MassBank Record: JP000972



 1,4,5,6,7,8,8-HEPTACHLORO-3A,4,7,7A-TETRAHYDRO-4,7-METHANOINDENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000972
RECORD_TITLE: 1,4,5,6,7,8,8-HEPTACHLORO-3A,4,7,7A-TETRAHYDRO-4,7-METHANOINDENE; 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$NAME: 1,4,5,6,7,8,8-HEPTACHLORO-3A,4,7,7A-TETRAHYDRO-4,7-METHANOINDENE CH$NAME: HEPTACHLOR CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H5Cl7 CH$EXACT_MASS: 369.82109 CH$SMILES: [H]C(=C([H])3)C(Cl)C(C31)C(Cl)(C(Cl)=2)C(Cl)(Cl)C(Cl)(C(Cl)2)1 CH$IUPAC: InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H CH$LINK: CAS 76-44-8
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$SPLASH: splash10-0uk9-4960000000-c6b20243c40e209f4664 PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 49 3.9 39 50 6 60 51 5.9 59 60 0.24 2 61 7.1 71 62 6.3 63 63 9.7 97 64 0.38 4 65 47.8 478 66 7.3 73 72 2.2 22 73 1.03 10 74 7.2 72 75 8.2 82 83 2.4 24 85 0.79 8 86 5.1 51 87 2.5 25 95 3 30 96 0.43 4 97 11 110 98 10.4 104 99 10.5 105 100 99.99 999 101 7.4 74 102 34.1 341 103 3 30 106 0.21 2 107 2.9 29 108 6.6 66 109 5.9 59 110 0.3 3 111 3.4 34 114 4.4 44 115 6.5 65 116 0.41 4 117 5.7 57 119 6.1 61 120 5.8 58 121 0.42 4 122 3 30 123 3.6 36 124 2.2 22 130 0.32 3 132 10.6 106 133 12.5 125 134 8.7 87 135 1.77 18 136 3.8 38 137 10.3 103 141 5.2 52 143 0.62 6 145 3 30 151 2.3 23 159 3.4 34 160 0.86 9 161 2.1 21 162 3.1 31 165 2.5 25 167 0.37 4 169 4.5 45 171 2.7 27 183 2.5 25 194 0.88 9 195 4.2 42 196 5.1 51 197 2.3 23 217 0.24 2 219 2.4 24 230 9 90 231 2.4 24 232 0.78 8 235 15.5 155 236 7.3 73 238 11.9 119 239 1.42 14 240 7 70 241 4.8 48 242 2.5 25 264 0.58 6 265 3 30 266 7.5 75 267 2.9 29 268 0.35 4 270 28.5 285 272 52.8 528 274 45 450 275 0.23 2 276 15.9 159 278 4.5 45 335 5.2 52 337 0.88 9 339 5.8 58 341 3 30 370 2.2 22 372 0.36 4 374 3.5 35 376 2.2 22 //