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Benazeprilate MS2
SpectraBase Compound ID 3nxqeotGJd3
InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)
InChIKey MADRIHWFJGRSBP-UHFFFAOYSA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7e3cbEPkOc4
Name Benazepril-M (deethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 397.10
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Formula C22H24N2O5
InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)
InChIKey MADRIHWFJGRSBP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(NC1C(N(CC(=O)O)C2=C(CC1)C=CC=C2)=O)CCC=1C=CC=CC1)=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