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Zofenopril MS3_1
SpectraBase Compound ID ITAUH3YKeNt
InChI InChI=1S/C15H17NO2S2/c1-11(10-19)8-16-9-13(7-14(16)15(17)18)20-12-5-3-2-4-6-12/h2-6,8,10,13-14,19H,7,9H2,1H3/p+1/b11-8+
InChIKey DPRNRFZNXBBYPG-DHZHZOJOSA-O
Mol Weight 308.43 g/mol
Molecular Formula C15H18NO2S2
Exact Mass 308.077896 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2I6QPhElZ6T
Name Zofenopril MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-320.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C15H17NO2S2/c1-11(10-19)8-16-9-13(7-14(16)15(17)18)20-12-5-3-2-4-6-12/h2-6,8,10,13-14,19H,7,9H2,1H3/p+1/b11-8+
InChIKey DPRNRFZNXBBYPG-DHZHZOJOSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C1N(\C=C\([CH+]S)C)CC(C1)SC1=CC=CC=C1)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS