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Lacidipine-M (dehydro-O-deethyl-) MS2
SpectraBase Compound ID AtkEpK2hcq7
InChI InChI=1S/C24H27NO6/c1-7-30-23(29)20-15(3)25-14(2)19(22(27)28)21(20)17-10-8-9-16(13-17)11-12-18(26)31-24(4,5)6/h8-13H,7H2,1-6H3,(H,27,28)/b12-11+
InChIKey LNNDGAMIPWZCSH-VAWYXSNFSA-N
Mol Weight 425.48 g/mol
Molecular Formula C24H27NO6
Exact Mass 425.183838 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 14gp843al0J
Name Lacidipine-M (dehydro-O-deethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 426.10
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Formula C24H27NO6
InChI InChI=1S/C24H27NO6/c1-7-30-23(29)20-15(3)25-14(2)19(22(27)28)21(20)17-10-8-9-16(13-17)11-12-18(26)31-24(4,5)6/h8-13H,7H2,1-6H3,(H,27,28)/b12-11+
InChIKey LNNDGAMIPWZCSH-VAWYXSNFSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(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