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Moclobemide-M (HO-ring) MS3_1
SpectraBase Compound ID 9TzNDr6K6Cn
InChI InChI=1S/C9H8ClNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h2-6H,1H2,(H,11,12)/p+1
InChIKey LYTQBKIZPOFQKL-UHFFFAOYSA-O
Mol Weight 182.63 g/mol
Molecular Formula C9H9ClNO
Exact Mass 182.037267 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Fn4HlaPK30b
Name Moclobemide-M (deethyl-alcohol) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C9H8ClNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h2-6H,1H2,(H,11,12)/p+1
InChIKey LYTQBKIZPOFQKL-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(=[OH+])C=1C=CC(=CC1)Cl)C=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS