MassBank Record: JP000960



 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 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //