ACCESSION: MSBNK-MSSJ-MSJ01056
RECORD_TITLE: beta-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$NAME: beta-BHC
CH$NAME: (1a,2b,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 10468512
CH$LINK: INCHIKEY JLYXXMFPNIAWKQ-CDRYSYESSA-N
CH$LINK: COMPTOX DTXSID7020685

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 8.06 min

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

PK$SPLASH: splash10-07cr-4920000000-cceb62b1188d00a943e6
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  40 9 9
  43 5 5
  44 6 6
  47 5 5
  48 11 11
  49 94 94
  50 229 229
  51 387 387
  52 85 85
  53 9 9
  54 6 6
  55 34 34
  56 45 45
  57 10 10
  60 24 24
  61 116 116
  62 34 34
  63 68 68
  64 7 7
  65 12 12
  72 20 20
  73 227 227
  74 137 137
  75 295 295
  76 48 48
  77 469 469
  78 400 400
  79 24 24
  83 261 261
  84 31 31
  85 310 310
  86 40 40
  87 216 216
  88 17 17
  89 46 46
  90 7 7
  91 5 5
  95 20 20
  96 96 96
  97 31 31
  98 72 72
  99 87 87
  100 31 31
  101 27 27
  102 6 6
  107 14 14
  108 9 9
  109 999 999
  110 47 47
  111 950 950
  112 188 188
  113 310 310
  114 63 63
  115 36 36
  117 5 5
  119 18 18
  120 6 6
  121 154 154
  122 159 159
  123 103 103
  124 98 98
  125 21 21
  126 17 17
  131 14 14
  133 72 72
  134 33 33
  135 84 84
  136 22 22
  137 30 30
  143 96 96
  144 14 14
  145 289 289
  146 201 201
  147 522 522
  148 172 172
  149 257 257
  150 50 50
  151 37 37
  155 9 9
  156 68 68
  157 52 52
  158 65 65
  159 50 50
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  161 13 13
  168 4 4
  169 33 33
  170 6 6
  171 40 40
  173 8 8
  180 14 14
  181 926 926
  182 86 86
  183 895 895
  184 80 80
  185 310 310
  186 21 21
  187 38 38
  207 5 5
  210 20 20
  216 30 30
  217 668 668
  218 90 90
  219 834 834
  220 72 72
  221 405 405
  222 30 30
  223 95 95
  224 6 6
  252 60 60
  253 7 7
  254 98 98
  255 7 7
  256 60 60
  257 6 6
  258 19 19
  288 10 10
  290 17 17
  292 8 8
//