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Felodipine
SpectraBase Compound ID CDl5i8raJVT
InChI InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
InChIKey RZTAMFZIAATZDJ-UHFFFAOYSA-N
Mol Weight 384.26 g/mol
Molecular Formula C18H19Cl2NO4
Exact Mass 383.069113 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Z9EMGLOIs2
Name Felodipine_neg
CAS Registry Number 72509-76-3
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-410.00]
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Formula C18H19Cl2NO4
InChI InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
InChIKey RZTAMFZIAATZDJ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES N1C(=C(C(C(=C1C)C(=O)OC)C1=C(C(Cl)=CC=C1)Cl)C(=O)OCC)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge -1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD