ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009432
RECORD_TITLE: 6-METHYL-3,4-(5'-METHOXYBENZO)-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$NAME: 6-METHYL-3,4-(5'-METHOXYBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₃
CH$EXACT_MASS: 204.07864
CH$SMILES: COc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C12
CH$IUPAC: InChI=1S/C12H12O3/c1-12-6-10(12)15-9-5-7(14-2)3-4-8(9)11(12)13/h3-5,10H,6H2,1-2H3
CH$LINK: INCHIKEY YMAGECSHLQMIKM-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$SPLASH: splash10-0ik9-5910000000-fd316b287f683ce1a810
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  50 14 140
  51 32 320
  52 24 240
  53 27 270
  54 5 50
  55 8 80
  56 1.5 15
  57 5 50
  58 1 10
  59 1 10
  60 1 10
  61 2 20
  62 13 130
  63 76 760
  64 14 140
  65 12 120
  66 2 20
  67 1 10
  68 1 10
  69 12.5 125
  70 2 20
  71 2.5 25
  72 1 10
  73 1 10
  74 5 50
  75 12.5 125
  76 7 70
  77 12 120
  78 10 100
  79 14.5 145
  80 4.5 45
  81 3 30
  82 1 10
  83 2 20
  84 1 10
  85 1.5 15
  86 1 10
  87 1.5 15
  88 3 30
  89 5 50
  90 4.5 45
  91 12 120
  92 11 110
  93 3 30
  94 2 20
  95 6 60
  96 1.5 15
  97 2 20
  101 1 10
  102 2 20
  103 8 80
  104 2 20
  105 8 80
  106 71 710
  107 22 220
  108 8 80
  109 1 10
  111 1 10
  115 11 110
  116 4 40
  117 3.5 35
  118 8 80
  119 4 40
  120 3 30
  121 4 40
  122 10 100
  123 2 20
  124 1.5 15
  125 1 10
  131 1 10
  132 3 30
  133 9 90
  134 62.5 625
  135 18.5 185
  136 2 20
  137 1 10
  143 1 10
  144 1.5 15
  145 5 50
  146 4.5 45
  147 4 40
  148 2 20
  149 13 130
  150 8 80
  151 19 190
  152 2 20
  159 6 60
  160 7 70
  161 92 920
  162 21 210
  163 19 190
  164 88 880
  165 20 200
  166 2.5 25
  173 2 20
  174 1 10
  175 46 460
  176 11.5 115
  177 5 50
  178 1 10
  187 1 10
  188 1 10
  189 24.5 245
  190 2 20
  203 6 60
  204 99.99 999
  205 11.5 115
  206 1 10
//