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Moclobemide-M (HO-alkyl) MS2
SpectraBase Compound ID JG888Cpes36
InChI InChI=1S/C13H17ClN2O3/c14-11-3-1-10(2-4-11)13(18)15-12(17)9-16-5-7-19-8-6-16/h1-4,12,17H,5-9H2,(H,15,18)
InChIKey CKRSTLFWGDUNSW-UHFFFAOYSA-N
Mol Weight 284.74 g/mol
Molecular Formula C13H17ClN2O3
Exact Mass 284.09277 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5wfAkPkf0Sr
Name Moclobemide-M (HO-alkyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-310.00]
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Formula C13H17ClN2O3
InChI InChI=1S/C13H17ClN2O3/c14-11-3-1-10(2-4-11)13(18)15-12(17)9-16-5-7-19-8-6-16/h1-4,12,17H,5-9H2,(H,15,18)
InChIKey CKRSTLFWGDUNSW-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(CN1CCOCC1)O)C(C=1C=CC(=CC1)Cl)=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