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Nicardipine-M (N-dealkyl-dehydro-) MS2
SpectraBase Compound ID LBbh4d4tfFV
InChI InChI=1S/C19H21N3O6/c1-11-15(18(23)27-4)17(13-6-5-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-8-20-3/h5-7,10,20H,8-9H2,1-4H3
InChIKey GRYVPCUXYATDFG-UHFFFAOYSA-N
Mol Weight 387.39 g/mol
Molecular Formula C19H21N3O6
Exact Mass 387.143035 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8pLbQpBjf6
Name Nicardipine-M (N-dealkyl-dehydro-) MS2
Comments F: ITMS + c ESI d w Full ms2 388.10
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Formula C19H21N3O6
InChI InChI=1S/C19H21N3O6/c1-11-15(18(23)27-4)17(13-6-5-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-8-20-3/h5-7,10,20H,8-9H2,1-4H3
InChIKey GRYVPCUXYATDFG-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCOC(C1=C(C(=C(N=C1C)C)C(=O)OC)C1=CC=CC(=C1)N(=O)=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 ms2
Technique ITMS