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Quinaprilate MS2
SpectraBase Compound ID LZ0udULGHpA
InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)
InChIKey FLSLEGPOVLMJMN-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C23H26N2O5
Exact Mass 410.184172 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 71PrIwdfgMe
Name Quinapril-M (deethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 411.10
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Formula C23H26N2O5
InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)
InChIKey FLSLEGPOVLMJMN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(CCC1=CC=CC=C1)NC(C(N1C(C(=O)O)CC2=C(C1)C=CC=C2)=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