ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009435
RECORD_TITLE: 1,6-DIMETHYL-3,4-(5'-CHLOROBENZO)-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$NAME: 1,6-DIMETHYL-3,4-(5'-CHLOROBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11ClO2
CH$EXACT_MASS: 222.04476
CH$SMILES: Clc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C(C)12
CH$IUPAC: InChI=1S/C12H11ClO2/c1-11-6-12(11,2)15-9-5-7(13)3-4-8(9)10(11)14/h3-5H,6H2,1-2H3
CH$LINK: INCHIKEY JCJUWMGJSYDXDU-UHFFFAOYSA-N
AC$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: splash10-05fr-2950000000-a2a67e23442bdd44586f
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  53 12.5 125
  54 1.5 15
  60 1 10
  62 1.5 15
  63 14 140
  64 1.5 15
  65 5 50
  66 3 30
  67 16 160
  68 1.5 15
  69 4.5 45
  73 2 20
  74 3 30
  75 12.5 125
  76 2.5 25
  80 2 20
  89 2.5 25
  90 1 10
  91 3 30
  97 1.5 15
  98 2 20
  99 7 70
  101 1.5 15
  102 2 20
  110 12 120
  111 3 30
  112 6 60
  113 2 20
  115 10 100
  116 7 70
  117 2 20
  125 2 20
  126 4 40
  127 6 60
  128 24.5 245
  129 3 30
  130 6.5 65
  131 3 30
  132 1 10
  136 2 20
  137 3 30
  138 20 200
  139 2 20
  140 7 70
  141 2 20
  142 1 10
  143 1.5 15
  144 4 40
  145 13.5 135
  146 2.5 25
  154 7 70
  155 56.5 565
  156 7 70
  157 16.5 165
  158 4 40
  159 5 50
  160 3 30
  165 5 50
  166 1.5 15
  167 1 10
  168 1 10
  169 1 10
  177 2 20
  178 4.5 45
  179 32.5 325
  180 12.5 125
  181 10 100
  182 30 300
  183 3 30
  184 8 80
  187 3 30
  188 12.5 125
  189 3 30
  192 1.5 15
  193 12.5 125
  194 3.5 35
  195 4 40
  196 2 20
  197 2 20
  206 2 20
  207 25 250
  208 5 50
  209 12 120
  210 3 30
  211 1 10
  221 14.5 145
  222 99.99 999
  223 31 310
  224 34 340
  225 3 30
//
