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Nicardipine-M (N-bis-dealkyl-) MS2
SpectraBase Compound ID 15wWe6VSpCw
InChI InChI=1S/C18H21N3O6/c1-10-14(17(22)26-3)16(12-5-4-6-13(9-12)21(24)25)15(11(2)20-10)18(23)27-8-7-19/h4-6,9,16,20H,7-8,19H2,1-3H3
InChIKey HVBOZWGIWZJYRE-UHFFFAOYSA-N
Mol Weight 375.38 g/mol
Molecular Formula C18H21N3O6
Exact Mass 375.143035 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID nst23KMW5F
Name Nicardipine-M (N-bis-dealkyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 376.10
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Formula C18H21N3O6
InChI InChI=1S/C18H21N3O6/c1-10-14(17(22)26-3)16(12-5-4-6-13(9-12)21(24)25)15(11(2)20-10)18(23)27-8-7-19/h4-6,9,16,20H,7-8,19H2,1-3H3
InChIKey HVBOZWGIWZJYRE-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NCCOC(C1=C(C)NC(=C(C1C1=CC=CC(=C1)N(=O)=O)C(=O)OC)C)=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