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Methedrone-M (bis-demethyl-HO-) isomer 1 MS2
SpectraBase Compound ID 3HEHRGdeYm
InChI InChI=1S/C9H11NO3/c1-6(10-13)9(12)7-2-4-8(11)5-3-7/h2-6,10-11,13H,1H3
InChIKey QCDMDCWOZNIITN-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DzEJ1BvQ2kW
Name Methedrone-M (bis-demethyl-HO-) isomer 1 MS2
Comments F: ITMS + c ESI d w Full ms2 182.10
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Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-6(10-13)9(12)7-2-4-8(11)5-3-7/h2-6,10-11,13H,1H3
InChIKey QCDMDCWOZNIITN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C(C(C(NO)C)=O)C=C1
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