ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009431
RECORD_TITLE: 1,6-DIMETHYL-3,4-(5'-METHYLBENZO)-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$NAME: 1,6-DIMETHYL-3,4-(5'-METHYLBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O2
CH$EXACT_MASS: 202.09938
CH$SMILES: Cc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C(C)12
CH$IUPAC: InChI=1S/C13H14O2/c1-8-4-5-9-10(6-8)15-13(3)7-12(13,2)11(9)14/h4-6H,7H2,1-3H3
CH$LINK: INCHIKEY NVDZXYOUPPJXIV-UHFFFAOYSA-N
AC$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: splash10-0k9i-5910000000-3a7b8940cab32f4dcac3
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  50 12 120
  51 26 260
  52 15 150
  53 24.5 245
  54 2 20
  55 5 50
  56 1 10
  57 1 10
  61 1 10
  62 7 70
  63 26 260
  64 8.5 85
  65 14.5 145
  66 1 10
  67 14 140
  68 1.5 15
  69 9.9 99
  73 1 10
  74 1.5 15
  75 4 40
  76 4.5 45
  77 38 380
  78 24 240
  79 12.5 125
  80 1 10
  85 1.5 15
  86 12.5 125
  87 5 50
  88 2 20
  89 41 410
  90 42.5 425
  91 32.5 325
  102 2 20
  103 3 30
  104 2 20
  105 12.5 125
  106 9.5 95
  107 20 200
  108 41.5 415
  109 3 30
  110 1 10
  115 21 210
  116 9.9 99
  117 3 30
  118 38 380
  119 6 60
  120 1.5 15
  121 5 50
  127 2 20
  128 7 70
  129 5 50
  130 2 20
  131 12.5 125
  132 3 30
  133 1 10
  134 5 50
  135 63 630
  136 5 50
  137 1 10
  138 2 20
  139 1 10
  140 1 10
  141 2 20
  142 1 10
  143 3 30
  144 4 40
  145 26 260
  146 5 50
  147 1 10
  157 5 50
  158 7 70
  159 96 960
  160 26 260
  161 13 130
  162 50 500
  163 5 50
  164 1 10
  165 4 40
  172 1 10
  173 29 290
  174 2 20
  175 1 10
  185 2 20
  186 1 10
  187 54.5 545
  188 6 60
  189 2 20
  201 8 80
  202 99.99 999
  203 16 160
  204 2 20
//
