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Nitrendipine MS3_1
SpectraBase Compound ID 5HClXOHQxNf
InChI InChI=1S/C17H16N2O5/c1-4-24-17(21)15-11(3)18-10(2)14(9-20)16(15)12-6-5-7-13(8-12)19(22)23/h5-8,16H,4H2,1-3H3/p+1
InChIKey UUQCCAPJPLOVFV-UHFFFAOYSA-O
Mol Weight 329.33 g/mol
Molecular Formula C17H17N2O5
Exact Mass 329.113747 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5zbojzZvbE
Name Nitrendipine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C17H16N2O5/c1-4-24-17(21)15-11(3)18-10(2)14(9-20)16(15)12-6-5-7-13(8-12)19(22)23/h5-8,16H,4H2,1-3H3/p+1
InChIKey UUQCCAPJPLOVFV-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(=C(C(C([C+]1C)=C=O)C=1C=C(C=CC1)N(=O)=O)C(OCC)=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