ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009434
RECORD_TITLE: 6-METHYL-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$NAME: 6-METHYL-3,4-(5'-CHLOROBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₉ClO₂
CH$EXACT_MASS: 208.02911
CH$SMILES: Clc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C12
CH$IUPAC: InChI=1S/C11H9ClO2/c1-11-5-9(11)14-8-4-6(12)2-3-7(8)10(11)13/h2-4,9H,5H2,1H3
CH$LINK: INCHIKEY QXHWEEJMQGJQLJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101320216

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$SPLASH: splash10-0929-6920000000-a67f61c8f05797a60fac
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
  50 23 230
  51 21 210
  52 3 30
  53 38 380
  54 4 40
  55 4.5 45
  56 1.5 15
  57 1 10
  58 6 60
  59 1.5 15
  61 0.5 5
  62 11 110
  63 54 540
  64 9.5 95
  65 8 80
  66 3 30
  67 2 20
  68 1 10
  69 11 110
  71 3 30
  72 3.5 35
  73 8.5 85
  74 20 200
  75 49 490
  76 11 110
  77 10 100
  78 1.5 15
  79 1 10
  84 2 20
  85 4 40
  86 4.5 45
  87 4.5 45
  88 1 10
  89 8 80
  90 1 10
  91 20 200
  92 2.5 25
  93 1 10
  96 1 10
  97 4 40
  98 9 90
  99 12.5 125
  100 4 40
  101 9.5 95
  102 9 90
  103 2 20
  104 1 10
  105 6 60
  106 1 10
  107 1 10
  109 2 20
  110 34 340
  111 7 70
  112 14 140
  114 4 40
  115 22.5 225
  116 5 50
  117 10.5 105
  118 1 10
  119 2 20
  124 1 10
  125 2 20
  126 16 160
  127 2.5 25
  128 7 70
  129 1.5 15
  130 2.5 25
  131 1.5 15
  132 1.1 11
  134 1 10
  135 1 10
  136 2 20
  137 4 40
  138 31 310
  139 12 120
  140 10.5 105
  141 3 30
  143 1 10
  144 5 50
  145 24.5 245
  146 3 30
  147 1 10
  149 2 20
  151 1 10
  154 6 60
  155 14.5 145
  156 4.5 45
  157 3.5 35
  158 1 10
  165 45 450
  166 3.5 35
  167 16.5 165
  168 45 450
  169 4.5 45
  170 12.5 125
  171 2 20
  172 1 10
  173 5 50
  179 31 310
  180 5 50
  181 14.5 145
  182 3.5 35
  183 2 20
  193 8 80
  194 2 20
  195 3 30
  207 4 40
  208 99.99 999
  209 12.5 125
  210 34 340
  211 3 30
//