ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009429
RECORD_TITLE: 1,6-DIMETHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,6-DIMETHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12O2
CH$EXACT_MASS: 188.08373
CH$SMILES: c(c3)cc(O1)c(c3)C(=O)C(C)(C2)C(C)12
CH$IUPAC: InChI=1S/C12H12O2/c1-11-7-12(11,2)14-9-6-4-3-5-8(9)10(11)13/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY IKUPBRUXXGSVLP-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-7L
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: splash10-0079-4900000000-a651409a5e7cf0c39ade
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  50 14 140
  51 16.1 161
  52 4.5 45
  53 13.5 135
  54 1.9 19
  55 2.5 25
  62 3.5 35
  63 1.7 17
  64 1.3 13
  65 31.1 311
  66 6.5 65
  67 20.5 205
  68 1.5 15
  69 12.5 125
  73 7.4 74
  75 4 40
  76 28 280
  77 14 140
  78 3 30
  79 1.5 15
  80 1 10
  85 1.5 15
  89 3 30
  90 1 10
  91 17 170
  92 13 130
  93 8 80
  94 4.4 44
  95 5 50
  102 3 30
  103 4 40
  104 20.1 201
  105 5 50
  106 1 10
  107 4 40
  114 1 10
  115 12.5 125
  116 4 40
  117 11 110
  118 5 50
  119 2 20
  120 3.9 39
  121 46.5 465
  122 6.5 65
  127 1 10
  128 1.5 15
  129 1.5 15
  130 1 10
  131 12 120
  132 3 30
  133 1 10
  141 1 10
  142 1.5 15
  143 2.5 25
  144 3 30
  145 49 490
  146 16 160
  147 6.5 65
  148 22.5 225
  149 1.5 15
  158 2 20
  159 19 190
  160 6 60
  161 2 20
  171 7 70
  172 3 30
  173 27 270
  174 5 50
  175 1 10
  187 10 100
  188 99.99 999
  189 44.5 445
  190 7 70
//
