ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009433
RECORD_TITLE: 1,6-DIMETHYL-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$NAME: 1,6-DIMETHYL-3,4-(5'-METHOXYBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O3
CH$EXACT_MASS: 218.09429
CH$SMILES: COc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C(C)12
CH$IUPAC: InChI=1S/C13H14O3/c1-12-7-13(12,2)16-10-6-8(15-3)4-5-9(10)11(12)14/h4-6H,7H2,1-3H3
CH$LINK: INCHIKEY LUPDDXPOCMRECU-UHFFFAOYSA-N
AC$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: splash10-0hk9-5910000000-84aae4440a9bcc7353fa
PK$NUM_PEAK: 140
PK$PEAK: m/z int. rel.int.
  50 16 160
  51 40 400
  52 12 120
  53 31 310
  54 9 90
  55 16 160
  56 4 40
  57 12.5 125
  58 3 30
  59 1 10
  60 1 10
  61 7 70
  62 17 170
  63 86 860
  64 17 170
  65 18 180
  66 3 30
  67 10 100
  68 2 20
  69 16 160
  70 3 30
  71 6.5 65
  72 3.5 35
  73 6 60
  74 14 140
  75 30 300
  76 6 60
  77 24.5 245
  78 6.5 65
  79 12 120
  80 2 20
  81 1 10
  82 1 10
  83 2 20
  84 1 10
  85 1.5 15
  86 2 20
  87 1 10
  88 2.5 25
  89 8 80
  90 2 20
  91 26 260
  92 10 100
  93 5 50
  94 9.5 95
  95 16.5 165
  96 2 20
  97 4 40
  98 2 20
  99 1.5 15
  100 3 30
  101 4.5 45
  102 4 40
  103 12.5 125
  104 5 50
  105 7 70
  106 54 540
  107 14 140
  108 12 120
  109 3 30
  110 17 170
  111 5 50
  112 6 60
  113 4 40
  114 2 20
  115 23 230
  116 5 50
  117 11 110
  118 4 40
  119 5 50
  120 3 30
  121 2.5 25
  122 8 80
  123 5 50
  124 15 150
  125 5 50
  126 9 90
  127 5 50
  128 6 60
  129 3 30
  130 2 20
  131 8 80
  132 12 120
  133 2 20
  134 44.5 445
  135 11.5 115
  136 3.5 35
  137 12.5 125
  138 16 160
  139 3 30
  140 2.5 25
  143 2 20
  144 4.5 45
  145 18.5 185
  146 7.5 75
  147 9 90
  148 5 50
  149 3 30
  150 2.5 25
  151 76 760
  152 7 70
  153 2 20
  154 2.5 25
  155 6 60
  156 1.5 15
  157 2 20
  158 2 20
  159 9 90
  160 6 60
  161 22.5 225
  162 2 20
  163 7 70
  164 3 30
  165 20 200
  166 3 30
  167 6 60
  168 18 180
  169 1.5 15
  175 70 700
  176 25 250
  177 10 100
  178 56.5 565
  179 20 200
  180 3 30
  181 5 50
  182 1.5 15
  183 1 10
  187 1.5 15
  188 6 60
  189 21.5 215
  190 4 40
  191 1.5 15
  202 1.5 15
  203 18 180
  204 16 160
  205 3 30
  217 8 80
  218 99.99 999
  219 14.5 145
  220 1.5 15
//
