MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004635

1-PHENYL-5-METHYLBICYCLO(3.2.2)NON-6-EN-2ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004635
RECORD_TITLE: 1-PHENYL-5-METHYLBICYCLO(3.2.2)NON-6-EN-2ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1-PHENYL-5-METHYLBICYCLO(3.2.2)NON-6-EN-2ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₈O
CH$EXACT_MASS: 226.13577
CH$SMILES: c(c3)ccc(c3)C(C2)(C=1)C(=O)CCC(C)(C2)C1
CH$IUPAC: InChI=1S/C16H18O/c1-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3
CH$LINK: INCHIKEY PNLJJKHZUGLECP-UHFFFAOYSA-N

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AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00di-1920000000-c3fbc834ad9ce747b7d3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  18 18.3 183
  91 14.5 145
  128 6.2 62
  129 0.51 5
  141 5 50
  142 6 60
  154 8 80
  155 6.62 66
  156 9.4 94
  167 7.6 76
  168 21.5 215
  169 4.15 42
  170 99.99 999
  171 14.8 148
  182 7.9 79
  198 0.79 8
  211 8 80
  226 45.8 458
  227 8.1 81
//