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Norverapamil
SpectraBase Compound ID L5nUTj7SOYd
InChI InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
InChIKey UPKQNCPKPOLASS-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H36N2O4
Exact Mass 440.267508 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ed9HUpt4K8m
Name Verapamil-M (nor-) MS2
Comments F: ITMS + c ESI d w Full ms2 [email protected] [110.00-455.00]
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Formula C26H36N2O4
InChI InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
InChIKey UPKQNCPKPOLASS-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCC1=CC(=C(C=C1)OC)OC)CCCC(C(C)C)(C1=CC(=C(C=C1)OC)OC)C#N
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS