ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009430
RECORD_TITLE: 6-METHYL-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$NAME: 6-METHYL-3,4-(5'-METHYLBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₂
CH$EXACT_MASS: 188.08373
CH$SMILES: Cc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C12
CH$IUPAC: InChI=1S/C12H12O2/c1-7-3-4-8-9(5-7)14-10-6-12(10,2)11(8)13/h3-5,10H,6H2,1-2H3
CH$LINK: INCHIKEY AYOLJEXZSUEOSM-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$SPLASH: splash10-000b-4900000000-c5f1c2d77ddd6e81f881
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  50 6.5 65
  51 23 230
  52 10 100
  53 15 150
  54 1 10
  55 6.5 65
  56 1 10
  57 1 10
  58 1 10
  59 5 50
  60 1.5 15
  61 1.5 15
  62 5 50
  63 17 170
  64 6.8 68
  65 12.5 125
  66 1.8 18
  67 1 10
  68 1 10
  69 1.9 19
  70 2 20
  73 1 10
  74 1 10
  75 1.8 18
  76 2 20
  77 16 160
  78 13 130
  79 12 120
  80 2 20
  81 1 10
  82 4 40
  83 16 160
  84 1 10
  85 1 10
  86 1 10
  87 1 10
  88 2 20
  89 12.5 125
  90 14.5 145
  91 20 200
  92 3 30
  93 1 10
  98 2 20
  99 1 10
  101 1 10
  102 2 20
  103 2 20
  104 1 10
  105 8 80
  106 7 70
  107 2.5 25
  108 2 20
  109 1 10
  111 1 10
  114 1 10
  115 12 120
  116 6 60
  117 8 80
  118 30.5 305
  119 10 100
  120 1 10
  127 2 20
  128 4 40
  129 3 30
  131 4 40
  132 3 30
  133 1 10
  134 5 50
  135 14.5 145
  136 2 20
  144 2 20
  145 56 560
  146 5 50
  147 3 30
  148 74 740
  149 2.5 25
  150 1.5 15
  157 1 10
  158 1.5 15
  159 36 360
  160 6 60
  161 5 50
  162 1 10
  163 1 10
  171 1 10
  172 1.5 15
  173 8 80
  174 1.5 15
  175 1 10
  186 1 10
  187 4.5 45
  188 99.99 999
  189 11 110
  190 1 10
//