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1-Phenyl-3-pyrrolidinopropan-1-one MS2
SpectraBase Compound ID HdfqXeVQKVb
InChI InChI=1S/C13H17NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-7H,4-5,8-11H2
InChIKey WRSWNYCNECGVNL-UHFFFAOYSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3YOm8XoQwsh
Name 1-Phenyl-3-pyrrolidinopropan-1-one MS2
Comments F: ITMS + c ESI d w Full ms2 204.10
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Formula C13H17NO
InChI InChI=1S/C13H17NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-7H,4-5,8-11H2
InChIKey WRSWNYCNECGVNL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=CC=CC=C1C(CCN1CCCC1)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS