ACCESSION: MSBNK-MSSJ-MSJ01059
RECORD_TITLE: delta-BHC; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.21)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: delta-BHC
CH$NAME: (1a,2a,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₆H₆Cl₆
CH$EXACT_MASS: 287.86007
CH$SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl
CH$IUPAC: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-
CH$LINK: CHEMSPIDER 10430682
CH$LINK: INCHIKEY JLYXXMFPNIAWKQ-GPIVLXJGSA-N
CH$LINK: COMPTOX DTXSID5024134

AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: GC-EI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min)
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C
AC$CHROMATOGRAPHY: RETENTION_TIME 8.62 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 287.86

PK$SPLASH: splash10-00lr-4930000000-1c15df25270620189e20
PK$NUM_PEAK: 114
PK$PEAK: m/z int. rel.int.
  40 8 8
  43 13 13
  47 18 18
  48 13 13
  49 108 108
  50 270 270
  51 453 453
  52 84 84
  53 10 10
  54 10 10
  55 35 35
  56 62 62
  57 21 21
  60 23 23
  61 113 113
  62 47 47
  63 74 74
  64 8 8
  65 12 12
  71 5 5
  72 23 23
  73 247 247
  74 165 165
  75 356 356
  76 52 52
  77 586 586
  78 395 395
  79 25 25
  83 274 274
  84 34 34
  85 333 333
  86 50 50
  87 217 217
  88 23 23
  89 43 43
  90 13 13
  91 9 9
  92 6 6
  95 21 21
  96 96 96
  97 33 33
  98 68 68
  99 80 80
  100 27 27
  101 29 29
  102 7 7
  107 17 17
  108 10 10
  109 354 354
  110 53 53
  111 988 988
  112 354 354
  113 349 349
  114 101 101
  115 40 40
  117 8 8
  119 21 21
  120 7 7
  121 183 183
  122 151 151
  123 105 105
  124 90 90
  125 20 20
  126 16 16
  131 17 17
  133 71 71
  134 44 44
  135 81 81
  136 23 23
  137 27 27
  138 5 5
  143 94 94
  144 13 13
  145 307 307
  146 258 258
  147 590 590
  148 208 208
  149 308 308
  150 55 55
  151 44 44
  152 5 5
  155 10 10
  156 132 132
  157 66 66
  158 122 122
  159 59 59
  160 39 39
  161 12 12
  168 8 8
  169 27 27
  170 5 5
  171 21 21
  173 5 5
  180 20 20
  181 999 999
  182 94 94
  183 988 988
  184 92 92
  185 322 322
  186 33 33
  187 39 39
  216 158 158
  217 711 711
  218 276 276
  219 903 903
  220 177 177
  221 440 440
  222 54 54
  223 101 101
  224 10 10
  252 53 53
  254 88 88
  256 28 28
  258 16 16
//