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Naphyrone MS3_1
SpectraBase Compound ID Hzw0e3p6jze
InChI InChI=1S/C15H15O/c1-2-3-8-15(16)14-10-9-12-6-4-5-7-13(12)11-14/h4-11H,2-3H2,1H3/q+1
InChIKey WXBYWUOHHYUNMA-UHFFFAOYSA-N
Mol Weight 211.28 g/mol
Molecular Formula C15H15O
Exact Mass 211.11229 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6y6GpzgxJRq
Name Naphyrone-M (oxo-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-225.00]
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InChI InChI=1S/C15H15O/c1-2-3-8-15(16)14-10-9-12-6-4-5-7-13(12)11-14/h4-11H,2-3H2,1H3/q+1
InChIKey WXBYWUOHHYUNMA-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](C(C=1C=CC=2C(C1)=CC=CC2)=O)CCC
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