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Ranolazine-M (N-dealkylation-) isomer 2 MS2
SpectraBase Compound ID 6jp52iGKojO
InChI InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
InChIKey NJKRFQIWDJSYOK-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C14H21N3O
Exact Mass 247.168462 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9pUNDIqM08
Name Ranolazine-M (N-dealkylation-) isomer 2 MS2
Comments F: ITMS + c ESI d w Full ms2 248.10
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Formula C14H21N3O
InChI InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
InChIKey NJKRFQIWDJSYOK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C1=C(C)C=CC=C1C)C(CN1CCNCC1)=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