ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000960
RECORD_TITLE: 1,2,3,4,10,10-HEXACHLORO-6,7-EPOXY-1,4,4A,5,6,7,8,8A-OCTAHYDRO-ENDO,ENDO-,1,4:5,8-DIMETHANONAPHTHALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3,4,10,10-HEXACHLORO-6,7-EPOXY-1,4,4A,5,6,7,8,8A-OCTAHYDRO-ENDO,ENDO-,1,4:5,8-DIMETHANONAPHTHALENE
CH$NAME: ENDRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈Cl₆O
CH$EXACT_MASS: 377.87063
CH$SMILES: ClC(=C(Cl)1)C(Cl)(C(Cl)(Cl)2)C([H])(C([H])54)C([H])(C([H])(C5)C([H])(O3)C([H])34)C(Cl)12
CH$IUPAC: InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+
CH$LINK: CAS 72-20-8
CH$LINK: INCHIKEY DFBKLUNHFCTMDC-GKRDHZSOSA-N
CH$LINK: COMPTOX DTXSID6020561

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-014i-9853000000-1dea6686531cd948b9c7
PK$NUM_PEAK: 219
PK$PEAK: m/z int. rel.int.
  50 11.9 119
  51 17.4 174
  52 3.3 33
  53 0.71 7
  54 2.2 22
  55 18.2 182
  56 3 30
  57 0.42 4
  60 3.5 35
  61 6.5 65
  62 10.3 103
  63 1.99 20
  64 2.5 25
  65 17.1 171
  66 23.8 238
  67 99.99 999
  68 10.9 109
  69 9.2 92
  71 2.6 26
  72 0.44 4
  73 28.9 289
  74 17.1 171
  75 26.5 265
  76 0.44 4
  77 24.6 246
  78 4.8 48
  79 18.3 183
  80 0.36 4
  81 6.1 61
  82 5.4 54
  83 55.6 556
  84 0.76 8
  85 45.7 457
  86 15.7 157
  87 20.4 204
  88 0.49 5
  89 6.3 63
  91 4.9 49
  93 2.4 24
  94 0.36 4
  95 7.7 77
  96 8.5 85
  97 9.6 96
  98 1.63 16
  99 16.3 163
  100 5.6 56
  101 19.1 191
  102 0.7 7
  103 10.4 104
  104 11.5 115
  105 9.2 92
  106 0.48 5
  107 13.2 132
  108 11.2 112
  109 16.4 164
  110 0.59 6
  111 16.6 166
  112 5.2 52
  113 20.6 206
  114 0.49 5
  115 8.7 87
  117 4.2 42
  118 3.2 32
  119 0.57 6
  120 4.8 48
  121 8.4 84
  122 8.9 89
  123 1.04 10
  124 3.2 32
  125 4.7 47
  126 4.8 48
  127 0.39 4
  128 2.1 21
  129 4.5 45
  131 4.1 41
  132 0.22 2
  133 12.4 124
  134 3.7 37
  135 9.5 95
  136 0.72 7
  137 12.3 123
  138 9.4 94
  139 24.6 246
  140 0.62 6
  141 5 50
  143 5.6 56
  145 7.3 73
  146 0.48 5
  147 22.5 225
  148 6.9 69
  149 28.2 282
  150 0.4 4
  151 5.6 56
  155 2.2 22
  157 3.9 39
  159 0.74 7
  160 3.8 38
  161 5.3 53
  162 5.6 56
  163 0.41 4
  164 3.2 32
  167 5.5 55
  168 2.6 26
  169 0.75 8
  170 7.3 73
  171 7.2 72
  172 6.2 62
  173 1.91 19
  174 6.7 67
  175 16.2 162
  176 3.5 35
  177 0.65 7
  178 2.8 28
  179 2.9 29
  180 7.2 72
  181 0.84 8
  182 9.5 95
  183 14 140
  184 5.1 51
  185 1.2 12
  186 2.5 25
  187 5.4 54
  191 4.4 44
  193 1.24 12
  194 5.2 52
  195 11.3 113
  196 9.6 96
  197 0.78 8
  198 6.8 68
  199 3.3 33
  201 2.7 27
  203 0.36 4
  204 3.2 32
  205 3.6 36
  206 5.9 59
  207 3.16 32
  208 11.9 119
  209 28.2 282
  210 9.1 91
  211 1.69 17
  212 3.9 39
  213 4.9 49
  214 6 60
  215 0.47 5
  216 7.2 72
  217 12 120
  218 5.3 53
  219 1.13 11
  220 3.4 34
  221 6 60
  223 2.4 24
  227 0.27 3
  229 3.6 36
  230 3.2 32
  231 3.6 36
  232 0.35 4
  236 2.4 24
  237 2.8 28
  238 2.9 29
  239 0.26 3
  241 3.2 32
  242 2.4 24
  243 18 180
  244 0.95 10
  245 21.5 215
  246 10.1 101
  247 8.5 85
  248 2.51 25
  249 5.4 54
  250 36.1 361
  251 7.6 76
  252 2.28 23
  253 7 70
  254 9.4 94
  255 3.8 38
  256 0.32 3
  257 2 20
  258 2.9 29
  259 2.2 22
  261 0.26 3
  263 3.5 35
  265 3.9 39
  267 3.4 34
  271 0.28 3
  273 3.1 31
  275 2.5 25
  277 3.5 35
  278 0.59 6
  279 17.3 173
  280 7.8 78
  281 25.5 255
  282 0.76 8
  283 12.7 127
  284 2.8 28
  285 3.7 37
  307 0.45 5
  309 5.6 56
  311 4.5 45
  313 3 30
  315 3.33 33
  316 5.5 55
  317 50.8 508
  318 7 70
  319 3.37 34
  320 9.1 91
  323 2.1 21
  343 21.7 217
  344 0.51 5
  345 35.6 356
  346 5.9 59
  347 24.5 245
  348 0.3 3
  349 7.1 71
  350 2.8 28
  352 2.8 28
  354 0.22 2
  378 2.8 28
  380 6 60
  382 4.8 48
//