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Fipexide-M (N-oxide) MS2
SpectraBase Compound ID AHH419vrXxy
InChI InChI=1S/C20H22ClN2O5/c21-16-2-4-17(5-3-16)26-13-20(24)23(25)9-7-22(8-10-23)12-15-1-6-18-19(11-15)28-14-27-18/h1-6,11,25H,7-10,12-14H2/q+1
InChIKey YFHKPMGMJMKSNN-UHFFFAOYSA-N
Mol Weight 405.86 g/mol
Molecular Formula C20H22ClN2O5
Exact Mass 405.121725 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 18jo8O1xYL9
Name Fipexide-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 405.10
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Formula C20H21ClN2O5
InChI InChI=1S/C20H22ClN2O5/c21-16-2-4-17(5-3-16)26-13-20(24)23(25)9-7-22(8-10-23)12-15-1-6-18-19(11-15)28-14-27-18/h1-6,11,25H,7-10,12-14H2/q+1
InChIKey YFHKPMGMJMKSNN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES O[N+]1(CCN(CC=2C=CC=3OCOC3C2)CC1)C(COC1=CC=C(C=C1)Cl)=O
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