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Verapamil-M (nor-) MS3_1
SpectraBase Compound ID JTnrtEq5JPF
InChI InChI=1S/C17H25N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,3,6,9-10H2,1-2,4-5H3/q+1
InChIKey YQGVCERPWRCNAH-UHFFFAOYSA-N
Mol Weight 289.4 g/mol
Molecular Formula C17H25N2O2
Exact Mass 289.191603 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9zNGgudXPXR
Name Verapamil-M (nor-glucuronide) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-300.00]
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InChI InChI=1S/C17H25N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,3,6,9-10H2,1-2,4-5H3/q+1
InChIKey YQGVCERPWRCNAH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N([CH2+])CCCC(C1=CC(=C(C=C1)OC)OC)(C#N)C(C)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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS