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Azaperone-M (HO-ring cleveage) MS2
SpectraBase Compound ID L5cjVlLDSyi
InChI InChI=1S/C19H24FN3O2/c20-17-8-6-16(7-9-17)18(25)4-3-10-21-12-13-23(14-15-24)19-5-1-2-11-22-19/h1-2,5-9,11,21,24H,3-4,10,12-15H2
InChIKey HZRCQDCXJHFTNL-UHFFFAOYSA-N
Mol Weight 345.42 g/mol
Molecular Formula C19H24FN3O2
Exact Mass 345.185255 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 89U8NUerQW
Name Azaperone-M (HO-ring cleveage) MS2
Comments F: ITMS + c ESI d w Full ms2 346.31
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Formula C19H24FN3O2
InChI InChI=1S/C19H24FN3O2/c20-17-8-6-16(7-9-17)18(25)4-3-10-21-12-13-23(14-15-24)19-5-1-2-11-22-19/h1-2,5-9,11,21,24H,3-4,10,12-15H2
InChIKey HZRCQDCXJHFTNL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCCC(C=1C=CC(F)=CC1)=O)CCN(CCO)C1=CC=CC=N1
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 ms2
Technique ITMS