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Nicardipine-M (N-bis-dealkyl-) MS3_1
SpectraBase Compound ID COUXZHXQ5Op
InChI InChI=1S/C17H17N3O5/c1-10-14(9-21)16(12-4-3-5-13(8-12)20(23)24)15(11(2)19-10)17(22)25-7-6-18/h3-5,8,16H,6-7,18H2,1-2H3/p+1
InChIKey AFVKKAUHAFWIRD-UHFFFAOYSA-O
Mol Weight 344.35 g/mol
Molecular Formula C17H18N3O5
Exact Mass 344.124646 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JUDNrfsWZn4
Name Nicardipine-M (N-bis-dealkyl-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-355.00]
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InChI InChI=1S/C17H17N3O5/c1-10-14(9-21)16(12-4-3-5-13(8-12)20(23)24)15(11(2)19-10)17(22)25-7-6-18/h3-5,8,16H,6-7,18H2,1-2H3/p+1
InChIKey AFVKKAUHAFWIRD-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(=C(C(OCCN)=O)C(C([C+]=O)=C1C)C1=CC=CC(=C1)N(=O)=O)C
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