ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006747
RECORD_TITLE: 1,6-DIMETHYL-3,4-(5'-METHOXY)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: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,6-DIMETHYL-3,4-(5'-METHOXY)BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$NAME: 2,3-DIMETHYL-7-METHOXY-2,3-METHANOCHROMAN-4-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$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0wmi-8920000000-372c5016931c281ae0ba
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  38 11 110
  39 55 550
  40 12 120
  41 0.66 7
  42 7 70
  43 69 690
  50 18 180
  51 0.4 4
  52 16 160
  53 32 320
  54 7 70
  55 0.18 2
  56 6 60
  57 17 170
  61 6 60
  62 0.17 2
  63 87 870
  64 18 180
  65 18 180
  66 0.07 1
  67 13 130
  69 18 180
  71 9 90
  72 0.05 1
  73 7 70
  74 15 150
  75 32 320
  76 0.12 1
  77 26 260
  78 14 140
  79 22 220
  80 0.08 1
  81 8 80
  82 5 50
  83 7 70
  85 0.06 1
  87 5 50
  89 12 120
  90 8 80
  91 0.26 3
  92 11 110
  93 6 60
  94 11 110
  95 0.18 2
  97 6 60
  98 7 70
  99 7 70
  101 0.06 1
  102 7 70
  103 11 110
  104 6 60
  105 0.07 1
  106 53 530
  107 18 180
  108 13 130
  110 0.16 2
  111 7 70
  112 7 70
  115 23 230
  116 0.1 1
  117 11 110
  118 7 70
  119 8 80
  121 0.06 1
  122 9 90
  124 16 160
  126 9 90
  127 0.06 1
  128 8 80
  131 9 90
  132 11 110
  133 0.06 1
  134 47 470
  135 12 120
  137 13 130
  138 0.16 2
  139 6 60
  140 6 60
  144 6 60
  145 0.19 2
  146 9 90
  147 10 100
  148 8 80
  149 0.08 1
  150 5 50
  151 79 790
  152 8 80
  155 0.08 1
  159 10 100
  160 8 80
  161 26 260
  163 0.09 1
  164 5 50
  165 21 210
  167 8 80
  168 0.19 2
  170 6 60
  173 7 70
  174 5 50
  175 0.71 7
  176 25 250
  177 10 100
  178 57 570
  179 0.21 2
  181 6 60
  188 9 90
  189 22 220
  190 0.06 1
  193 5 50
  203 39 390
  204 16 160
  217 0.08 1
  218 99.99 999
  219 16 160
  220 1 10
//
