFTHTPQG-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=CC(C(CNC)C=2CCCCC2)=CC1
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