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N-Desmethyl-ioperamide
SpectraBase Compound ID 6792MoKpy70
InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
InChIKey ZMOPTLXEYOVARP-UHFFFAOYSA-N
Mol Weight 463.02 g/mol
Molecular Formula C28H31ClN2O2
Exact Mass 462.207406 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8bapUa2Anvf
Name Loperamide-M (nor-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-490.00]
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Formula C28H31ClN2O2
InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
InChIKey ZMOPTLXEYOVARP-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C)C(C(CCN1CCC(C2=CC=C(Cl)C=C2)(CC1)O)(C=1C=CC=CC1)C1=CC=CC=C1)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD