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Moexipril MS2
SpectraBase Compound ID JrXwWCFG2Yx
InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-14-13-19-15-22(34-3)23(35-4)16-20(19)24(29)26(31)32/h6-10,15-17,21,24,28H,5,11-14H2,1-4H3,(H,31,32)
InChIKey JSUPAHNXYKYWBD-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C27H34N2O7
Exact Mass 498.236601 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5UdCt8g2oC
Name Moexipril MS2
Comments F: ITMS + c ESI d w Full ms2 499.10
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Formula C27H34N2O7
InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-14-13-19-15-22(34-3)23(35-4)16-20(19)24(29)26(31)32/h6-10,15-17,21,24,28H,5,11-14H2,1-4H3,(H,31,32)
InChIKey JSUPAHNXYKYWBD-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(CCC1=CC=CC=C1)C(=O)OCC)C(C(N1C(C(=O)O)C2=C(CC1)C=C(C(=C2)OC)OC)=O)C
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS