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Nefazodone-M (O-debenzyl-HO-) isomer 2 MS3_2
SpectraBase Compound ID 8CSKveemZlN
InChI InChI=1S/C7H11N3O3/c1-2-6-8-10(5-12)7(13)9(6)3-4-11/h5,11H,2-4H2,1H3/p+1
InChIKey JFUCXKMLWINMTE-UHFFFAOYSA-O
Mol Weight 186.19 g/mol
Molecular Formula C7H12N3O3
Exact Mass 186.087866 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ej1lzVy0VQL
Name Nefazodone-M (O-debenzyl-HO-) isomer 2 MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C7H11N3O3/c1-2-6-8-10(5-12)7(13)9(6)3-4-11/h5,11H,2-4H2,1H3/p+1
InChIKey JFUCXKMLWINMTE-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OCCN1C(\[N+](=C/O)N=C1CC)=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 ms3
Technique ITMS