ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004856
RECORD_TITLE: 1-PHENYL-5-METHOXYBICYCLO(3.2.2)NON-6-EN-2-ONE; 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
CH$NAME: 1-PHENYL-5-METHOXYBICYCLO(3.2.2)NON-6-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H18O2
CH$EXACT_MASS: 242.13068
CH$SMILES: COC(C2)(C3)C=CC(C3)(C(=O)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H18O2/c1-18-15-8-7-14(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$LINK: INCHIKEY FZJQRWLZGFRJBS-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0903-0970000000-7763258703a05c8cf10b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  32 3.2 32
  56 3.2 32
  57 4.6 46
  88 2.76 28
  91 7 70
  94 3.5 35
  107 5.4 54
  109 0.97 10
  110 3.2 32
  121 5.9 59
  122 4.9 49
  123 0.49 5
  124 3.2 32
  126 3.2 32
  130 3.2 32
  133 0.59 6
  134 3.5 35
  140 3.2 32
  141 4.9 49
  142 0.32 3
  149 4.9 49
  150 7.3 73
  151 3.2 32
  153 0.54 5
  154 24.3 243
  155 31.9 319
  156 37.8 378
  157 0.46 5
  164 5.9 59
  167 22.2 222
  168 73 730
  169 4 40
  170 5.9 59
  171 3.5 35
  179 3.2 32
  180 0.35 4
  181 3.6 36
  182 12.4 124
  183 10 100
  184 0.76 8
  185 9.5 95
  186 4.3 43
  187 3.2 32
  192 1.16 12
  193 7.6 76
  196 3.2 32
  209 19.7 197
  210 99.99 999
  211 26.2 262
  214 7 70
  224 5.9 59
  227 0.32 3
  228 4.9 49
  242 95.1 951
  243 16.2 162
  244 3.2 32
//
