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Fenpipramide MS3_1
SpectraBase Compound ID I38yyW6lAZO
InChI InChI=1S/C16H15NO/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H2,(H-,17,18)/p+1
InChIKey KNXGSNSLNYEHFK-UHFFFAOYSA-O
Mol Weight 238.31 g/mol
Molecular Formula C16H16NO
Exact Mass 238.123189 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID H1TtaWuImqz
Name Loperamide-M (bis-nor-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00]
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InChI InChI=1S/C16H15NO/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H2,(H-,17,18)/p+1
InChIKey KNXGSNSLNYEHFK-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES NC(C(C[CH2+])(C1=CC=CC=C1)C1=CC=CC=C1)=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 ms3
Technique ITMS