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Nisoldipine MS3_1
SpectraBase Compound ID 6Z2tltJ25S1
InChI InChI=1S/C19H20N2O5/c1-11(2)10-26-19(23)17-13(4)20-12(3)15(9-22)18(17)14-7-5-6-8-16(14)21(24)25/h5-8,11,18H,10H2,1-4H3/p+1
InChIKey HAQWCYROZVWVMD-UHFFFAOYSA-O
Mol Weight 357.39 g/mol
Molecular Formula C19H21N2O5
Exact Mass 357.145047 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KlpOsS5X2Ge
Name Nisoldipine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C19H20N2O5/c1-11(2)10-26-19(23)17-13(4)20-12(3)15(9-22)18(17)14-7-5-6-8-16(14)21(24)25/h5-8,11,18H,10H2,1-4H3/p+1
InChIKey HAQWCYROZVWVMD-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(=C(C(C(=C1C)C#[O+])C=1C(N(=O)=O)=CC=CC1)C(OCC(C)C)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS