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3-(hydroxymethyl)-4-isopropyl-2-methyl-1-phenyl-3-pyrazolin-5-one
SpectraBase Compound ID 48Osmmf6w2O
InChI InChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)15(3)16(14(13)18)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKey DGXFYROLSAYIBJ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C14H18N2O2
Exact Mass 246.136828 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 89Lp9oErbhI
Name Famprofazone-M (HO-propyphenazone) MS2
Comments F: ITMS + c ESI d w Full ms2 247.10
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Formula C14H18N2O2
InChI InChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)15(3)16(14(13)18)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKey DGXFYROLSAYIBJ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OCC=1N(C)N(C(C1C(C)C)=O)C=1C=CC=CC1
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