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Benazeprilate-M (HO-) MS2
SpectraBase Compound ID K56h7WDrbBd
InChI InChI=1S/C22H24N2O6/c25-16-9-5-14(6-10-16)7-11-18(22(29)30)23-17-12-8-15-3-1-2-4-19(15)24(21(17)28)13-20(26)27/h1-6,9-10,17-18,23,25H,7-8,11-13H2,(H,26,27)(H,29,30)
InChIKey XYKUMYKJQKNZMR-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C22H24N2O6
Exact Mass 412.163436 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Hfc9aSZKv4Y
Name Benazepril-M (deethyl-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 413.25
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Formula C22H24N2O6
InChI InChI=1S/C22H24N2O6/c25-16-9-5-14(6-10-16)7-11-18(22(29)30)23-17-12-8-15-3-1-2-4-19(15)24(21(17)28)13-20(26)27/h1-6,9-10,17-18,23,25H,7-8,11-13H2,(H,26,27)(H,29,30)
InChIKey XYKUMYKJQKNZMR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(CCC=1C=CC(=CC1)O)NC1CCC2=C(N(CC(=O)O)C1=O)C=CC=C2)=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