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Felodipine MS3_2
SpectraBase Compound ID wRkrLlR5Jy
InChI InChI=1S/C16H13Cl2NO3/c1-8-11(7-20)14(10-5-4-6-12(17)15(10)18)13(9(2)19-8)16(21)22-3/h4-6,14H,1-3H3/p+1
InChIKey DXWXKWPITDEBIJ-UHFFFAOYSA-O
Mol Weight 339.2 g/mol
Molecular Formula C16H14Cl2NO3
Exact Mass 338.035074 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 67kUgKoNKx9
Name Felodipine MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-350.00]
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InChI InChI=1S/C16H13Cl2NO3/c1-8-11(7-20)14(10-5-4-6-12(17)15(10)18)13(9(2)19-8)16(21)22-3/h4-6,14H,1-3H3/p+1
InChIKey DXWXKWPITDEBIJ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(=C(C(C(=C1C)[C+]=O)C1=C(C(Cl)=CC=C1)Cl)C(=O)OC)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