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Nicardipine-M (dehydro-) MS3_2
SpectraBase Compound ID G4BlBE3ZiS1
InChI InChI=1S/C16H13N2O5/c1-9-13(8-19)15(14(10(2)17-9)16(20)23-3)11-5-4-6-12(7-11)18(21)22/h4-7H,1-3H3/q+1
InChIKey ZTVLMSMOMOBRGB-UHFFFAOYSA-N
Mol Weight 313.29 g/mol
Molecular Formula C16H13N2O5
Exact Mass 313.082447 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lq54QS2jNvf
Name Nicardipine-M (N-dealkyl-dehydro-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-325.00]
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InChI InChI=1S/C16H13N2O5/c1-9-13(8-19)15(14(10(2)17-9)16(20)23-3)11-5-4-6-12(7-11)18(21)22/h4-7H,1-3H3/q+1
InChIKey ZTVLMSMOMOBRGB-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](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