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Moexiprilate-M (O-demethyl-) MS2
SpectraBase Compound ID 2fSZOvfPXUs
InChI InChI=1S/C24H28N2O7/c1-14(25-18(23(29)30)9-8-15-6-4-3-5-7-15)22(28)26-11-10-16-12-20(33-2)19(27)13-17(16)21(26)24(31)32/h3-7,12-14,18,21,25,27H,8-11H2,1-2H3,(H,29,30)(H,31,32)
InChIKey AHIZMQXAPDFIIY-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C24H28N2O7
Exact Mass 456.189651 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2lU88arbE0u
Name Moexiprilate-M (O-demethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 457.10
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Formula C24H28N2O7
InChI InChI=1S/C24H28N2O7/c1-14(25-18(23(29)30)9-8-15-6-4-3-5-7-15)22(28)26-11-10-16-12-20(33-2)19(27)13-17(16)21(26)24(31)32/h3-7,12-14,18,21,25,27H,8-11H2,1-2H3,(H,29,30)(H,31,32)
InChIKey AHIZMQXAPDFIIY-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(CCC1=CC=CC=C1)NC(C(N1C(C(=O)O)C2=C(CC1)C=C(C(=C2)O)OC)=O)C)=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