ACCESSION: MSBNK-MSSJ-MSJ01054
RECORD_TITLE: d-alpha-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$NAME: d-alpha-BHC
CH$NAME: (1a,2a,3b,4a,5b,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 16740741
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 7.58 min

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

PK$SPLASH: splash10-00lr-4930000000-3fb7e40e7df10ea2a6e3
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  40 8 8
  47 12 12
  48 9 9
  49 17 17
  50 29 29
  51 334 334
  52 58 58
  53 9 9
  54 5 5
  55 36 36
  56 42 42
  57 9 9
  60 16 16
  61 86 86
  62 24 24
  63 64 64
  65 11 11
  72 19 19
  73 189 189
  74 116 116
  75 251 251
  76 40 40
  77 386 386
  78 263 263
  79 17 17
  83 184 184
  84 21 21
  85 240 240
  86 27 27
  87 159 159
  88 12 12
  89 35 35
  91 17 17
  95 16 16
  96 72 72
  97 27 27
  98 48 48
  99 62 62
  100 19 19
  101 18 18
  107 15 15
  108 6 6
  109 245 245
  110 32 32
  111 693 693
  112 166 166
  113 240 240
  114 50 50
  115 21 21
  119 13 13
  120 5 5
  121 124 124
  122 83 83
  123 76 76
  124 56 56
  125 16 16
  126 8 8
  131 13 13
  133 58 58
  134 31 31
  135 51 51
  136 19 19
  137 15 15
  143 70 70
  144 8 8
  145 268 268
  146 210 210
  147 401 401
  148 165 165
  149 197 197
  150 37 37
  151 28 28
  155 7 7
  156 122 122
  157 35 35
  158 111 111
  159 29 29
  160 38 38
  161 8 8
  162 5 5
  168 6 6
  169 30 30
  170 5 5
  171 29 29
  173 8 8
  180 13 13
  181 999 999
  182 92 92
  183 985 985
  184 76 76
  185 316 316
  186 26 26
  187 40 40
  216 51 51
  217 708 708
  218 102 102
  219 901 901
  220 9 9
  221 440 440
  222 9 9
  223 96 96
  224 17 17
  225 4 4
  228 3 3
  229 10 10
  252 24 24
  254 43 43
  256 21 21
  258 9 9
//