ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006351
RECORD_TITLE: 1-ACETYL-4,4-ETHYLENEDIOXYCYCLOHEXENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-ACETYL-4,4-ETHYLENEDIOXYCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O3
CH$EXACT_MASS: 182.09429
CH$SMILES: CC(=O)C(C1)=C([H])CC(O2)(OCC2)C1
CH$IUPAC: InChI=1S/C10H14O3/c1-8(11)9-2-4-10(5-3-9)12-6-7-13-10/h2H,3-7H2,1H3
CH$LINK: INCHIKEY VKNUGMHPVXDEJF-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-053f-9500000000-4f91d05973d2ca16b5ba
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  31 3.64 36
  37 8.65 87
  38 7.86 79
  39 31.97 320
  40 3.49 35
  41 18.75 188
  42 75.35 754
  44 16.19 162
  45 5.95 60
  51 4.35 44
  52 4.27 43
  53 15.74 157
  54 2.79 28
  55 6.52 65
  57 8.02 80
  58 71.15 712
  59 7.23 72
  65 7.8 78
  66 4.62 46
  67 10.38 104
  73 7.93 79
  77 9.86 99
  81 7.6 76
  83 3.09 31
  85 2.27 23
  87 28.97 290
  88 4.37 44
  94 6.65 67
  95 23.56 236
  96 4.39 44
  99 9.76 98
  108 3.56 36
  109 23.46 235
  110 13.04 130
  121 4.85 49
  123 7.78 78
  125 2.24 22
  136 4.22 42
  137 12.01 120
  138 2.47 25
  139 7.68 77
  140 2.62 26
  151 7.96 80
  152 10.24 102
  154 11.31 113
  167 29.52 295
  168 2.54 25
  182 99.99 999
  183 11.58 116
  184 2.02 20
//
