ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY FRCCEHPWNOQAEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020679
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
//
