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Nicardipine-M (dehydro-) MS3_1
SpectraBase Compound ID KYQrKF8YdXp
InChI InChI=1S/C18H17N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9H,1,5H2,2-4H3/q+1
InChIKey IMUNRAKLLKOGNX-UHFFFAOYSA-N
Mol Weight 357.34 g/mol
Molecular Formula C18H17N2O6
Exact Mass 357.108661 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FYtseAXHU9c
Name Nicardipine-M (N-dealkyl-dehydro-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-370.00]
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InChI InChI=1S/C18H17N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9H,1,5H2,2-4H3/q+1
InChIKey IMUNRAKLLKOGNX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]COC(C=1C(C=2C=CC=C(C2)N(=O)=O)=C(C(=O)OC)C(=NC1C)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 ms3
Technique ITMS