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Lacidipine-M (dehydro-) MS2
SpectraBase Compound ID BrByC799oGY
InChI InChI=1S/C26H31NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-12-10-11-18(15-19)13-14-20(28)33-26(5,6)7/h10-15H,8-9H2,1-7H3/b14-13+
InChIKey GHNKJYWSGKHRSB-BUHFOSPRSA-N
Mol Weight 453.54 g/mol
Molecular Formula C26H31NO6
Exact Mass 453.215138 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 1yWb021PFJ4
Name Lacidipine-M (dehydro-) MS2
Comments F: ITMS + c ESI d w Full ms2 454.10
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Formula C26H31NO6
InChI InChI=1S/C26H31NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-12-10-11-18(15-19)13-14-20(28)33-26(5,6)7/h10-15H,8-9H2,1-7H3/b14-13+
InChIKey GHNKJYWSGKHRSB-BUHFOSPRSA-N
Ion Polarity P
Ionization Type ESI
SMILES CCOC(C=1C(=C(C(=NC1C)C)C(=O)OCC)C1=CC(=CC=C1)\C=C\C(OC(C)(C)C)=O)=O
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