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Nisoldipine
SpectraBase Compound ID ApR54LMrOGW
InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
InChIKey VKQFCGNPDRICFG-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C20H24N2O6
Exact Mass 388.163436 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID OOt2fQk3ev
Name Nisoldipine
CAS Registry Number 63675-72-9
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-415.00]
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Formula C20H24N2O6
InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
InChIKey VKQFCGNPDRICFG-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C(=C(C(C(=C1C)C(OCC(C)C)=O)C=1C(N(=O)=O)=CC=CC1)C(=O)OC)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